# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-10T04:29:59+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P n m a' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000037","8.884","0.004","5.458","0.003","7.153","0.003","90","","90","","90","","346.8","","","","","","","","","","","","from Cow Green Mine, Teesdale, Durham, England","3","P n m a","-P 2ac 2n","62","","Barium sulfate","Barite","- Ba O4 S -","- Ba O4 S -","- Ba4 O16 S4 -","4","0.5","","Colville, A A; Staudhammer, K","A Refinement of the Structure of Barite","American Mineralogist","1967","52","","1877","1880","","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1000095","13.723","0.005","6.314","0.002","16.139","0.004","90","","90","","90","","1398.4","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Sodium vanadium phosphate hydroxide (2.6/4/4/1)","","- H Na2.57 O18 P4 V4 -","- H Na2.57 O18 P4 V4 -","- H4 Na10.28 O72 P16 V16 -","4","0.5","","Le Bail, A; Leblanc, M; Amoros, P","Synthesis and crystal structure of Na~1+x~V~4~P~4~O~17~(OH) (x=1.44)","Journal of Solid State Chemistry","1990","87","","178","185","10.1016/0022-4596(90)90080-H","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000097","6.1791","0.0014","8.8786","0.0006","6.1655","0.0014","90","","90","","90","","338.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium trifluorocadmate - low","","- Cd F3 H4 N -","- Cd F3 H4 N -","- Cd4 F12 H16 N4 -","4","0.5","","Le Bail, A.; Fourquet, J. L.; Rubin, J.; Palacios, E.; Bartolome, J.","NH~4~CdF~3~: Structure of the low temperature phase","Physica B: Condensed Matter","1990","162","3","231","236","10.1016/0921-4526(90)90017-O","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1000107","10.5576","0.0006","6.75","0.0004","17.5954","0.0009","90","","90","","90","","1253.9","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Caesium tetrafluoroaluminate - $-gamma","","- Al Cs F4 -","- Al Cs F4 -","- Al12 Cs12 F48 -","12","1.5","","Bentrup, U; Le Bail, A; Duroy, H; Fourquet, J L","Polymorphism of CsAlF~4~.Synthesis and structure of two new crystalline forms","European Journal of Solid State Inorganic Chemistry","1992","29","","371","381","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000112","9.7689","0.0006","2.9212","0.0002","4.6745","0.0004","90","","90","","90","","133.4","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Hydrogen titanium oxide (0.6/0.9/2)","","- H0.572 O2 Ti0.858 -","- H0.5714 O2 Ti0.8571 -","- H2.2856 O8 Ti3.4284 -","4","0.5","","Le Bail, A; Fourquet, J L","Crystal structure and thermal behaviour of H~2~Ti~3~O~7~: a new defective ramsdellite form from Li^+^/H^+^ exchange on Li~2~Ti~3~O~7~","Materials Research Bulletin","1992","27","","75","85","10.1016/0025-5408(92)90045-2","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000150","9.7401","0.0001","5.6147","0.0001","11.8871","0.0001","90","","90","","90","","650.1","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dibarium zirconium fluoride - α","","- Ba2 F8 Zr -","- Ba2 F8 Zr -","- Ba8 F32 Zr4 -","4","0.5","","Le Bail, A.; Laval, J.-P.","Synthesis and crystal structure of α-Ba~2~ZrF~8~ and Pb~2~ZrF~8~ determined ab initio from synchrotron and neutron powder diffraction data","European Journal of Solid State and Inorganic Chemistry","1998","35","4-5","357","372","10.1016/S0992-4361(98)80432-3","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","182183","2020-10-21","18:00:00",""
"1000151","9.7426","0.0003","5.6157","0.0002","11.8877","0.0003","90","","90","","90","","650.4","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dibarium zirconium fluoride - α","","- Ba2 F8 Zr -","- Ba2 F8 Zr -","- Ba8 F32 Zr4 -","4","0.5","","Le Bail, A.; Laval, J.-P.","Synthesis and crystal structure of α-Ba~2~ZrF~8~ and Pb~2~ZrF~8~ determined ab initio from synchrotron and neutron powder diffraction data","European Journal of Solid State and Inorganic Chemistry","1998","35","4-5","357","372","10.1016/S0992-4361(98)80432-3","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","182183","2020-10-21","18:00:00",""
"1000152","9.7401","0.0002","5.6167","0.0001","11.8839","0.0003","90","","90","","90","","650.1","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dibarium zirconium fluoride - α","","- Ba2 F8 Zr -","- Ba2 F8 Zr -","- Ba8 F32 Zr4 -","4","0.5","","Le Bail, A.; Laval, J.-P.","Synthesis and crystal structure of α-Ba~2~ZrF~8~ and Pb~2~ZrF~8~ determined ab initio from synchrotron and neutron powder diffraction data","European Journal of Solid State and Inorganic Chemistry","1998","35","4-5","357","372","10.1016/S0992-4361(98)80432-3","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","182183","2020-10-21","18:00:00",""
"1000153","9.7472","0.0002","5.6173","0.0001","11.8995","0.0003","90","","90","","90","","651.5","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dibarium zirconium fluoride - α","","- Ba2 F8 Zr -","- Ba2 F8 Zr -","- Ba8 F32 Zr4 -","4","0.5","","Le Bail, A.; Laval, J.-P.","Synthesis and crystal structure of α-Ba~2~ZrF~8~ and Pb~2~ZrF~8~ determined ab initio from synchrotron and neutron powder diffraction data","European Journal of Solid State and Inorganic Chemistry","1998","35","4-5","357","372","10.1016/S0992-4361(98)80432-3","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","182183","2020-10-21","18:00:00",""
"1000154","10.08","0.0003","5.3262","0.0001","11.6637","0.0003","90","","90","","90","","626.2","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dilead zirconium fluoride","","- F8 Pb2 Zr -","- F8 Pb2 Zr -","- F32 Pb8 Zr4 -","4","0.5","","Le Bail, A.; Laval, J.-P.","Synthesis and crystal structure of α-Ba~2~ZrF~8~ and Pb~2~ZrF~8~ determined ab initio from synchrotron and neutron powder diffraction data","European Journal of Solid State and Inorganic Chemistry","1998","35","4-5","357","372","10.1016/S0992-4361(98)80432-3","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","182183","2020-10-21","18:00:00",""
"1000161","7.515","0.005","5.724","0.005","11.985","0.006","90","","90","","90","","515.5","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rubidium pentafluorochromate(III)","","- Cr F5 Rb2 -","- Cr F5 Rb2 -","- Cr4 F20 Rb8 -","4","0.5","","Jacoboni, C; de Pape, R; Poulain, M; le Marouille, J Y; Grandjean, D","La structure cristalline de Rb~2~ Cr F~5~","Acta Crystallographica B (24,1968-38,1982)","1974","30","","2688","2691","10.1107/S0567740874007813","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000174","7.045","0.004","7.454","0.004","10.116","0.006","90","","90","","90","","531.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium iron iron(III) fluoride","","- F6 Fe2 H4 N -","- F6 Fe2 H4 N -","- F24 Fe8 H16 N4 -","4","0.5","","Ferey, G; le Blanc, M; de Pape, R","Crystal Structure of the Ordered Pyrochlore N H~4~ Fe(II) Fe(III) F~6~ Structural Correlations with Fe~2~ F~5~ (H~2~ O)~2~ and Its Dehydration Product Fe~2~ F~5~ H~2~ O","Journal of Solid State Chemistry","1981","40","","1","7","10.1016/0022-4596(81)90352-2","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000206","7.559","0.004","7.575","0.004","12.754","0.008","90","","90","","90","","730.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium tetrafluoroferrate(III)","","- F4 Fe H4 N -","- F4 Fe H0.5 N -","- F32 Fe8 H4 N8 -","8","1","","Leblanc, M; Ferey, G; Pape, R","Room-Temperature Structure of Ammonium Tetrafluorate(III), N H~4~ (Fe F~4~)","Acta Crystallographica C (39,1983-)","1985","41","","657","660","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000272","12.211","0.007","7.496","0.002","7.635","0.003","90","","90","","90","","698.9","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Potassium tetrafluorogallate","","- F4 Ga K -","- F4 Ga K -","- F32 Ga8 K8 -","8","1","","Courbion, G; Randrianohavy, J V; Rousseau, J J","ESR Study of Cr^3+^ and Fe^3+^ Ions in K Ga F~4~ Single Crystals","Journal of Solid State Chemistry","1989","81","","285","292","10.1016/0022-4596(89)90016-9","","","","","","0.0256","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000284","13.207","0.002","5.68","0.002","10.321","0.002","90","","90","","90","","774.2","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dibarium diyttrium copper platinum(IV) oxide","","- Ba2 Cu O8 Pt Y2 -","- Ba2 Cu O8 Pt Y2 -","- Ba8 Cu4 O32 Pt4 Y8 -","4","0.5","","Laligant, Y; Ferey, G; Hervieu, M; Raveau, B","Synthesis and Single-Crystal Refinement of Ba~2~ Y~2~ Cu Pt O~8~","Europhysics Letters","1987","4","","1023","1029","10.1209/0295-5075/4/9/012","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000288","19.706","0.002","5.599","0.001","15.173","0.002","90","","90","","90","","1674.1","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tribarium aluminium fluoride","","- Al Ba3 F9 -","- Al Ba3 F9 -","- Al8 Ba24 F72 -","8","1","","Renaudin, A; Ferey, G; Kozak, A de; Samouel, M","Polymorphic Ba~3~AlF~9~ : crystal structure of form I","European Journal of Solid State Inorganic Chemistry","1990","27","","571","580","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000329","10.063","0.009","5.567","0.006","14.88","0.01","90","","90","","90","","833.6","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tribarium hexafluoroaluminate trifluoride - Ib","","- Al Ba3 F9 -","- Al Ba3 F9 -","- Al4 Ba12 F36 -","4","0.5","","Renaudin, J; Ferey, G; de Kozak, A; Samouel, M","Crystal structure of a polytypic form of Ba~3~AlF~9~(form Ib)","European Journal of Solid State Inorganic Chemistry","1991","28","","373","381","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000412","20.04999","0.01","7.291","0.005","7.834","0.005","90","","90","","90","","1145.2","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Diguanidinium aluminium pentafluoride dihydrate","","- C2 H16 Al F5 N6 O2 -","- C2 H16 Al F5 N6 O2 -","- C8 H64 Al4 F20 N24 O8 -","4","0.5","","Fourquet, J L; Plet, F; De Pape, R","La structure cristalline de (C (N H2)3)2 Al F5 (H2 O)2","Revue de Chimie Minerale","1986","23","","183","190","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1000419","12.506","0.001","3.6406","0.0006","9.902","0.001","90","","90","","90","","450.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sodium cadmium pentafluoroaluminate fluoride","","- Al Cd F6 Na -","- Al Cd F6 Na -","- Al4 Cd4 F24 Na4 -","4","0.5","","Hemon, A; Courbion, G","Na Cd Al F6: a new structure with (Al F5)n(2n-) chains and ""independent F(-)""","Journal of Solid State Chemistry","1990","86","","249","254","10.1016/0022-4596(90)90140-S","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000426","7.525","0.007","5.9","0.003","9.64","0.005","90","","90","","90","","428","","","","","","","","","","","","synthetic at 773K, 180 MPa, 72 h","6","P n m a","-P 2ac 2n","62","","Lead iron copper oxide vanadate hydroxide (2.9/1.1/4/1.6/4/2)","Mottramite","- Cu4 Fe1.12 H2 O19.6 Pb2.88 V4 -","- Cu4 Fe1.12 H2 O19.6 Pb2.88 V4 -","- Cu4 Fe1.12 H2 O19.6 Pb2.88 V4 -","1","0.125","","Permer, L; Laligant, Y; Ferey, G","Crystal structure of (Pb2.8 Fe1.2) Cu4 O1.6 (V O4)4 (O H)2 ; structural relationships with mineral gamagarite","European Journal of Solid State Inorganic Chemistry","1993","30","","383","392","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000445","6.3385","0.0003","7.6191","0.0002","11.0298","0.0004","90","","90","","90","","532.7","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Diammonium catena-pentafluoroferrate(III) - $-beta","","- F5 Fe H8 N2 -","- F5 Fe H8 N2 -","- F20 Fe4 H32 N8 -","4","0.5","","Croguennec, L; Deniard, P; Brec, R; Couzi, M; Sourisseau, C; Fourquet, J L; Calage, Y","Structural and spectroscopic evidence for hydrogen bonding induced (N H4)(+) cation ordering in $-beta-(N H4)2 Fe F5 at low temperature","Journal of Solid State Chemistry","1997","131","","189","197","10.1006/jssc.1997.7269","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000446","6.3269","0.0005","7.6076","0.0002","10.9802","0.0009","90","","90","","90","","528.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Diammonium catena-pentafluoroferrate(III) - $-beta","","- F5 Fe H8 N2 -","- F5 Fe H14 N2 -","- F20 Fe4 H56 N8 -","4","0.5","","Croguennec, L; Deniard, P; Brec, R; Couzi, M; Sourisseau, C; Fourquet, J L; Calage, Y","Structural and spectroscopic evidence for hydrogen bonding induced (N H4)(+) cation ordering in $-beta-(N H4)2 Fe F5 at low temperature","Journal of Solid State Chemistry","1997","131","","189","197","10.1006/jssc.1997.7269","","","","","","0.013","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001081","6.447","","3.797","","18.431","","90","","90","","90","","451.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Potassium titanium niobium oxide","","- K Nb O5 Ti -","- K Nb O5 Ti -","- K4 Nb4 O20 Ti4 -","4","0.5","","Rebbah, A; Desgardin, G; Raveau, B","Nonstoichiometric oxides with a layer structure: The compounds A~1- x~(Ti~1-x~ M~1+x~) O~5~","Journal of Solid State Chemistry","1980","31","","321","328","10.1016/0022-4596(80)90094-8","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001082","6.474","","3.8","","18.765","","90","","90","","90","","461.6","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Potassium titanium niobium oxide (0.9/0.9/1.2/5)","","- K0.85 Nb1.15 O5 Ti0.85 -","- K0.85 Nb1.15 O5 Ti0.85 -","- K3.4 Nb4.6 O20 Ti3.4 -","4","0.5","","Rebbah, A; Desgardin, G; Raveau, B","Nonstoichiometric oxides with a layer structure: The compounds A~1-x~ (Ti~1-x~ M~1+x~) O~5~","Journal of Solid State Chemistry","1980","31","","321","328","10.1016/0022-4596(80)90094-8","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001083","6.472","","3.814","","18.943","","90","","90","","90","","467.6","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Rubidium titanium niobium oxide","","- Nb O5 Rb Ti -","- Nb O5 Rb Ti -","- Nb4 O20 Rb4 Ti4 -","4","0.5","","Rebbah, A; Desgardin, G; Raveau, B","Nonstoichiometric oxides with a layer structure: The compounds A~1-x~ (Ti~1-x~ M~1+x~) O~5~","Journal of Solid State Chemistry","1980","31","","321","328","10.1016/0022-4596(80)90094-8","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001084","6.499","","3.812","","19.36","","90","","90","","90","","479.6","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Rubidium titanium niobium oxide (0.9/0.9/1.2/5)","","- Nb1.15 O5 Rb0.85 Ti0.85 -","- Nb1.15 O5 Rb0.85 Ti0.85 -","- Nb4.6 O20 Rb3.4 Ti3.4 -","4","0.5","","Rebbah, A; Desgardin, G; Raveau, B","Nonstoichiometric oxides with a layer structure: The compounds A~1-x~ (Ti~1-x~ M~1+x~) O~5~","Journal of Solid State Chemistry","1980","31","","321","328","10.1016/0022-4596(80)90094-8","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001085","6.456","","3.806","","18.844","","90","","90","","90","","463","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Thallium titanium niobium oxide","","- Nb O5 Ti Tl -","- Nb O5 Ti Tl -","- Nb4 O20 Ti4 Tl4 -","4","0.5","","Rebbah, A; Desgardin, G; Raveau, B","Nonstoichiometric oxides with a layer structure: The comnounds A~1-x~ (Ti~1-x~ M~1+x~) O~5~","Journal of Solid State Chemistry","1980","31","","321","328","10.1016/0022-4596(80)90094-8","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001086","6.457","","3.799","","18.919","","90","","90","","90","","464.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Thallium titanium niobium oxide (.9/.9/1.1/5)","","- Nb1.1 O5 Ti0.9 Tl0.9 -","- Nb1.1 O5 Ti0.9 Tl0.9 -","- Nb4.4 O20 Ti3.6 Tl3.6 -","4","0.5","","Rebbah, A; Desgardin, G; Raveau, B","Nonstoichiometric oxides with a layer structure: The comoounds A~1-x~ (Ti~1-x~ M~1+x~) O~5~","Journal of Solid State Chemistry","1980","31","","321","328","10.1016/0022-4596(80)90094-8","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001087","6.437","","3.797","","18.474","","90","","90","","90","","451.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Potassium titanium tantalum oxide","","- K O5 Ta Ti -","- K O5 Ta Ti -","- K4 O20 Ta4 Ti4 -","4","0.5","","Rebbah, A; Desgardin, G; Raveau, B","Nonstoichiometric oxides with a layer structure: The compounds A~1-x~ (Ti~1-x~ M~1+x~) O~5~","Journal of Solid State Chemistry","1980","31","","321","328","10.1016/0022-4596(80)90094-8","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001088","6.451","","3.812","","19","","90","","90","","90","","467.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Rubidium titanium tantalum oxide","","- O5 Rb Ta Ti -","- O5 Rb Ta Ti -","- O20 Rb4 Ta4 Ti4 -","4","0.5","","Rebbah, A; Desgardin, G; Raveau, B","Nonstoichiometric oxides with a layer structure: The compounds A~1-x~ (Ti~1-x~ M~1+x~) O~5~","Journal of Solid State Chemistry","1980","31","","321","328","10.1016/0022-4596(80)90094-8","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001205","6.521","0.002","3.773","0.001","16.656","0.004","90","","90","","90","","409.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Hydrogen titanium niobium oxide","","- H Nb O5 Ti -","- H Nb O5 Ti -","- H4 Nb4 O20 Ti4 -","4","0.5","","Rebbah, A; Pannetier, J; Raveau, B","Localization of Hydrogen in the Layer Oxide H Ti Nb O~5~","Journal of Solid State Chemistry","1982","41","","57","62","10.1016/0022-4596(82)90034-2","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001206","6.534","0.003","3.777","0.001","16.675","0.009","90","","90","","90","","411.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Hydrogen titanium niobium oxide","","- H Nb O5 Ti -","- H Nb O5 Ti -","- H4 Nb4 O20 Ti4 -","4","0.5","","Rebbah, A; Pannetier, J; Raveau, B","Localization of Hydrogen in the Layer Oxide H Ti Nb O~5~","Journal of Solid State Chemistry","1982","41","","57","62","10.1016/0022-4596(82)90034-2","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001207","6.534","0.004","3.776","0.002","16.677","0.011","90","","90","","90","","411.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Deuterium titanium niobium oxide","","- D Nb O5 Ti -","- D Nb O5 Ti -","- D4 Nb4 O20 Ti4 -","4","0.5","","Rebbah, A; Pannetier, J; Raveau, B","Localization of Hydrogen in the Layer Oxide H Ti Nb O~5~","Journal of Solid State Chemistry","1982","41","","57","62","10.1016/0022-4596(82)90034-2","","","","","","0.119","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001280","6.444","0.004","3.801","0.001","18.86","0.01","90","","90","","90","","462","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","THALLIUM TANTALUM TITANIUM OXIDE","","- O5 Ta Ti Tl -","- O5 Ta Ti Tl -","- O20 Ta4 Ti4 Tl4 -","4","0.5","","Rebbah, A; Desgardin, G; Raveau, B","Les oxydes A Ti M O~5~: echangeures cationiques","Materials Research Bulletin","1979","14","","1125","1131","10.1016/0025-5408(79)90206-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001372","10.384","0.001","7.122","0.0008","5.5933","0.0006","90","","90","","90","","413.7","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sodium silver molybenum oxide -II","","- Ag Mo Na O4 -","- Ag Mo Na O4 -","- Ag4 Mo4 Na4 O16 -","4","0.5","","Rulmont, A; Tarte, P; Foumakoye, G; Fransolet, A M; Choisnet, J","The disordered Spinel Na Ag Mo O~4~ and Its High Temperature, Ordered Orthorhombic Polymorph","Journal of Solid State Chemistry","1988","76","","18","25","10.1016/0022-4596(88)90188-0","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001386","11.86","0.003","5.516","0.001","6.928","0.001","90","","90","","90","","453.2","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tantalum vanadium oxide","","- O5 Ta V -","- O5 Ta V -","- O20 Ta4 V4 -","4","0.5","","Chahboun, H; Groult, D; Raveau, B","Ta V O~5~, a novel derivative of the series of monophosphate tungsten bronzes (P O~2~)~4~ (W O~3~)~2m~","Materials Research Bulletin","1988","23","","805","812","10.1016/0025-5408(88)90073-6","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001441","14.7484","0.0009","31.582","0.002","9.3859","0.0006","90","","90","","90","","4371.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Tripotassium hexaniobium tetraphosphate","","- K3 Nb6 O26 P4 -","- K3 Nb6 O26 P4 -","- K24 Nb48 O208 P32 -","8","1","","Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","A novel niobium phosphate bronze with a tunnel structure, K~3~Nb~6~P~4~O~26~, member n=infinity of the series (K~3~Nb~6~P~4~O~26~)n . KNb~2~PO~8~","Journal of Solid State Chemistry","1990","84","","365","374","10.1016/0022-4596(90)90334-T","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001498","7.0656","0.0004","13.4988","0.0008","14.4198","0.0009","90","","90","","90","","1375.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Rubidium tecto-vanadatophosphate *","","- O31 P6 Rb6 V6 -","- O31 P6 Rb6 V6 -","- O62 P12 Rb12 V12 -","2","0.25","","Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Raveau, B","A mixed valence vanadium phosphate with a tunnel structure: Rb~6~V~6~P~6~O~31~","Journal of Solid State Chemistry","1991","94","","274","280","10.1016/0022-4596(91)90192-K","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001603","10.084","0.001","21.297","0.003","17.491","0.001","90","","90","","90","","3756.3","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Hexacaesium tecto-pentamolybdo(V)dimolybdo(IV)heptaphosphate hydrate","","- Cs6 H2 Mo7 O38 P7 -","- Cs6 H3 Mo7 O38 P7 -","- Cs24 H12 Mo28 O152 P28 -","4","0.5","","Guesdon, A; Borel, M M; Leclaire, A; Grandin, A; Raveau, B","A mixed-valent molybdenum monophosphate with a ""butterfly""-shaped tunnel structure Cs~6~Mo~7~O~9~(PO~4~)~7~ . H~2~O","Journal of Solid State Chemistry","1994","111","","315","321","10.1006/jssc.1994.1233","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001605","14.308","0.002","6.318","0.001","7.248","0.001","90","","90","","90","","655.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cadmium tecto-divanadatodiphosphate","","- Cd O9 P2 V2 -","- Cd O9 P2 V2 -","- Cd4 O36 P8 V8 -","4","0.5","","Boudin, S; Grandin, A; Borel, M M; Leclaire, A; Raveau, B","A vanadium(III) monophosphate built up from rutile chains: CdV~2~O(PO~4~)~2~","Journal of Solid State Chemistry","1994","111","","380","384","10.1006/jssc.1994.1242","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001622","13.815","0.001","15.884","0.002","12.675","0.002","90","","90","","90","","2781.4","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Rubidium tecto-phosphatodiniobate","","- Nb2 O8 P Rb -","- Nb2 O8 P Rb -","- Nb32 O128 P16 Rb16 -","16","2","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","The phosphoniobate RbNb~2~PO~8~: An ordered sbstitution of PO~4~ tetrahedra for NbO~6~ octahedra in the HTB structure","Journal of Solid State Chemistry","1994","110","","256","263","10.1006/jssc.1994.1167","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001625","13.144","0.005","8.102","0.002","7.082","0.003","90","","90","","90","","754.2","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tricadmium arsenide trichloride","","- As Cd3 Cl3 -","- As Cd3 Cl3 -","- As4 Cd12 Cl12 -","4","0.5","","Rebbah, A; Yazbeck, J; Deschanvres, A","Structure de Cd3 As Cl3 et Donnees Cristallographiques de Cd3 P Cl3","Acta Crystallographica B (24,1968-38,1982)","1980","36","","1744","1746","10.1107/S0567740880007145","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001651","7.747","0.001","11.149","0.001","7.611","0.001","90","","90","","90","","657.4","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Trilanthanum catena-pentaoxoniobate dioxide","","- La3 Nb O7 -","- La3 Nb O7 -","- La12 Nb4 O28 -","4","0.5","","Kahn-Harari, A; Mazerolles, L; Michel, D; Robert, F","Structural description of La3 Nb O7","Journal of Solid State Chemistry","1995","116","","103","106","10.1006/jssc.1995.1189","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001656","14.192","0.001","6.424","0.001","7.317","0.001","90","","90","","90","","667.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Calcium divanadium(III) oxide diphosphate","","- Ca O9 P2 V2 -","- Ca O9 P2 V2 -","- Ca4 O36 P8 V8 -","4","0.5","","Boudin, S; Grandin, A; Leclaire, A; Borel, M - M; Raveau, B","Ca V2 O (P O4)2, isotypic with the Cd phase","Acta Crystallographica C (39,1983-)","1995","51","","796","798","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001722","10.934","","7.572","","5.446","","90","","90","","90","","450.9","","","","","","","","","","","","synthetic","4","P n m a","-P 2ac 2n","62","","Lanthanum niobium titanium oxide","Aeschynite (La)","- La Nb O6 Ti -","- La Nb O6 Ti -","- La4 Nb4 O24 Ti4 -","4","0.5","","Fauquier, D; Gasperin, M","Synthese de monocristaux et etude structurale de La Nb Ti O6","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1970","93","","258","259","","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001734","5.4599","0.0001","7.711","0.0001","5.466","0.0001","90","","90","","90","","230.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Neodymium strontium manganese oxide (0.7/0.3/1/3)","","- Mn Nd0.7 O3 Sr0.3 -","- Mn Nd0.7 O3 Sr0.3 -","- Mn4 Nd2.8 O12 Sr1.2 -","4","0.5","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001735","5.4708","0.0001","7.6708","0.0001","5.4254","0.0001","90","","90","","90","","227.7","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Neodymium strontium calcium manganese oxide (0.7/0.1/0.2/1/3)","","- Ca0.22 Mn Nd0.7 O3 Sr0.08 -","- Ca0.22 Mn Nd0.7 O3 Sr0.08 -","- Ca0.88 Mn4 Nd2.8 O12 Sr0.32 -","4","0.5","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001736","5.482","0.0001","7.6475","0.0001","5.4096","0.0001","90","","90","","90","","226.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Neodymium calcium manganese oxide (0.7/0.3/1/3)","","- Ca0.3 Mn Nd0.7 O3 -","- Ca0.3 Mn Nd0.7 O3 -","- Ca1.2 Mn4 Nd2.8 O12 -","4","0.5","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001737","5.4494","0.0001","7.6964","0.0001","5.4547","0.0001","90","","90","","90","","228.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Neodymium strontium manganese oxide (0.7/0.3/1/3)","","- Mn Nd0.7 O3 Sr0.3 -","- Mn Nd0.7 O3 Sr0.3 -","- Mn4 Nd2.8 O12 Sr1.2 -","4","0.5","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001738","5.4734","0.0001","7.6583","0.0001","5.4139","0.0001","90","","90","","90","","226.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Neodymium strontium calcium manganese oxide (0.7/0.1/0.2/1/3)","","- Ca0.22 Mn Nd0.7 O3 Sr0.08 -","- Ca0.22 Mn Nd0.7 O3 Sr0.08 -","- Ca0.88 Mn4 Nd2.8 O12 Sr0.32 -","4","0.5","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001748","14.22","0.001","6.5138","0.0006","7.5166","0.0008","90","","90","","90","","696.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Strontium divanadium(III) oxide bis(phosphate(V))","","- O9 P2 Sr V2 -","- O9 P2 Sr V2 -","- O36 P8 Sr4 V8 -","4","0.5","","Boudin, S; Grandin, A; Labbe, Ph; Provost, J; Raveau, B","The V(III) monophosphate series A V2 O (P O4)2 with A = Cd, Ca, Sr: structure and magnetism","Journal of Solid State Chemistry","1996","127","","325","330","10.1006/jssc.1996.0390","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004019","9.57","0.01","6.99","0.01","12.2","0.01","90","","90","","90","","816.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","AMMONIUM TETRATHIOMOLYBDATE","","- H8 Mo N2 S4 -","- H8 Mo N2 S4 -","- H32 Mo4 N8 S16 -","4","0.5","","Belougne, P; Chezeau, N; Lapasset, J","Nouvel affinement de la structure cristalline du thiomolybdate d'ammonium","Acta Crystallographica B (24,1968-38,1982)","1976","32","","3087","3088","10.1107/S056774087600959X","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004034","13.905","","9.952","","7.185","","90","","90","","90","","994.3","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium pentachloroaquaindate","","- Cl5 H2 In K2 O -","- Cl5 H2 In K2 O -","- Cl20 H8 In4 K8 O4 -","4","0.5","","Wignacourt, J P; Mairesse, G; Barbier, P","Potassium pentachloroindate monohydrate, K~2~ (In Cl~5~, H~2~ O)","Crystal Structure Communications","1976","5","","293","296","","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1004044","11.641","0.008","7.116","0.005","9.373","0.007","90","","90","","90","","776.4","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Caesium tetrachloroaluminate","","- Al Cl4 Cs -","- Al Cl4 Cs -","- Al4 Cl16 Cs4 -","4","0.5","","Mairesse, G; Barbier, P; Wignacourt, J P","Comparison of the crystal structures of alkaline (M = Li, Na, K, Rb, Cs) and Pseudo-alkaline (M = N O, N H~4~) Tetrachloroaluminates, M Al Cl~4~","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1573","1580","10.1107/S0567740879007160","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004060","10.411","0.008","7.055","0.003","9.461","0.005","90","","90","","90","","694.9","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Nitrosyl tetrachloroaluminate","","- Al Cl4 N O -","- Al Cl4 N O -","- Al4 Cl16 N4 O4 -","4","0.5","","Barbier, P; Mairesse, G; Wignacourt, J P; Baert, F","Nitrosyl tetrachloroaluminate N O Al Cl~4~","Crystal Structure Communications","1976","5","","633","637","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004065","11.022","0.006","7.072","0.003","9.257","0.005","90","","90","","90","","721.6","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","AMMONIUM TETRACHLOROALUMINATE","","- Al Cl4 H4 N -","- Al Cl4 H4 N -","- Al4 Cl16 H16 N4 -","4","0.5","","Mairesse, G; Barbier, P; Wignacourt, J P; Rubbens, A; Wallart, F","X-ray, Raman, infrared, and nuclear magnetic resonance studies of the crystal structure of ammonium tetrachloroaluminate, N H~4~ Al Cl~4~","Canadian Journal of Chemistry","1978","56","","764","771","10.1139/v78-127","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1004070","13.905","0.008","9.952","0.005","7.185","0.005","90","","90","","90","","994.3","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","DIPOTASSIUM PENTACHLOROAQUAINDATE","","- Cl5 H2 In K2 O -","- Cl5 H2 In K2 O -","- Cl20 H8 In4 K8 O4 -","4","0.5","","Wignacourt, J P; Lorriaux-Rubbens, A; Barbier, P; Mairesse, G; Wallart, F","Structural stdudy of K~2~ In Cl~5~, H~2~ O by X-Ray, Raman and IR spectroscopies","Spectrochimica Acta A, Molecular Spectroscopy","1980","36","","403","411","10.1016/0584-8539(80)80153-X","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004096","14.509","0.006","10.369","0.007","7.59","0.003","90","","90","","90","","1141.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium pentabromoindate hydrate","","- Br5 H2 In K2 O -","- Br5 H2 In K2 O -","- Br20 H8 In4 K8 O4 -","4","0.5","","Lornaux-Rubbens, A; Wignacourt, J P; Drache, M; Wallart, F","Investigations structurales des composes K~3-x~(InX~6- x~(H~2~O)~x~,nH~2~O). I. Etude cristallographique (X=Br); comparaison des distances indium-ligand (X=Cl,Br)","Journal de Chimie Physique et de Physico-Chimie Biologique","1991","88","","2041","2055","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1004105","11.776","0.001","5.173","0.0006","7.7903","0.0006","90","","90","","90","","474.6","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Bismuth dicopper phosphate(V) dioxide","","- Bi Cu2 O6 P -","- Bi Cu2 O6 P -","- Bi4 Cu8 O24 P4 -","4","0.5","","Abraham, F; Ketatni, M; Mairesse, G; Mernari, B","Crystal structure of a new bismuth copper oxyphosphate: Bi Cu2 P O6","European Journal of Solid State Inorganic Chemistry","1994","31","","313","323","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004110","13.139","0.004","10.413","0.006","9.239","0.006","90","","90","","90","","1264","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dipotassium tribismuth oxide tris(phosphate)","","- Bi3 K2 O13 P3 -","- Bi3 K2 O13 P3 -","- Bi12 K8 O52 P12 -","4","0.5","","Debreuille-Gresse, M F; Drache, M; Abraham, F","The crystal structure, phase transition, and dielectric properties of K2 Bi3 (P O4)3 O, a new oxyphosphate","Journal of Solid State Chemistry","1986","62","","351","359","10.1016/0022-4596(86)90250-1","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004111","13.302","0.004","10.506","0.007","9.24","0.005","90","","90","","90","","1291.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dipotassium tribismuth oxide tris(phosphate)","","- Bi3 K2 O13 P3 -","- Bi3 K2 O13 P3 -","- Bi12 K8 O52 P12 -","4","0.5","","Debreuille-Gresse, M F; Drache, M; Abraham, F","The crystal structure, phase transition, and dielectric properties of K2 Bi3 (P O4)3 O, a new oxyphosphate","Journal of Solid State Chemistry","1986","62","","351","359","10.1016/0022-4596(86)90250-1","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004125","5.93","0.004","9.079","0.01","11.473","0.006","90","","90","","90","","617.7","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dilead dioxophosphatobismuthate","","- Bi O6 P Pb2 -","- Bi O6 P Pb2 -","- Bi4 O24 P4 Pb8 -","4","0.5","","Mizrahi, A; Wignacourt, J-P; Steinfink, H","Pb2 Bi O2 P O4, a new oxyphosphate","Journal of Solid State Chemistry","1997","133","","516","521","10.1006/jssc.1997.7520","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005010","6.353","0.002","13.938","0.005","11.507","0.004","90","","90","","90","","1018.9","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Triniobium silicon hexatelluride","","- Nb3 Si Te6 -","- Nb3 Si Te6 -","- Nb12 Si4 Te24 -","4","0.5","","Li, J; Badding, M E; DiSalvo, F J","Synthesis and structure of Nb~3~SiTe~6~, a new layered ternary niobium telluride compound","Journal of Alloys Compd.","1992","184","","257","263","10.1016/0925-8388(92)90499-Y","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005018","17.75","0.003","5.66","0.0009","11.07","0.002","90","","90","","90","","1112.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Lanthanum molybdenum aluminum oxide (3/4.3/.7/14)","","- Al0.67 La3 Mo4.33 O14 -","- Al0.692 La3 Mo4.308 O14 -","- Al2.768 La12 Mo17.232 O56 -","4","0.5","","McCarroll, W H; Podejko, K; Cheetham, A K; Thomas, D M; DiSalvo, F J","The crystal structure of La3 Mo4.33 Al.67 O14 and the electronic structure of La3 Mo4 X O14 (X=Si, Mo1/3 Al2/3; Al1/2 V1/2)","Journal of Solid State Chemistry","1986","62","","241","252","10.1016/0022-4596(86)90237-9","","","","","","0.0343","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1005038","9.045","0.002","13.234","0.003","5.388","0.001","90","","90","","90","","645","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Strontium copper(I) nitride","","- Cu N Sr -","- Cu N Sr -","- Cu12 N12 Sr12 -","12","1.5","","DiSalvo, F J; Trail, S S; Yamane, H; Brese, N E","The crystal structure of Sr6 Cu3 N5 with isolated, bent (Cu(I)2 N3)(7-) anions and the single crystal structural determination of Sr Cu N","Journal of Alloys Compd.","1997","255","","122","129","10.1016/S0925-8388(96)02811-3","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006036","12.2003","0.0002","5.65845","0.00006","6.9745","0.0001","90","","90","","90","","481.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dithulium barium niccolate","","- Ba Ni O5 Tm2 -","- Ba Ni O5 Tm2 -","- Ba4 Ni4 O20 Tm8 -","4","0.5","","Salinas-Sanchez, A; Saez-Puche, R; Rodriguez-Carvajal, J; Martinez, J L","Structural characterization of R~2~BaNiO~5~ (R=Tm and Yb): polymorphism for R=Tm","Solid State Communications","1991","78","6","481","488","10.1016/0038-1098(91)90361-X","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006038","12.1583","0.0002","5.64232","0.00006","6.9545","0.0001","90","","90","","90","","477.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Diytterbium barium niccolate","","- Ba Ni O5 Yb2 -","- Ba Ni O5 Yb2 -","- Ba4 Ni4 O20 Yb8 -","4","0.5","","Salinas-Sanchez, A; Saez-Puche, R; Rodriguez-Carvajal, J; Martinez, J L","Structural characterization of R~2~BaNiO~5~ (R=Tm and Yb): polymorphism for R=Tm","Solid State Communications","1991","78","6","481","488","10.1016/0038-1098(91)90361-X","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006051","12.2061","0.0002","5.6732","0.0001","7.1355","0.0001","90","","90","","90","","494.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Didysprosium barium copper oxide","","- Ba Cu Dy2 O5 -","- Ba Cu Dy2 O5 -","- Ba4 Cu4 Dy8 O20 -","4","0.5","","Salinas-Sanchez, A; Garcia-Munoz, J L; Rodriguez-Carvajal, J; Saez-Puche, R; Martinez, J L","Structural characterization of R~2~BaCuO~5~ (R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction","Journal of Solid State Chemistry","1992","100","","201","211","10.1016/0022-4596(92)90094-C","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006052","12.1825","0.0001","5.663","0.0001","7.1336","0.0001","90","","90","","90","","492.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Diholmium barium copper oxide","","- Ba Cu Ho2 O5 -","- Ba Cu Ho2 O5 -","- Ba4 Cu4 Ho8 O20 -","4","0.5","","Salinas-Sanchez, A; Garcia-Munoz, J L; Rodriguez-Carvajal, J; Saez-Puche, R; Martinez, J L","Structural characterization of R~2~BaCuO~5~ (R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction","Journal of Solid State Chemistry","1992","100","","201","211","10.1016/0022-4596(92)90094-C","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006053","12.1792","0.0002","5.659","0.0001","7.1325","0.0001","90","","90","","90","","491.6","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Diyttrium barium copper oxide","","- Ba Cu O5 Y2 -","- Ba Cu O5 Y2 -","- Ba4 Cu4 O20 Y8 -","4","0.5","","Salinas-Sanchez, A; Garcia-Munoz, J L; Rodriguez-Carvajal, J; Saez-Puche, R; Martinez, J L","Structural characterization of R~2~BaCuO~5~ (R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction","Journal of Solid State Chemistry","1992","100","","201","211","10.1016/0022-4596(92)90094-C","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006054","12.1423","0.0002","5.6459","0.0001","7.1072","0.0001","90","","90","","90","","487.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dierbium barium copper oxide","","- Ba Cu Er2 O5 -","- Ba Cu Er2 O5 -","- Ba4 Cu4 Er8 O20 -","4","0.5","","Salinas-Sanchez, A; Garcia-Munoz, J L; Rodriguez-Carvajal, J; Saez-Puche, R; Martinez, J L","Structural characterization of R~2~BaCuO~5~ (R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction","Journal of Solid State Chemistry","1992","100","","201","211","10.1016/0022-4596(92)90094-C","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006055","12.1011","0.0002","5.6275","0.0001","7.0793","0.0001","90","","90","","90","","482.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dithulium barium copper oxide","","- Ba Cu O5 Tm2 -","- Ba Cu O5 Tm2 -","- Ba4 Cu4 O20 Tm8 -","4","0.5","","Salinas-Sanchez, A; Garcia-Munoz, J L; Rodriguez-Carvajal, J; Saez-Puche, R; Martinez, J L","Structural characterization of R~2~BaCuO~5~ (R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction","Journal of Solid State Chemistry","1992","100","","201","211","10.1016/0022-4596(92)90094-C","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006056","12.0652","0.0001","5.6152","0.0001","7.0569","0.0001","90","","90","","90","","478.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Diytterbium barium copper oxide","","- Ba Cu O5 Yb2 -","- Ba Cu O5 Yb2 -","- Ba4 Cu4 O20 Yb8 -","4","0.5","","Salinas-Sanchez, A; Garcia-Munoz, J L; Rodriguez-Carvajal, J; Saez-Puche, R; Martinez, J L","Structural characterization of R~2~BaCuO~5~ (R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction","Journal of Solid State Chemistry","1992","100","","201","211","10.1016/0022-4596(92)90094-C","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006057","12.0342","0.0002","5.6003","0.0001","7.0395","0.0001","90","","90","","90","","474.4","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dilutetium barium copper oxide","","- Ba Cu Lu2 O5 -","- Ba Cu Lu2 O5 -","- Ba4 Cu4 Lu8 O20 -","4","0.5","","Salinas-Sanchez, A; Garcia-Munoz, J L; Rodriguez-Carvajal, J; Saez-Puche, R; Martinez, J L","Structural characterization of R~2~BaCuO~5~ (R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction","Journal of Solid State Chemistry","1992","100","","201","211","10.1016/0022-4596(92)90094-C","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006061","12.2003","0.0002","5.6585","0.0001","6.9744","0.0001","90","","90","","90","","481.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dithulium barium nickel oxide","","- Ba Ni O5 Tm2 -","- Ba Ni O5 Tm2 -","- Ba4 Ni4 O20 Tm8 -","4","0.5","","Garcia-Matres, E; Rodriguez-Carvajal, J; Martinez, J L; Alonso, J A; Salinas-Sanchez, A; Saez-Puche, R","Polymorphism in the oxides R~2~NaNiO~5~ (R= Tm, Yb, Lu)","Solid State Ionics","1993","63","","915","921","","","","","","","0.0335","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006062","12.1581","0.0001","5.6423","0.0001","6.9545","0.0001","90","","90","","90","","477.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Diytterbium barium nickel oxide","","- Ba Ni O5 Yb2 -","- Ba Ni O5 Yb2 -","- Ba4 Ni4 O20 Yb8 -","4","0.5","","Garcia-Matres, E; Rodriguez-Carvajal, J; Martinez, J L; Alonso, J A; Salinas-Sanchez, A; Saez-Puche, R","Polymorphism in the oxides R~2~NaNiO~5~ (R= Tm, Yb, Lu)","Solid State Ionics","1993","63","","915","921","","","","","","","0.0267","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006081","5.952","0.001","8.543","0.001","5.949","0.001","90","","90","","90","","302.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium trifluoromanganate(II)","","- F3 H4 Mn N -","- F3 H8.0495 Mn N -","- F12 H32.198 Mn4 N4 -","4","0.5","","Rubin, J; Palacios, E; Bartolome, J; Rodriguez-Carvajal, J","A single-crystal neutron diffraction study of N H4 Mn F3","Journal of Physics: Condensed Matter","1995","7","","563","575","10.1088/0953-8984/7/3/011","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006082","5.952","0.001","8.543","0.001","5.949","0.001","90","","90","","90","","302.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium trifluoromanganate(II)","","- F3 H4 Mn N -","- F3 H8.037 Mn N -","- F12 H32.148 Mn4 N4 -","4","0.5","","Rubin, J; Palacios, E; Bartolome, J; Rodriguez-Carvajal, J","A single-crystal neutron diffraction study of N H4 Mn F3","Journal of Physics: Condensed Matter","1995","7","","563","575","10.1088/0953-8984/7/3/011","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006097","5.6262","0.0006","7.8396","0.0008","5.5702","0.0006","90","","90","","90","","245.7","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dilanthanum copper titanium oxide","","- Cu La2 O6 Ti -","- Cu0.992 La2 O6 Ti1.008 -","- Cu1.984 La4 O12 Ti2.016 -","2","0.25","","Palacin, M R; Bassas, J; Rodriguez-Carvajal, J; Gomez-Romero, P","Syntheses of the perovskite La2 Cu Ti O6 by the ceramic, oxide precursors and sol-gel methods, and study of the structure and Cu-Ti distribution by X-ray and neutron diffraction","Journal of Materials Chemistry","1993","3","3","1171","1177","10.1039/jm9930301171","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006098","13.5795","0.0007","9.7024","0.0007","7.0147","0.0003","90","","90","","90","","924.2","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium aquapentachloroferrate(III)","","- Cl5 Fe H2 K2 O -","- Cl5 Fe H2 K2 O -","- Cl20 Fe4 H8 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006099","13.5862","0.0009","9.7087","0.0005","7.0177","0.0005","90","","90","","90","","925.7","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe K2 O -","- Cl5 D2 Fe K2 O -","- Cl20 D8 Fe4 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006100","13.4653","0.0003","9.6132","0.0002","6.9836","0.0002","90","","90","","90","","904","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe K2 O -","- Cl5 D2 Fe K2 O -","- Cl20 D8 Fe4 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006101","13.4389","0.0003","9.6025","0.0002","6.9789","0.0002","90","","90","","90","","900.6","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe K2 O -","- Cl5 D2 Fe K2 O -","- Cl20 D8 Fe4 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006102","13.4391","0.0003","9.5981","0.0002","6.9797","0.0002","90","","90","","90","","900.3","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe K2 O -","- Cl5 D2 Fe K2 O -","- Cl20 D8 Fe4 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006103","13.8015","0.0002","9.9049","0.0001","7.0783","0.0001","90","","90","","90","","967.6","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe O Rb2 -","- Cl5 D2 Fe O Rb2 -","- Cl20 D8 Fe4 O4 Rb8 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006104","13.7101","0.0001","9.8517","0.0001","7.0255","0","90","","90","","90","","948.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe O Rb2 -","- Cl5 D2 Fe O Rb2 -","- Cl20 D8 Fe4 O4 Rb8 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006105","13.6798","0.0002","9.8507","0.0002","7.0069","0.0001","90","","90","","90","","944.2","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe O Rb2 -","- Cl5 D2 Fe O Rb2 -","- Cl20 D8 Fe4 O4 Rb8 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006106","13.6801","0.0002","9.8471","0.0002","7.0073","0.0001","90","","90","","90","","943.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe O Rb2 -","- Cl5 D2 Fe O Rb2 -","- Cl20 D8 Fe4 O4 Rb8 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006117","5.575","0.001","7.866","0.001","5.579","0.001","90","","90","","90","","244.7","","","","","","","","","","","","synthetic","4","P n m a","-P 2ac 2n","62","","Lanthanum copper titanium oxide (2/0.96/1.04/6)","Perovskite (La, Cu, Ti)","- Cu0.96 La2 O6 Ti1.04 -","- Cu0.96 La2 O6 Ti1.04 -","- Cu1.92 La4 O12 Ti2.08 -","2","0.25","","Palacin, M R; Bassas, J; Rodriguez-Carvajal, J; Fuertes, A; Casan-Pastor, N; Gomez-Romero, P","Studies of the formation and reduction of a mixed three-dimensional perovskite of copper and titanium","Materials Research Bulletin","1994","29","","973","980","10.1016/0025-5408(94)90058-2","","","","","","0.0524","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006163","12.1745","0.0002","5.6594","0.0001","6.9993","0.0001","90","","90","","90","","482.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Diytterbium barium cobalt oxide","","- Ba Co O5 Yb2 -","- Ba Co O5 Yb2 -","- Ba4 Co4 O20 Yb8 -","4","0.5","","Hernandez-Velasco, J; Saez-Puche, R; Rodriguez-Carvajal, J","Yb2 Ba Co O5 magnetic and crystal structure determination from neutron scattering","Journal of Alloys Compd.","1998","275","","651","656","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007000","16.05","0.01","12.33","0.01","10.87","0.01","90","0","90","0","90","0","2151.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","STRONTIUM CYCLO-TRIPHOSPHATE HEPTAHYDRATE","","- H14 O25 P6 Sr3 -","- H14 O25 P6 Sr3 -","- H56 O100 P24 Sr12 -","4","0.5","","Tordjman, I; Durif, A; Guitel, J C","Structure cristalline du trimetaphosphate de strontium heptahydrate Sr~3~ (P~3~ O~9~)~2~ (H~2~ O)","Acta Crystallographica B (24,1968-38,1982)","1976","32","","205","208","10.1107/S0567740876002604","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007033","16.167","0.008","12.013","0.005","10.615","0.005","90","","90","","90","","2061.6","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Strontium sodium cyclo-triphosphate trihydrate","","- H6 Na O12 P3 Sr -","- H6 Na O12 P3 Sr -","- H48 Na8 O96 P24 Sr8 -","8","1","","Zilber, R; Tordjman, I; Durif, A; Guitel, J C","Structure cristalline du trimetaphosphate de strontium sodium trihydrate. Sr Na P~3~ O~9~ (H~2~ O)~3~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1974","140","","350","359","","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007161","7.709","0.004","5.663","0.004","9.972","0.005","90","","90","","90","","435.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Potassium barium phosphate","","- Ba K O4 P -","- Ba K O4 P -","- Ba4 K4 O16 P4 -","4","0.5","","Masse, R; Durif, A","Chemical preparation and crystal structure refinement of K Ba P O~4~ monophosphate","Journal of Solid State Chemistry","1987","71","","574","576","10.1016/0022-4596(87)90270-2","","","","","","0.016","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007229","7.147","0.002","3.655","0.001","15.763","0.008","90","","90","","90","","411.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Silver catena-vanadate(V) hydrate","","- Ag H2 O4 V -","- Ag H4 O4 V -","- Ag4 H16 O16 V4 -","4","0.5","","Averbuch-Pouchot, M - T; Durif, A","Preparation chimique et structure cristalline d'un polyvanadate d'argent hydrate: Ag V O3 . H2 O","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)","1994","319","","1319","1324","","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007230","8.726","0.004","12.71","0.006","8.926","0.004","90","","90","","90","","990","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Holmium pentaphosphate *","","- Ho O14 P5 -","- Ho O14 P5 -","- Ho4 O56 P20 -","4","0.5","","Tranqui, D; Bagieu-Beucher, M; Durif, A","Structure cristalline de l'ultraphosphate d'holmium Ho P5 O14","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1972","95","","437","440","","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007238","9.194","0.003","5.49","0.002","9.388","0.004","90","","90","","90","","473.9","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Caesium zinc phosphate(V) - I","","- Cs O4 P Zn -","- Cs O4 P Zn -","- Cs4 O16 P4 Zn4 -","4","0.5","","Blum, D; Durif, A; Averbuch-Pouchot, M T","Crystal structures of the three forms of Cs Zn P O4","Ferroelectrics","1986","69","","283","292","10.1080/00150198608008201","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007240","8.72","","12.71","","8.926","","90","","90","","90","","989.3","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Holmium phyllo-pentaphosphate","","- Ho O14 P5 -","- Ho O14 P5 -","- Ho4 O56 P20 -","4","0.5","","Durif, A","Les ultraphosphates","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1971","94","","314","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008000","9.559","0.009","8.668","0.008","5.015","0.005","90","","90","","90","","415.5","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","MOLYBDENUM FLUORIDE","","- F6 Mo -","- F6 Mo -","- F24 Mo4 -","4","0.5","","Levy, J H; Taylor, J C; Wilson, P W","Structures of fluorides. IX. The orthorhombic form of molybdenum hexafluoride","Acta Crystallographica B (24,1968-38,1982)","1975","31","","398","401","10.1107/S0567740875002890","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008004","9.9","0.002","8.962","0.002","5.207","0.002","90","","90","","90","","462","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","URANIUM(VI) FLUORIDE","","- F6 U -","- F6 U -","- F24 U4 -","4","0.5","","Levy, J H; Taylor, J C; Wilson, P W","Structure of fluorides. Part XII. single-crystal neutron diffraction study of uranium hexafluoride at 293 K","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1976","1976","","219","224","","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008006","12.407","0.002","7.198","0.001","5.812","0.001","90","","90","","90","","519","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","IRON TETRATHIOSILICATE","","- Fe2 S4 Si -","- Fe2 S4 Si -","- Fe8 S16 Si4 -","4","0.5","","Vincent, H; Bertaut, E","Polyhedral deformations in olivine-type compounds and the crystal structure of Fe~2~ Si S~4~ and Fe~2~ Ge S~4~","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1749","1755","10.1107/S056774087600633X","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008007","12.467","0.002","7.213","0.001","5.902","0.001","90","","90","","90","","530.7","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","IRON TETRATHIOGERMANATE","","- Fe2 Ge S4 -","- Fe2 Ge S4 -","- Fe8 Ge4 S16 -","4","0.5","","Vincent, H; Bertaut, E","Polyhedral deformations in olivine-type compounds and the crystal structure of Fe~2~ Si S~4~ and Fe~2~ Ge S~4~","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1749","1755","10.1107/S056774087600633X","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008034","9.603","0.003","8.713","0.004","5.044","0.003","90","","90","","90","","422","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Tungsten fluoride","","- F6 W -","- F6 W -","- F24 W4 -","4","0.5","","Levy, J H; Taylor, J C; Wilson, P W","The Structures of Fluorides XIII: The Orthorhombic Form of Tungsten Hexafluoride at 193K by Neutron Diffraction","Journal of Solid State Chemistry","1975","15","","360","365","10.1016/0022-4596(75)90292-3","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008072","5.947","0.001","3.504","0.002","6.726","0.002","90","","90","","90","","140.2","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cobalt manganese phosphide (1/1/1)","","- Co Mn P -","- Co Mn P -","- Co4 Mn4 P4 -","4","0.5","","Fruchart, D; Bacmann, M; Chaudouet, P","Structure du Phosphure de Cobalt et de Manganese","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2759","2761","10.1107/S0567740880009910","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008090","6.63","0.01","13.36","0.02","14.43","0.02","90","","90","","90","","1278.2","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tris(dibromophosphazene)","","- Br6 N3 P3 -","- Br6 N3 P3 -","- Br24 N12 P12 -","4","0.5","","de Santis, P; Giglio, E; Ripamonti, A","The crystal structure of trimeric phosphonitrilic bromide.","Journal of Inorganic and Nuclear Chemistry","1962","24","","469","474","10.1016/0022-1902(62)80232-2","","","","","","0.21","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008109","12.796","","7.454","","6.034","","90","","90","","90","","575.5","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Manganese tetrathiogermanate","","- Ge Mn2 S4 -","- Ge Mn2 S4 -","- Ge4 Mn8 S16 -","4","0.5","","Duc Tran Qui; Vincent, H; Bertaut, E F; Qui Vu Van","Etude par Diffraction Neutronique de la Structure Nucleaire et Magnetique de l'Orthothiogermanate de Manganese","Solid State Communications","1969","7","","641","645","10.1016/0038-1098(69)90583-3","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008111","9.2","","5.82","","7.45","","90","","90","","90","","398.9","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium chlorate(VII)","","- Cl H4 N O4 -","- Cl H4 N O4 -","- Cl4 H16 N4 O16 -","4","0.5","","Smith, H G; Levy, H A","Neutron Diffraction Study of Ammonium Perchlorate","Acta Crystallographica (1,1948-23,1967)","1962","15","","1201","1206","10.1107/S0365110X62003205","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008204","8.698","0.002","4.127","0.001","10.412","0.002","90","","90","","90","","373.8","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Antimony selenide iodide","","- I Sb Se -","- I Sb Se -","- I4 Sb4 Se4 -","4","0.5","","Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E; Maurin, M","Sur les Chalcogeno-iodures d'antimoine SbXI (X=S,Se,Te):Structures et spectroscopie Moessbauer de ^121^Sb","Journal of Solid State Chemistry","1983","48","","272","283","10.1016/0022-4596(83)90082-8","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008211","9.654","0.003","8.776","0.004","5.084","0.003","90","","90","","90","","430.7","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Uranium(VI) fluoride","","- F6 U -","- F6 U -","- F24 U4 -","4","0.5","","Levy, J H; Taylor, J C; Waugh, A B","Neutron powder structural studies of U F~6~, Mo F~6~ and W F~6~ at 77 K","Journal of Fluorine Chemistry","1983","23","","29","36","10.1016/S0022-1139(00)81276-2","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008212","9.387","0.003","8.53","0.003","4.953","0.003","90","","90","","90","","396.6","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Molybdenum fluoride","","- F6 Mo -","- F6 Mo -","- F24 Mo4 -","4","0.5","","Levy, J H; Taylor, J C; Waugh, A B","Neutron powder structural studies of U F~6~, Mo F~6~ and W F~6~ at 77 K","Journal of Fluorine Chemistry","1983","23","","29","36","10.1016/S0022-1139(00)81276-2","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008213","9.422","0.002","8.569","0.002","4.98","0.002","90","","90","","90","","402.1","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Tungsten fluoride","","- F6 W -","- F6 W -","- F24 W4 -","4","0.5","","Levy, J H; Taylor, J C; Waugh, A B","Neutron powder structural studies of U F~6~, Mo F~6~ and W F~6~ at 77 K","Journal of Fluorine Chemistry","1983","23","","29","36","10.1016/S0022-1139(00)81276-2","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008221","8.333","","5.326","","6.861","","90","","90","","90","","304.5","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Europium(II) sulfate","","- Eu O4 S -","","","4","0.5","","Mayer, I; Levy, E; Glasner, A","The Crystal Structure of Eu S O~4~ and Eu C O~3~","Acta Crystallographica (1,1948-23,1967)","1964","17","","1071","1072","10.1107/S0365110X64002699","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1008222","5.102","","8.422","","6.03","","90","","90","","90","","259.1","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Europium(II) carbonate","","- C Eu O3 -","","","4","0.5","","Mayer, I; Levy, E; Glasner, A","The Crystal Structure of Eu S O~4~ and Eu C O~3~","Acta Crystallographica (1,1948-23,1967)","1964","17","","1071","1072","10.1107/S0365110X64002699","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1008429","14.144","0.004","5.995","0.002","15.5","0.004","90","","90","","90","","1314.3","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Caesium triphosphidosilicate","","- Cs5 P3 Si -","- Cs5 P3 Si -","- Cs20 P12 Si4 -","4","0.5","","Eisenmann, B; Klein, J; Somer, M","C O~3~^2-^ - isostere Anionen in Cs~5~ Si P~3~, Cs~5~ Si As~3~, Cs~5~ Ge P~3~ und Cs~5~ Ge As~3~","Angewandte Chemie (German Edition)","1990","102","","92","93","10.1002/ange.19901020127","","","","","","0.0569","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008430","14.467","0.004","6.043","0.002","15.82","0.004","90","","90","","90","","1383","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Caesium triarsenidosilicate","","- As3 Cs5 Si -","- As3 Cs5 Si -","- As12 Cs20 Si4 -","4","0.5","","Eisenmann, B; Klein, J; Somer, M","C O~3~^2-^ - isostere Anionen in Cs~5~ Si P~3~, Cs~5~ Si As~3~, Cs~5~ Ge P~3~ und Cs~5~ Ge As~3~","Angewandte Chemie (German Edition)","1990","102","","92","93","10.1002/ange.19901020127","","","","","","0.0539","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008431","14.311","0.004","5.994","0.002","15.618","0.004","90","","90","","90","","1339.7","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Caesium triphosphidogermanate","","- Cs5 Ge P3 -","- Cs5 Ge P3 -","- Cs20 Ge4 P12 -","4","0.5","","Eisenmann, B; Klein, J; Somer, M","C O~3~^2-^ - isostere Anionen in Cs~5~ Si P~3~, Cs~5~ Si As~3~, Cs~5~ Ge P~3~ und Cs~5~ Ge As~3~","Angewandte Chemie (German Edition)","1990","102","","92","93","10.1002/ange.19901020127","","","","","","0.0829","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008432","14.615","0.004","6.045","0.002","15.964","0.004","90","","90","","90","","1410.4","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Caesium triarsenidogermanate","","- As3 Cs5 Ge -","- As3 Cs5 Ge -","- As12 Cs20 Ge4 -","4","0.5","","Eisenmann, B; Klein, J; Somer, M","C O~3~^2-^ - isostere Anionen in Cs~5~ Si P~3~, Cs~5~ Si As~3~, Cs~5~ Ge P~3~ und Cs~5~ Ge As~3~","Angewandte Chemie (German Edition)","1990","102","","92","93","10.1002/ange.19901020127","","","","","","0.0765","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008461","13.966","0.004","5.582","0.002","15.256","0.004","90","0","90","0","90","0","1189.3","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pentarubidium triphosphidogermanate","","- Ge P3 Rb5 -","- Ge P3 Rb5 -","- Ge4 P12 Rb20 -","4","0.5","","Eisenmann, B; Klein, J; Somer, M","Crystal structure of pentarubidium triphosphidogermanate","Zeitschrift fuer Kristallographie (149,1979-)","1991","197","","263","264","","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008464","14.169","0.004","5.671","0.002","15.479","0.004","90","0","90","0","90","0","1243.8","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pentarubidium triarsenidosilicate","","- As3 Rb5 Si -","- As3 Rb5 Si -","- As12 Rb20 Si4 -","4","0.5","","Eisenmann, B; Klein, J; Somer, M","Crystal structure of pentarubidium triarsenidosilicate","Zeitschrift fuer Kristallographie (149,1979-)","1991","197","","273","274","","","","","","","0.0842","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008466","14.58","0.004","4.75","0.002","13.02","0.004","90","0","90","0","90","0","901.7","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Trisodium dipotassium triphosphidosilicate","","- K2 Na3 P3 Si -","- K2 Na3 P3 Si -","- K8 Na12 P12 Si4 -","4","0.5","","Eisenmann, B; Klein, J; Somer, M","Crystal structure of trisodium dipotassium triphosphidosilicate","Zeitschrift fuer Kristallographie (149,1979-)","1991","197","","275","276","","","","","","","0.084","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008467","15.161","0.004","4.813","0.002","13.168","0.004","90","0","90","0","90","0","960.9","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Tetrasodium potassium triarsenidogermanate","","- As3 Ge K Na4 -","- As3 Ge K Na4 -","- As12 Ge4 K4 Na16 -","4","0.5","","Eisenmann, B; Klein, J","Crystal structure of tetrasodium monopotassium triarsenidogermanate","Zeitschrift fuer Kristallographie (149,1979-)","1991","197","","279","280","","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008497","12.45","0.008","12.755","0.008","8.154","0.006","90","","90","","90","","1294.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Ammonium cyclo-trithiohexaoxotriphosphate","","- H12 N3 O6 P3 S3 -","- H12 N3 O6 P3 S3 -","- H48 N12 O24 P12 S12 -","4","0.5","","Meisel, M; Wolf, G U; Averbuch-Pouchot, M T","Structure of ammonium trithio-cyclo-triphosphate","Acta Crystallographica C (39,1983-)","1991","47","","1368","1370","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","186518","2020-10-21","18:00:00",""
"1008535","5.952","0.001","8.543","0.001","5.949","0.001","90","","90","","90","","302.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium manganese fluoride","","- F3 H4 Mn N -","- F3 H2 Mn N -","- F12 H8 Mn4 N4 -","4","0.5","","Laguna, M A; Sanjuan, M L; Orera, V M; Rubin, J; Palacios, E; Pique, M C; Bartolome, J; Berar, J F","X-ray and raman study of the low temperature NH~4~MnF~3~ structure;evidence of librational motion of the NH~4~^+^ ion","Journal of Physics: Condensed Matter","1993","5","","283","300","10.1088/0953-8984/5/3/005","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008644","5.55548","0.00004","7.84868","0.00006","5.55349","0.00005","90","","90","","90","","242.1","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lanthanum vanadate(III)","","- La O3 V -","- La O3 V -","- La4 O12 V4 -","4","0.5","","Bordet, P; Chaillout, C; Marezio, M; Huang, Q; Santoro, A; Cheong, S-W; Takagi, H; Oglesby, C S; Batlogg, B","Structural aspects of the crystallographic-magnetic transition in LaVO~3~ around 140 K","Journal of Solid State Chemistry","1993","106","","253","270","10.1006/jssc.1993.1285","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008645","5.5581","0.00004","7.83421","0.00006","5.54862","0.00005","90","","90","","90","","241.6","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lanthanum vanadate(III)","","- La O3 V -","- La O3 V -","- La4 O12 V4 -","4","0.5","","Bordet, P; Chaillout, C; Marezio, M; Huang, Q; Santoro, A; Cheong, S-W; Takagi, H; Oglesby, C S; Batlogg, B","Structural aspects of the crystallographic-magnetic transition in LaVO~3~ around 140 K","Journal of Solid State Chemistry","1993","106","","253","270","10.1006/jssc.1993.1285","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008725","5.092","","6.741","","4.527","","90","","90","","90","","155.4","","","","","","","","","","","","synthetic","2","P n m a","-P 2ac 2n","62","","Iron carbide","Cohenite","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Fruchart, D; Chaudouet, P; Fruchart, R; Rouault, A; Senateur, J P","Etudes structurales de composes de type cementite: effet de l'hydrogene sur Fe3 C suivi par diffraction neutronique Spectrometrie moessbauer sur Fe Co2 B et Co3 B dopes au ^57^Fe","Journal of Solid State Chemistry","1984","51","","246","252","10.1016/0022-4596(84)90340-2","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:50",""
"1008809","10.193","0.002","5.941","0.001","24.2","0.005","90","","90","","90","","1465.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cobalt magnesium germanium oxide (14.86/9.14/8/40)","","- Co14.86 Ge8 Mg9.14 O40 -","- Co14.86 Ge8 Mg9.14 O40 -","- Co29.72 Ge16 Mg18.28 O80 -","2","0.25","","Levy, D; Barbier, J","A new structural family: M10n-2 Ge3n+1 O16n with M = (Co, Mg) and (Ni, Mg)","Journal of Solid State Chemistry","1997","130","","9","19","10.1006/jssc.1997.7252","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008861","5.96","","3.49","","6.717","","90","","90","","90","","139.7","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cobalt manganese phosphide (1/1/1)","","- Co Mn P -","- Co Mn P -","- Co4 Mn4 P4 -","4","0.5","","Fruchart, D; Martin-Farrugia, C; Rouault, A; Senateur, J P","Etude structurale et magnetique de Co Mn P","Physica Status Solidi, Sectio A: Applied Research","1980","57","","675","682","10.1002/pssa.2210570225","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008862","5.96","","3.49","","6.717","","90","","90","","90","","139.7","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cobalt manganese phosphide (1/1/1)","","- Co Mn P -","- Co Mn P -","- Co4 Mn4 P4 -","4","0.5","","Fruchart, D; Martin-Farrugia, C; Rouault, A; Senateur, J P","Etude structurale et magnetique de Co Mn P","Physica Status Solidi, Sectio A: Applied Research","1980","57","","675","682","10.1002/pssa.2210570225","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008936","4.546","","6.959","","11.976","","90","","90","","90","","378.9","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Manganese carbide (7/3)","","- C3 Mn7 -","- C3 Mn7 -","- C12 Mn28 -","4","0.5","","Bouchard, J P","Etude structurale des carbures de manganese","Annales de Chimie (Paris) (Vol=Year)","1967","1967","","353","366","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008937","4.537","","6.892","","11.913","","90","","90","","90","","372.5","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Iron carbide (7/3)","","- C3 Fe7 -","- C3 Fe7 -","- C12 Fe28 -","4","0.5","","Bouchard, J P","Etude structurale des carbures de manganese","Annales de Chimie (Paris) (Vol=Year)","1967","1967","","353","366","","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1008973","7.322","0.001","10.825","0.002","6.738","0.001","90","","90","","90","","534.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cerium oxalate formate","","- C3 H Ce O6 -","- C3 H Ce O6 -","- C12 H4 Ce4 O24 -","4","0.5","","Romero, S; Mosset, A; Trombe, J C","Two new families of lanthanide mixed-ligand complexes, oxalate- carbonate and oxalate-formate: synthesis and and structure of (Ce (H2 O))2 (C2 O4)2 (C O3) * 2.5 H2 O","Journal of Solid State Chemistry","1996","127","","256","266","10.1006/jssc.1996.0382","","","","","","0.0189","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1008977","5.918","0.001","3.746","0.001","7.029","0.001","90","","90","","90","","155.8","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cobalt rhodium arsenide (1/1/1)","","- As Co Rh -","- As Co Rh -","- As4 Co4 Rh4 -","4","0.5","","Roy-Montreuil, J; Chaudouet, P; Rouault, A; Boursier, D; Senateur, J P; Fruchart, R","Analyse de l'ordre dans les arseniures M M' As","Annales de Chimie (Paris) (Vol=Year)","1984","9","","579","586","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008981","5.789","","3.76","","6.474","","90","","90","","90","","140.9","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Chromium arsenide antimonide (1/0.5/0.5) - LT","","- As0.5 Cr Sb0.5 -","- As0.5 Cr Sb0.5 -","- As2 Cr4 Sb2 -","4","0.5","","Kallel, A; Boller, H; Bertaut, E F","Helimagnetism in Mn P-type compounds: Mn P, Fe P, Cr As and Cr A1-x Sbx","Journal of Physics and Chemistry of Solids","1974","35","","1139","1152","10.1016/S0022-3697(74)80132-0","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008982","5.745","","3.699","","6.406","","90","","90","","90","","136.1","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Chromium arsenide antimonide (1/0.67/0.33)","","- As0.67 Cr Sb0.33 -","- As0.67 Cr Sb0.33 -","- As2.68 Cr4 Sb1.32 -","4","0.5","","Kallel, A; Boller, H; Bertaut, E F","Helimagnetism in Mn P-type compounds: Mn P, Fe P, Cr As and Cr A1-x Sbx","Journal of Physics and Chemistry of Solids","1974","35","","1139","1152","10.1016/S0022-3697(74)80132-0","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008983","5.735","","3.659","","6.355","","90","","90","","90","","133.4","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Chromium arsenide antimonide (1/0.72/0.28)","","- As0.72 Cr Sb0.28 -","- As0.72 Cr Sb0.28 -","- As2.88 Cr4 Sb1.12 -","4","0.5","","Kallel, A; Boller, H; Bertaut, E F","Helimagnetism in Mn P-type compounds: Mn P, Fe P, Cr As and Cr A1-x Sbx","Journal of Physics and Chemistry of Solids","1974","35","","1139","1152","10.1016/S0022-3697(74)80132-0","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008991","6.334","0.001","3.816","0.001","7.388","0.001","90","","90","","90","","178.6","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rhodium titanium arsenide (1/1/1)","","- As Rh Ti -","- As Rh Ti -","- As4 Rh4 Ti4 -","4","0.5","","Roy-Montreuil, J; Chadouet, P; Rouault, A; Boursier, D; Senateur, J P; Fruchart, R","Analyse de l'ordre dans les arseniures MM'As","Annales de Chimie (Paris) (Vol=Year)","1984","9","","589","586","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008999","5.221","0.001","6.631","0.001","4.408","0.001","90","","90","","90","","152.6","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Cobat boride (3/1)","","- B Co3 -","- B Co3 -","- B4 Co12 -","4","0.5","","Fruchart, R; Michel, A","Sur le borures de nickel, de cobalt et de fer isomorphes de la cementite","Bulletin de la Societe Chimique de France (Vol=Year)","1959","1959","","422","423","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009067","6.8943","0.0004","7.7529","0.0008","14.7644","0.0012","90","","90","","90","","789.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Trisamarium niobium triselenate","","- Nb O4 Se3 Sm3 -","- Nb O4 Se3 Sm3 -","- Nb4 O16 Se12 Sm12 -","4","0.5","","Meerschaut, A; Boyer, C; Lafond, A; Cario, L; Rouxel, J","Synthesis and structure determination of Sm3 Nb Se3 O4","Journal of Solid State Chemistry","1998","136","","122","126","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009071","5.819","","3.691","","6.853","","90","","90","","90","","147.2","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Manganese copper silicide (1/1/1)","","- Co Mn Si -","- Co Mn Si -","- Co4 Mn4 Si4 -","4","0.5","","Niziol, S; Binczycka, H; Szytula, A; Todorovic, J; Fruchart, R; Senateur, J P; Fruchart, D","Structure magnetique des Mn Co Si","Physica Status Solidi, Sectio A: Applied Research","1978","45","","591","597","10.1002/pssa.2210450231","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009072","5.8571","","3.6881","","6.8556","","90","","90","","90","","148.1","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Manganese copper silicide (1/1/1)","","- Co Mn Si -","- Co Mn Si -","- Co4 Mn4 Si4 -","4","0.5","","Niziol, S; Binczycka, H; Szytula, A; Todorovic, J; Fruchart, R; Senateur, J P; Fruchart, D","Structure magnetique des Mn Co Si","Physica Status Solidi, Sectio A: Applied Research","1978","45","","591","597","10.1002/pssa.2210450231","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010065","5.73","","5.98","","14.26","","90","","90","","90","","488.6","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Caesium rhenate","","- Cs O4 Re -","- Cs O2 Re -","- Cs4 O8 Re4 -","4","0.5","","Jaeger, F M; Beintema, J","The crystalstructure of cesium-, thallium- and rubidiumperrhenates","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1933","36","","523","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010066","5.63","","5.8","","13.33","","90","","90","","90","","435.3","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallous rhenate","","- O4 Re Tl -","- O2 Re Tl -","- O8 Re4 Tl4 -","4","0.5","","Jaeger, F M; Beintema, J","The crystalstructure of cesium-, thallium- and rubidiumperrhenates","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1933","36","","523","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010094","9.07","","5.6","","7.23","","90","","90","","90","","367.2","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rubidium tetrafluoroborate","","- B F4 Rb -","- B F4 Rb -","- B4 F16 Rb4 -","4","0.5","","Hoard, J L; Blair, V","The Crystal Structures of Rubidium and Ammonium Fluoborates","Journal of the American Chemical Society","1935","57","","1985","1988","10.1021/ja01313a067","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010103","16.55","","11.7","","8.68","","90","","90","","90","","1680.8","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Potassium octacyanomolybdate(IV) dihydrate","","- C8 H4 K4 Mo N8 O2 -","- C8 H4 K4 Mo N8 O2 -","- C32 H16 K16 Mo4 N32 O8 -","4","0.5","","Hoard, J. L.; Nordsieck, H. H.","The Structure of Potassium Molybdocyanide Dihydrate. The Configuration of the Molybdenum Octocyanide Group","Journal of the American Chemical Society","1939","61","10","2853","2863","10.1021/ja01265a083","","","","","","","","","","","","","","","","","","","","","has coordinates","205558","2020-10-21","18:00:00",""
"1010426","5.737","0.003","5.968","0.003","14.241","0.007","90","","90","","90","","487.6","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Caesium rhenate(VII)","","- Cs O4 Re -","- Cs O2 Re -","- Cs4 O8 Re4 -","4","0.5","","Beintema, J","Die Kristallstruktur der Alkaliperrhenate und -periodate","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","97","","300","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010427","5.623","0.003","5.791","0.003","13.295","0.007","90","","90","","90","","432.9","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium rhenate(VII)","","- O4 Re Tl -","- O2 Re Tl -","- O8 Re4 Tl4 -","4","0.5","","Beintema, J","Die Kristallstruktur der Alkaliperrhenate und -periodate","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","97","","300","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010428","5.838","0.003","6.014","0.003","14.364","0.007","90","","90","","90","","504.3","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Caesium iodate(VII)","","- Cs I O4 -","- Cs I O2 -","- Cs4 I4 O8 -","4","0.5","","Beintema, J","Die Kristallstruktur der Alkaliperrhenate und -periodate","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","97","","300","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010542","8.85","","5.43","","7.13","","90","","90","","90","","342.6","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Barium sulfate","Baryte","- Ba O4 S -","- Ba O4 S -","- Ba4 O16 S4 -","4","0.5","","James, R. W.; Wood, W. A.","The Crystal Structures of Barytes, Celestine and Anglesite","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1925","109","","598","620","10.1098/rspa.1925.0148","","","","","","","","","","","","","","","","","","","","","has coordinates","258310","2020-10-21","18:00:00",""
"1010543","8.36","","5.36","","6.84","","90","","90","","90","","306.5","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Strontium sulfate","Celestine","- O4 S Sr -","- O4 S Sr -","- O16 S4 Sr4 -","4","0.5","","James, R. W.; Wood, W. A.","The Crystal Structures of Barytes, Celestine and Anglesite","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1925","109","","598","620","10.1098/rspa.1925.0148","","","","","","","","","","","","","","","","","","","","","has coordinates","258310","2020-10-21","18:00:00",""
"1010544","4.49","0.07","7.53","0.02","8.97","0.03","90","","90","","90","","303.3","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Samarium(II) chloride","","- Cl2 Sm -","","","4","0.5","","Doell, W; Klemm, W","Ueber die Struktur einiger Dihalogenide","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","241","","239","258","10.1002/zaac.19392410211","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010611","8.834","","5.65","","7.24","","90","","90","","90","","361.4","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Potassium chlorate(VII)","","- Cl K O4 -","- Cl K O4 -","- Cl4 K4 O16 -","4","0.5","","Gottfried, C; Schusterius, C","Die Struktur von Kalium- und Ammoniumperchlorat","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","84","","65","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010612","9.202","0.006","5.815","0.004","7.449","0.005","90","","90","","90","","398.6","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium chlorate(VII)","","- Cl H4 N O4 -","- Cl H4 N O4 -","- Cl4 H16 N4 O16 -","4","0.5","","Gottfried, C; Schusterius, C","Die Struktur von Kalium- und Ammoniumperchlorat","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","84","","65","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010886","8.015","","9.679","","6.244","","90","","90","","90","","484.4","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Metaboric acid - $-ALPHA","","- B H O2 -","","","12","1.5","","Tazaki, H","Single crystals of metaboric acid.","Journal of Science of the Hiroshima University, Series A: Mathematics, Physics, Chemistry","1940","10","","37","54","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010935","18.5","","17.89999","","5.27","","90","","90","","90","","1745.2","","","","","","","","","","","","from Edwards, New York","4","P n m a","-P 2ac 2n","62","","Magnesium hydrogensilicate *","Anthophyllite","- H2 Mg7 O24 Si8 -","- H3 Mg7 O24 Si8 -","- H12 Mg28 O96 Si32 -","4","0.5","","Warren, B E; Modell, D I","The structure of Anthophyllite H2 Mg7 (Si O3)8","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","75","","161","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010950","8.45","","5.38","","6.93","","90","","90","","90","","315","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lead sulfate","Anglesite","- O4 Pb S -","- O4 Pb S -","- O16 Pb4 S4 -","4","0.5","","James, R. W.; Wood, W. A.","The Crystal Structures of Barytes, Celestine and Anglesite","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1925","109","","598","620","10.1098/rspa.1925.0148","","","","","","","","","","","","","","","","","","","","","has coordinates","258310","2020-10-21","18:00:00",""
"1011135","9.06","","5.64","","7.23","","90","","90","","90","","369.4","","","","","","","","","","","","synthetic from solution","4","P n m a","-P 2ac 2n","62","","Ammonium tetrafluoroborate","Barberiite","- B F4 H4 N -","- B F4 H4 N -","- B4 F16 H16 N4 -","4","0.5","","Hoard, J L; Blair, V","The crystal structures of rubidium and ammonium fluoborates","Journal of the American Chemical Society","1935","57","","1985","1988","10.1021/ja01313a067","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011188","6.008","0.01","3.784","0.01","14.456","0.03","90","","90","","90","","328.6","","","","","","","","","","","","from Guadiz, Spain and Wolfsberg, Harz, Germany","3","P n m a","-P 2ac 2n","62","","Antimony copper(I) sulfide","Wolfsbergite","- Cu S2 Sb -","- Cu S2 Sb -","- Cu4 S8 Sb4 -","4","0.5","","Hofmann, W","Strukturelle und morphologische Zusammenhaenge bei Erzen vom Formeltyp ABC2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","84","","177","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011192","6.008","","3.784","","14.456","","90","","90","","90","","328.6","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Copper(I) antimony sulfide","Wolfsbergite","- Cu S2 Sb -","- Cu S2 Sb -","- Cu4 S8 Sb4 -","4","0.5","","Hofmann, W","Strukturelle und morphologische Zusammenhaenge bei Erzen vom Formeltyp A B C2","Fortschritte der Mineralogie","1932","17","","422","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100070","9.397","0.01","14.555","0.015","6.864","0.009","90","","90","","90","","938.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Magnesium thiosulfate hexahydrate","","- H12 Mg O9 S2 -","- H12 Mg O9 S2 -","- H48 Mg4 O36 S8 -","4","0.5","","Baggio, S; Amzel, L; Becka, L N","Refinement of the structure of magnesium thiosulfate hexahydrate, Mg S~2~ O~3~ (H~2~ O)~6~","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1650","2653","","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1100072","9.32","0.01","14.36","0.04","6.87","0.01","90","","90","","90","","919.4","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Magnesium thiosulfate hexahydrate","","- H12 Mg O9 S2 -","- H12 Mg O9 S2 -","- H48 Mg4 O36 S8 -","4","0.5","","Nardelli, M; Fava, G; Giraldi, G","The Crystal Structure of Magnesium Thiosulphate Hexahydrate","Acta Crystallographica (1,1948-23,1967)","1962","15","","227","231","10.1107/S0365110X62000560","","","","","","0.116","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100073","9.405","0.004","14.449","0.004","6.866","0.004","90","","90","","90","","933","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Magnesium thiosulfate hexahydrate","","- H12 Mg O9 S2 -","- H12 Mg O9 S2 -","- H48 Mg4 O36 S8 -","4","0.5","","Elerman, Y; Fuess, H; Joswig, W","Hydrogen Bonding in Magnesium Thiosulphate Hexahydrate Mg S~2~ O~3~ (H~2~ O)~6~. A Neutron Diffraction Study","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1799","1801","10.1107/S0567740882007225","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100074","9.304","0.003","14.447","0.003","6.847","0.003","90","","90","","90","","920.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Magnesium thiosulfate hexahydrate","","- H12 Mg O9 S2 -","- H12 Mg O9 S2 -","- H48 Mg4 O36 S8 -","4","0.5","","Elerman, Y; Fuess, H; Joswig, W","Hydrogen Bonding in Magnesium Thiosulphate Hexahydrate Mg S~2~ O~3~ (H~2~ O)~6~. A Neutron Diffraction Study","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1799","1801","10.1107/S0567740882007225","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100077","9.397","0.01","14.455","0.015","6.864","0.009","90","","90","","90","","932.4","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Magnesium thiosulfate hexahydrate","","- H12 Mg O9 S2 -","- H12 Mg O9 S2 -","- H48 Mg4 O36 S8 -","4","0.5","","Baggio, S; Amzel, L M; Becka, L N","Refinement of the structure of magnesium thiosulphate hexahydrate, Mg S~2~ O~3~ (H~2~ O)~6~","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2650","2653","10.1107/S0567740869006200","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100078","9.324","0.002","14.461","0.004","6.862","0.001","90","","90","","90","","925.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Magnesium thiosulfate hexahydrate","","- H12 Mg O9 S2 -","- H12 Mg O9 S2 -","- H48 Mg4 O36 S8 -","4","0.5","","Elerman, Y; Bats, J W; Fuess, H","Deformation Density in Complex Anions. IV. Magnesium Thiosulfate Hexahydrate, Mg S~2~ O~3~ * 6H2 O","Acta Crystallographica C (39,1983-)","1983","39","","515","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100079","9.324","0.002","14.461","0.004","6.862","0.001","90","","90","","90","","925.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Magnesium thiosulfate hexahydrate","","- H12 Mg O9 S2 -","- H12 Mg O9 S2 -","- H48 Mg4 O36 S8 -","4","0.5","","Elerman, Y; Bats, J W; Fuess, H","Deformation Density in Complex Anions. IV. Magnesium Thiosulfate Hexahydrate, Mg S~2~ O~3~ * 6H2 O","Acta Crystallographica C (39,1983-)","1983","39","","515","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100238","16.254","0.0006","14.669","0.0006","11.657","0.0005","90","","90","","90","","2779.38","","","","193","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(μ~2~-Dimethylamido-N,N)-(μ~2~-1-naphthoxo)-bis(1,2-bis(dimethylamino)ethane-N,N')-di-lithium","","- C24 H45 Li2 N5 O -","- C36 H83 Li4 N9 O -","- C144 H332 Li16 N36 O4 -","4","0.5","","Boche, G.; Marsch, M.; Harms, K.","","Private Communication","2001","","","","","","","","","","","","8.15","","","8.15","","","","","","","","","","","has coordinates","177962","2020-10-21","18:00:00",""
"1100301","12.941","0.002","9.45","0.001","6.459","0.001","90","","90","","90","","789.89","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C8 H6 N4 -","- C14 H10 N6 -","- C56 H40 N24 -","4","0.5","","Buchholz, Stefan; Harms, Klaus; Massa, Werner; Boche, Gernot","Hydrogen Bonds between an NH~4~^⊕^ Ion and a Carbanion—Crystal Structure of Ammonium 1,2,4-Tricyanocyclopentadienide","Angewandte Chemie, International Edition in English","1989","28","1","73","75","10.1002/anie.198900731","","","","","","","","","","","","","","","","","","","","","has coordinates","177366","2020-10-21","18:00:00",""
"1100463","8.973","0.001","6.542","0.001","17.092","0.001","90","","90","","90","","1003.32","","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H10 I N3 -","- C8 H10 I N3 -","- C32 H40 I4 N12 -","4","0.5","","Boche, Gernot; Andrews, Phil; Harms, Klaus; Marsch, Michael; Rangappa, Kanchugarakoppal S.; Schimeczek, Michael; Willeke, Christoph","Crystal and Electronic Structure of Stable Nitrenium Ions. A Comparison with Structurally Related Carbenes","Journal of the American Chemical Society","1996","118","","4925","4930","10.1021/ja9536274","","","0.71073","MoKα","","0.0355","0.027","","0.0815","0.0732","","","","1.048","1.064","1.064","","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100466","11.8556","0.0007","16.3583","0.0011","16.552","0.002","90","","90","","90","","3210.05","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H48 N4 P4 Zn4 -","- C28 H96 N6 P6 Zn6 -","- C112 H384 N24 P24 Zn24 -","4","0.5","","Krieger, Matthias; Gould, Robert O.; Harms, Klaus; Parsons, Simon; Dehnicke, Kurt","Zinkorganische Phosphaniminato-Komplexe mit Heterocuban-Struktur","Chemische Berichte","1996","129","12","1621","1625","10.1002/cber.19961291232","","","","","","","","","","","","","","","","","","","","","has coordinates","177580","2020-10-21","18:00:00",""
"1100504","13.9028","0.0009","15.9059","0.0009","17.6689","0.0014","90","","90","","90","","3907.24","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H61 B2 Li3 O Si2 -","- C69 H100 B2 Li5 O4 Si4 -","- C276 H400 B8 Li20 O16 Si16 -","4","0.5","","Scheschkewitz, David; Menzel, Matthias; Hofmann, Matthias; Schleyer, Paul Ragué; Geiseler, Gertraud; Massa, Werner; Harms, Klaus; Berndt, Armin","A Five-Membered Ring with Three Negative Charges and Solvent-Free Lithium Counterions","Angewandte Chemie, International Edition","1999","38","19","2936","2939","10.1002/(sici)1521-3773(19991004)38:19<2936::aid-anie2936>3.0.co;2-9","","","","","","","","","","","","","","","","","","","","","has coordinates","177014","2020-10-21","18:00:00",""
"1100643","22.3915","0.0015","10.1812","0.0008","10.4478","0.0011","90","","90","","90","","2381.81","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C32 H20 Cr I -","- C60 H40 Cr I -","- C240 H160 Cr4 I4 -","4","0.5","","Elschenbroich, Christoph; Möckel, Reinhart; Vasil'kov, Alexander; Metz, Bernhard; Harms, Klaus","Chromium Sandwich Complexes of Polycyclic Aromatic Hydrocarbons: Triphenylene and Fluoranthene as η^6^ Ligands","European Journal of Inorganic Chemistry","1998","1998","10","1391","1401","10.1002/(sici)1099-0682(199810)1998:10<1391::aid-ejic1391>3.0.co;2-6","","","","","","","","","","","","","","","","","","","","","has coordinates","177585","2020-10-21","18:00:00",""
"1100788","21.365","0.006","15.428","0.005","6.697","0.005","90","","90","","90","","2207","1","294.1","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H30 Ir2 N4 -","- C22 H30 Ir2 N4 -","- C88 H120 Ir8 N16 -","4","0.5","","Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes","Organometallics","2005","24","10","2251","2254","10.1021/om048978i","","","0.7107","MoKα","","","0.052","","","","0.054","","","","","","1.001","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100790","19.199","0.005","13.714","0.005","9.781","0.003","90","","90","","90","","2575","1","108.1","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H39 Ir2 N4 P -","- C25 H39 Ir2 N4 P -","- C100 H156 Ir8 N16 P4 -","4","0.5","","Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes","Organometallics","2005","24","10","2251","2254","10.1021/om048978i","","","0.7107","MoKα","","","0.058","","","","0.068","","","","","","1.006","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100985","13.984","0.001","12.722","0.002","8.024","0.002","90","","90","","90","","1427.5","0.4","299.2","","299.2","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H12.4 O2 -","- C20 H8 O2 -","- C80 H32 O8 -","4","0.5","","Yamamura, Kimiaki; Kawashima Taiga; Eda, Kazuo; Tajima, Fukue; Hashimoto, Masao","Solid solution of triptycenequinone and triptycenehydroquinone as a non-stoichiometric quinhydrone. Bathochromic changes in color caused by local intermolecular interaction between p-benzoquinone and hydroquinone moieties","Journal of Molecular Structure","2005","737","1","1","6","10.1016/j.molstruc.2004.10.002","","","0.71073","MoKα","","0.1592","0.0882","","","0.2639","0.2835","","","","","","1.075","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1101063","5.4473","0.0008","14.839","0.002","5.6185","0.0008","90","","90","","90","","454.15","0.12","485","5","485","5","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","0.5","","Kruger, Hannes; Kahlenberg, Volker","","'Unpublished'","","","","","","","","","","","","","","","","","","","","","2.73","2.73","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101064","5.4589","0.0008","14.907","0.002","5.6277","0.0008","90","","90","","90","","457.95","0.12","700","5","700","5","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","0.5","","Kruger, Hannes; Kahlenberg, Volker","","'Unpublished'","","","","","","","","","","","","","","","","","","","","","2.87","2.87","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101065","5.472","0.0008","14.975","0.002","5.6368","0.0008","90","","90","","90","","461.89","0.12","900","5","900","5","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","0.5","","Kruger, Hannes; Kahlenberg, Volker","","'Unpublished'","","","","","","","","","","","","","","","","","","","","","3.18","3.18","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101066","5.4421","0.0008","14.785","0.002","5.6112","0.0008","90","","90","","90","","451.5","0.12","300","2","300","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","0.5","","Kruger, Hannes; Kahlenberg, Volker","","'Unpublished'","","","","","","","","","","","","","","","","","","","","","2.9","2.9","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101111","10.3328","0.0003","6.0043","0.0002","4.6977","0.0002","90","","90","","90","","291.45","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","Lithium Iron Phosphate(V)","","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.5","","MAUD software","","","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:21",""
"1500022","17.7483","0.001","36.829","0.002","17.3196","0.001","90","","90","","90","","11320.9","1.1","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28.81 H26.43 Br Co N5.33 O3.9 -","- C28.815 H26.432 Br Co N5.333 O3.9 -","- C461.04 H422.912 Br16 Co16 N85.328 O62.4 -","16","2","","Maria Lalia-Kantouri; Christos D. Papadopoulos; Antonios G. Hatzidimitriou; Miguel Quirós","Synthesis and characterization of new Co(III) mixed-ligand complexes, containing 2-hydroxy-aryloximes and α-diimines. Crystal and molecular strucutre of [Co(saox)(bipy)~2~]Br","Polyhedron","2007","26","","1292","1302","10.1016/j.poly.2006.10.047","","","0.71073","MoKα","","0.0406","0.0306","","0.087","0.0728","0.0728","","","","","","1.0498","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501602","8.2094","0.0019","21.264","0.005","5.9988","0.0013","90","","90","","90","","1047.2","0.4","218","2","218","2","","","","","","","","4","P n m a","-P 2ac 2n","62","EB7721","","","- C14 H10 F N -","- C14 H10 F N -","- C56 H40 F4 N4 -","4","0.5","","Elliott, Emma-Claire; Bowkett, Elizabeth R.; Maggs, James L.; Bacsa, John; Park, B. Kevin; Regan, Sophie L.; O'Neill, Paul M; Stachulski, Andrew V.","Convenient syntheses of benzo-fluorinated dibenz[b,f]azepines: rearrangements of isatins, acridines, and indoles.","Organic letters","2011","13","20","5592","5595","10.1021/ol202318w","","","0.71073","MoKα","","0.0531","0.0359","","","0.0923","0.0989","","","","","","1.004","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501724","13.383","0.008","6.769","0.004","10.267","0.006","90","","90","","90","","930.1","1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","para-methyl-N-chloroacetanilide","","","- C9 H10 Cl N O -","- C9 H10 Cl N O -","- C36 H40 Cl4 N4 O4 -","4","0.5","","Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki","Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.","The journal of physical chemistry. A","2011","115","26","7834","7848","10.1021/jp203771c","","","0.71073","MoKα","","0.054","0.0405","","","0.1365","0.1518","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501748","20.171","0.004","10.563","0.002","14.348","0.003","90","","90","","90","","3057.1","1.1","240","0.1","240","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","pentaguanidinium diethoxysolfo-fluoro-sulfate","pentaguanidinium diethoxysolfo-fluoro-sulfate","","- C9 H40 F N15 O12 S3 -","- C9 H40 F N15 O12 S3 -","- C36 H160 F4 N60 O48 S12 -","4","0.5","","Szafrański, Marek","Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F.","The journal of physical chemistry. B","2011","115","34","10277","10284","10.1021/jp204557d","","","0.71073","MoKα","","0.1142","0.043","","","0.116","0.1378","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501749","20.272","0.005","10.583","0.003","14.327","0.003","90","","90","","90","","3073.7","1.3","298","1","298","1","","","","","","","","6","P n m a","-P 2ac 2n","62","pentaguanidinium diethoxysolfo-fluoro-sulfate","pentaguanidinium diethoxysolfo-fluoro-sulfate","","- C9 H40 F N15 O12 S3 -","- C9 H40 F N15 O12 S3 -","- C36 H160 F4 N60 O48 S12 -","4","0.5","","Szafrański, Marek","Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F.","The journal of physical chemistry. B","2011","115","34","10277","10284","10.1021/jp204557d","","","0.71073","MoKα","","0.1271","0.0532","","","0.1603","0.1865","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501764","11.6274","0.0011","6.7904","0.0007","26.582","0.003","90","","90","","90","","2098.8","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H30 N4 O4 -","- C20 H30 N4 O4 -","- C80 H120 N16 O16 -","4","0.5","","Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol","Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.","The journal of physical chemistry. A","2011","115","35","10087","10096","10.1021/jp205793b","","","0.71073","MoKα","","0.0701","0.062","","","0.1721","0.1847","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502848","17.335","0.004","14.557","0.003","9.2973","0.0019","90","","90","","90","","2346.1","0.9","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 N2 O5 S2 -","- C24 H24 N2 O5 S2 -","- C96 H96 N8 O20 S8 -","4","0.5","","Sriramurthy, Vardhineedi; Kwon, Ohyun","Diphosphine-catalyzed mixed double-Michael reaction: a unified synthesis of indolines, dihydropyrrolopyridines, benzimidazolines, tetrahydroquinolines, tetrahydroisoquinolines, dihydrobenzo-1,4-oxazines, and dihydrobenzo-3,1-oxazines.","Organic letters","2010","12","5","1084","1087","10.1021/ol100078w","","","0.71073","MoKα","","0.0669","0.0419","","","0.1126","0.1295","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503140","19.0772","0.0007","6.9067","0.0003","9.685","0.0003","90","","90","","90","","1276.1","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","dimethylphenyl squaramide","3-(4-(N,N-dimethylamino)phenylamino)-4-hydroxycyclobut-3-ene-1,2-dione","","- C12 H16.72 N2 O5.36 -","- C12 H12 N2 O5.362 -","- C48 H48 N8 O21.448 -","4","0.5","","Sanna, Elena; Martínez, Luis; Rotger, Carmen; Blasco, Salvador; González, Jorge; García-España, Enrique; Costa, Antoni","Squaramide-based reagent for selective chromogenic sensing of Cu(II) through a zwitterion radical.","Organic letters","2010","12","17","3840","3843","10.1021/ol101514y","","","0.71073","MoKα","","0.1343","0.0622","","","0.1699","0.2044","","","","","","1.179","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503541","9.9868","0.0005","30.2095","0.0015","11.8887","0.0005","90","","90","","90","","3586.8","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2,7-bis(4-methylbenzyl)thieno[2,3-c:5,4-c']dipyridine-2,7-diium hexafluorophosphate(V) tris-acetontrile solvate","","- C32 H33 F12 N5 P2 S -","- C32 H33 F12 N5 P2 S -","- C128 H132 F48 N20 P8 S4 -","4","0.5","","Benniston, Andrew C.; Hagon, Jerry; He, Xiaoyan; Yang, Songjie; Harrington, Ross W.","Spring open two-plus-two electron storage in a disulfide-strapped methyl viologen derivative.","Organic letters","2012","14","2","506","509","10.1021/ol203099h","","","0.71073","MoKα","","0.1392","0.072","","","0.1611","0.2031","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503603","16.0215","0.0015","11.2646","0.0011","7.0956","0.0007","90","","90","","90","","1280.6","0.2","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","5,14-dihydro-1,4,5,14-tetraazapentacene","","- C18 H12 N4 -","- C18 H12 N4 -","- C72 H48 N16 -","4","0.5","","He, Zikai; Liu, Danqing; Mao, Renxin; Tang, Qin; Miao, Qian","Hydrogen-bonded dihydrotetraazapentacenes.","Organic letters","2012","14","4","1050","1053","10.1021/ol203404q","","","0.71073","MoKα","","0.0691","0.0444","","","0.1211","0.1424","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503646","11.7147","0.0014","6.9466","0.0009","20.785","0.002","90","","90","","90","","1691.4","0.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H17 Cl N2 O2 -","- C19 H17 Cl N2 O2 -","- C76 H68 Cl4 N8 O8 -","4","0.5","","Tu, Shu-Jiang; Zhang, Xiao-Hong; Han, Zheng-Guo; Cao, Xu-Dong; Wu, Shan-Shan; Yan, Shu; Hao, Wen-Juan; Zhang, Ge; Ma, Ning","Synthesis of Isoxazolo[5,4-b]pyridines by Microwave-Assisted Multi-Component Reactions in Water","Journal of Combinatorial Chemistry","2009","11","3","428","","10.1021/cc800212v","","","0.71073","MoKα","","0.0858","0.056","","","0.1294","0.1458","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504313","11.9996","0.0023","5.4711","0.001","9.2156","0.0018","90","","90","","90","","605","0.2","","","300","","","","","","","","","3","P n m a","-P 2ac 2n","62","Barium Iron Selenide","Barium Diiron(II) Triselenide","","- Ba Fe2 Se3 -","- Ba Fe2 Se3 -","- Ba4 Fe8 Se12 -","4","0.5","","Caron, J.; Neilson, J.; Miller, D.; Llobet, A.; McQueen, T.","Iron displacements and magnetoelastic coupling in the antiferromagnetic spin-ladder compound BaFe_{2}Se_{3}","Physical Review B","2011","84","18","180409","","10.1103/PhysRevB.84.180409","","neutron","","neutron","","","","","","","","","","1.96","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504314","11.88345","0.00024","5.41411","0.0001","9.14086","0.0002","90","","90","","90","","588.11","0.02","","","5","","","","","","","","","3","P n m a","-P 2ac 2n","62","Barium Iron Selenide","Barium Diiron(II) Triselenide","","- Ba Fe2 Se3 -","- Ba Fe2 Se3 -","- Ba4 Fe8 Se12 -","4","0.5","","Caron, J.; Neilson, J.; Miller, D.; Llobet, A.; McQueen, T.","Iron displacements and magnetoelastic coupling in the antiferromagnetic spin-ladder compound BaFe_{2}Se_{3}","Physical Review B","2011","84","18","180409","","10.1103/PhysRevB.84.180409","","neutron","","neutron","","","","","","","","","","0.132","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504348","7.7446","0.0009","9.3368","0.001","5.8584","0.0007","90","","90","","90","","423.62","0.08","100","0.1","295","2","","","100","","","","","3","P n m a","-P 2ac 2n","62","1,1-dichloroethane","1,1-dichloroethane","","- C2 H4 Cl2 -","- C2 H4 Cl2 -","- C8 H16 Cl8 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts?","The journal of physical chemistry. B","2008","112","4","1184","1188","10.1021/jp075491p","","","0.71073","MoKα","","0.0261","0.026","","","0.0552","0.0552","","","","","","1.238","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504349","7.8716","0.0016","9.404","0.002","5.8862","0.0011","90","","90","","90","","435.72","0.15","160","0.1","295","2","","","100","","","","","3","P n m a","-P 2ac 2n","62","1,1-dichloroethane","1,1-dichloroethane","","- C2 H4 Cl2 -","- C2 H4 Cl2 -","- C8 H16 Cl8 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts?","The journal of physical chemistry. B","2008","112","4","1184","1188","10.1021/jp075491p","","","0.71073","MoKα","","0.0474","0.0461","","","0.1174","0.1187","","","","","","1.249","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504350","7.5572","0.0009","9.1829","0.0018","5.713","0.003","90","","90","","90","","396.5","0.2","295","2","295","2","","","590000","","","","","3","P n m a","-P 2ac 2n","62","1,1-dichloroethane","1,1-dichloroethane","","- C2 H4 Cl2 -","- C2 H4 Cl2 -","- C8 H16 Cl8 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts?","The journal of physical chemistry. B","2008","112","4","1184","1188","10.1021/jp075491p","","","","MoKα","","0.0521","0.0514","","","0.1415","0.1427","","","","","","1.197","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504351","7.3833","0.001","9.0641","0.0011","5.6461","0.0018","90","","90","","90","","377.85","0.14","295","2","295","2","","","1510000","","","","","3","P n m a","-P 2ac 2n","62","1,1-dichloroethane","1,1-dichloroethane","","- C2 H4 Cl2 -","- C2 H4 Cl2 -","- C8 H16 Cl8 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts?","The journal of physical chemistry. B","2008","112","4","1184","1188","10.1021/jp075491p","","","","MoKα","","0.0397","0.0384","","","0.0917","0.0927","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504352","9.841","0.0006","14.0813","0.0008","14.0276","0.0008","90","","90","","90","","1943.9","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H6 Cl N6 O3 Re -","- C19 H6 Cl N6 O3 Re -","- C76 H24 Cl4 N24 O12 Re4 -","4","0.5","","Si, Z.; Li, J.; Li, B.; Hong, Z.; Liu, S.; Li, W.","Electroluminescence from Singlet Excited-State of the Exciplex between (2,3-Dicarbonitrilopyrazino[2,3-f][1,10]phenanthroline)Re(CO)3Cl and CBP","Journal of Physical Chemistry C","2008","112","10","3920","","10.1021/jp075621u","","","0.71073","MoKα","","0.0436","0.0258","","","0.0511","0.0563","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504378","6.315","0.0013","6.5616","0.0013","8.6926","0.0017","90","","90","","90","","360.19","0.12","295","2","295","2","","","1100000","","","","","4","P n m a","-P 2ac 2n","62","chloroiodomethane","chloroiodomethane, polymorph III","","- C H2 Cl I -","- C H2 Cl I -","- C4 H8 Cl4 I4 -","4","0.5","","Podsiadło, Marcin; Katrusiak, Andrzej","Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2.","The journal of physical chemistry. B","2008","112","17","5355","5362","10.1021/jp8006574","","","0.71073","MoKα","","0.0256","0.0207","","","0.0511","0.0533","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504379","6.3026","0.0013","6.5131","0.0013","8.6599","0.0017","90","","90","","90","","355.48","0.12","295","2","295","2","","","1290000","","","","","4","P n m a","-P 2ac 2n","62","chloroiodomethane","chloroiodomethane, polymorph III","","- C H2 Cl I -","- C H2 Cl I -","- C4 H8 Cl4 I4 -","4","0.5","","Podsiadło, Marcin; Katrusiak, Andrzej","Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2.","The journal of physical chemistry. B","2008","112","17","5355","5362","10.1021/jp8006574","","","0.71073","MoKα","","0.033","0.032","","","0.0839","0.0852","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504380","6.2105","0.0012","6.3402","0.0013","8.5189","0.0017","90","","90","","90","","335.44","0.12","295","2","295","2","","","2330000","","","","","4","P n m a","-P 2ac 2n","62","chloroiodomethane","chloroiodomethane, polymorph III","","- C H2 Cl I -","- C H2 Cl I -","- C4 H8 Cl4 I4 -","4","0.5","","Podsiadło, Marcin; Katrusiak, Andrzej","Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2.","The journal of physical chemistry. B","2008","112","17","5355","5362","10.1021/jp8006574","","","0.71073","MoKα","","0.0385","0.0357","","","0.0855","0.0877","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504394","7.4081","0.001","9.4034","0.0014","5.754","0.003","90","","90","","90","","400.8","0.2","295","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","chloroform","trichloromethane","","- C H Cl3 -","- C H Cl3 -","- C4 H4 Cl12 -","4","0.5","","Dziubek, Kamil F.; Katrusiak, Andrzej","Polar symmetry in new high-pressure phases of chloroform and bromoform.","The journal of physical chemistry. B","2008","112","38","12001","12009","10.1021/jp8020134","","x-ray","0.71073","MoKα","","0.0467","0.0355","","","0.0951","0.1067","","","","","","0.917","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504402","7.141","0.005","4.431","0.003","6.748","0.004","90","","90","","90","","213.5","0.2","225","1","225","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- B H4 Li -","- B H4 Li -","- B4 H16 Li4 -","4","0.5","","Filinchuk, Yaroslav; Chernyshov, Dmitry; Cerny, Radovan","Lightest Borohydride Probed by Synchrotron X-ray Diffraction: Experiment Calls for a New Theoretical Revision","Journal of Physical Chemistry C","2008","112","28","10579","","10.1021/jp8025623","","","0.71069","MoKα","","0.0459","0.0455","","","0.1318","0.1326","","","","","","1.175","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504786","10.4642","0.0016","6.7373","0.001","21.759","0.003","90","","90","","90","","1534","0.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H5 F6 S4 Sb -","- C13 H5 F6 S4 Sb -","- C52 H20 F24 S16 Sb4 -","4","0.5","","Beer, Leanne; Reed, Robert W.; Robertson, Craig M.; Oakley, Richard T.; Tham, Fook S.; Haddon, Robert C.","Tetrathiophenalenyl radical and its disulfide-bridged dimer.","Organic letters","2008","10","14","3121","3123","10.1021/ol801159z","","","0.71073","MoKα","","0.0575","0.0399","","","0.0961","0.1033","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504922","11.0312","0.0012","16.3017","0.0017","10.8502","0.0012","90","","90","","90","","1951.2","0.4","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H33 B O2 -","- C20 H33 B O2 -","- C80 H132 B4 O8 -","4","0.5","","Finke, Aaron D.; Moore, Jeffrey S.","Iterative synthesis of 1,3,5-polyphenylene dendrons via C-H activation.","Organic letters","2008","10","21","4851","4854","10.1021/ol8019605","","","0.71073","MoKα","","0.0743","0.0442","","","0.1069","0.1232","","","","","","1.072","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1505104","20.0578","0.0004","19.9466","0.0004","13.407","0.0003","90","","90","","90","","5363.94","0.19","293","","293","","","","","","","","reaction solution","5","P n m a","-P 2ac 2n","62","TPA-Silicalite-1","catena-(octatetraconta-oxa-tricosa-silicon tetra-n-propyl-ammonium hydroxide)","","- C12 H29 N O49 Si24 -","- C12 N O49 Si24 -","- C48 N4 O196 Si96 -","4","0.5","","Schmidt, Wolfgang; Wilczok, Ursula; Weidenthaler, Claudia; Medenbach, Olaf; Goddard, Richard; Buth, Gernot; Cepak, Alexander","Preparation and morphology of pyramidal MFI single-crystal segments.","The journal of physical chemistry. B","2007","111","48","13538","13543","10.1021/jp075934p","","","1.54188","CuKα","","0.1166","0.0663","","","0.1826","0.2308","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505105","20.0837","0.0009","19.97","0.0009","13.4146","0.0004","90","","90","","90","","5380.2","0.4","293","","293","","","","","","","","reaction solution","5","P n m a","-P 2ac 2n","62","TPA ZSM-5","tetra-n-propyl-ammonium hydroxide tecto-alumosilicate","","- C12 H29 N O49 Si24 -","- C12 N O49 Si24 -","- C48 N4 O196 Si96 -","4","0.5","","Schmidt, Wolfgang; Wilczok, Ursula; Weidenthaler, Claudia; Medenbach, Olaf; Goddard, Richard; Buth, Gernot; Cepak, Alexander","Preparation and morphology of pyramidal MFI single-crystal segments.","The journal of physical chemistry. B","2007","111","48","13538","13543","10.1021/jp075934p","","","0.71073","MoKα","","0.1739","0.0819","","","0.1746","0.218","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505135","20.64","0.0004","6.718","0.0008","11.579","0.0007","90","","90","","90","","1605.5","0.2","150","1","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H30 N O -","- C20 H30 N O -","- C80 H120 N4 O4 -","4","0.5","","Debuigne, Antoine; Chan-Seng, Delphine; Li, Lichun; Hamer, Gordon K.; Georges, Michael K.","Synthesis and Evaluation of Sterically Hindered 1,1-Diadamantyl Nitroxide as a Low-Temperature Mediator for the Stable Free Radical Polymerization Process","Macromolecules","2007","40","17","6224","","10.1021/ma070691k","","","0.71073","MoKα","","0.1234","0.0651","","","0.1733","0.2025","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505187","11.231","0.002","12.33","0.002","6.9082","0.0012","90","","90","","90","","956.6","0.3","297","2","297","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C2 H5 O5.5 -","- C2 H5 O5.5 -","- C16 H40 O44 -","8","1","","Wenger, Mazal; Bernstein, Joel","Cocrystal Design Gone Awry? A New Dimorphic Hydrate of Oxalic Acid","Molecular Pharmaceutics","2007","4","3","355","","10.1021/mp070006w","","","0.71073","MoKα","","0.0605","0.0571","","","0.1745","0.1795","","","","","","1.073","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505914","11.365","0.005","21.338","0.006","16.49","0.02","90","","90","","90","","3999","5","298.1","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C48 H55 N O4 -","- C48 H55 N O4 -","- C192 H220 N4 O16 -","4","0.5","","Sawada, Tsuyoshi; Nishiyama, Yousuke; Tabuchi, Wataru; Ishikawa, Makoto; Tsutsumi, Emi; Kuwahara, Yutaka; Shosenji, Hideto","Novel calixarene hemisphere synthesized via pinacol rearrangement of [2.1.2.1]metacyclophane.","Organic letters","2006","8","10","1995","1997","10.1021/ol060286y","","","0.7107","MoK\/Ya","","","0.077","","","","0.244","","","","","","0.994","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505985","9.0004","0.0008","6.8284","0.0006","15.7613","0.0014","90","","90","","90","","968.66","0.15","143","1","143","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C13 H13 N -","- C13 H13 N -","- C52 H52 N4 -","4","0.5","","Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.","A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.","Organic letters","2006","8","10","2167","2170","10.1021/ol0606536","","","0.71069","MoKα","","0.0514","0.0371","","","0.0911","0.1013","","","","","","0.962","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506224","17.351","0.004","23.605","0.005","14.941","0.003","90","","90","","90","","6119","2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C24.5 H25 Cl Cu F12 N8 P2 -","- C24.5 H25 Cl Cu F12 N8 P2 -","- C196 H200 Cl8 Cu8 F96 N64 P16 -","8","1","","Gong, Han-Yuan; Zheng, Qi-Yu; Zhang, Xiao-Hang; Wang, De-Xian; Wang, Mei-Xiang","Methylazacalix[4]pyridine: en route to Zn2±specific fluoresence sensors.","Organic letters","2006","8","21","4895","4898","10.1021/ol061928k","","","0.71073","MoKα","","0.0979","0.0439","","","0.0853","0.0912","","","","","","0.694","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506399","17.404","0.002","8.678","0.002","4.856","0.001","90","","90","","90","","733.4","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","152002","Benzonitrile-BF3","","- C7 H5 B F3 N -","- C7 H5 B F3 N -","- C28 H20 B4 F12 N4 -","4","0.5","","Phillips, J. A.; Giesen, D. J.; Wells, N. P.; Halfen, J. A.; Knutson, C. C.; Wrass, J. P.","Condensed-phase effects on the structural properties of C6H5CN-BF3 and (CH3)3CCN-BF3: IR spectra, crystallography, and computations.","The journal of physical chemistry. A","2005","109","36","8199","8208","10.1021/jp052495q","","x-ray","0.71073","MoKα","","0.0432","0.0378","","","0.1036","0.1079","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506450","10.2496","0.0011","6.7971","0.0007","10.6545","0.0011","90","","90","","90","","742.27","0.13","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","22_in_paper","","","- C5 H6 S3 -","- C5 H6 S3 -","- C20 H24 S12 -","4","0.5","","Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank","Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity.","Organic letters","2005","7","5","917","920","10.1021/ol047317e","","","0.71073","MoKα","","0.0392","0.0244","","","0.0536","0.058","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506451","17.2213","0.0007","7.005","0.0003","11.4894","0.0005","90","","90","","90","","1386.03","0.1","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","23alpha_in_paper","","","- C7 H11 Cl2 I S3 -","- C7 H10.608 Cl1.998 I S3 -","- C28 H42.432 Cl7.992 I4 S12 -","4","0.5","","Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank","Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity.","Organic letters","2005","7","5","917","920","10.1021/ol047317e","","","0.71073","MoKα","","0.0479","0.0301","","","0.0596","0.0649","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506770","7.933","0.004","26.589","0.015","5.906","0.003","90","","90","","90","","1245.8","1.1","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C16 H8 S3 -","- C16 H8 S3 -","- C64 H32 S12 -","4","0.5","","Okamoto, Toshihiro; Kudoh, Kenichi; Wakamiya, Atsushi; Yamaguchi, Shigehiro","General synthesis of thiophene and selenophene-based heteroacenes.","Organic letters","2005","7","23","5301","5304","10.1021/ol0523650","","","0.7107","MoKα","","0.0422","0.0417","","","0.0913","0.0915","","","","","","1.218","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506814","9.4889","0.0009","8.3221","0.0006","7.718","0.0005","90","","90","","90","","609.47","0.08","233","2","233","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H5 Cl2 N O -","- C3 H5 Cl2 N O -","- C12 H20 Cl8 N4 O4 -","4","0.5","","Hinchley, Sarah L.; Robertson, Heather E.; McLachlan, Lorna J.; Morrison, Carole A.; Rankin, David W. H.; Simpson, Stephen J.; Thomas, Emrys W.","Conformational Analysis with Both Experimental and Computational Data for Both Gaseous and Crystalline Phases: Unexpected Interactions inN-Methyldichloroacetamide","The Journal of Physical Chemistry A","2004","108","1","185","","10.1021/jp036478h","","","0.71073","MoKα","","0.0437","0.0328","","0.0881","0.082","","","","1.07","1.106","1.106","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507060","25.122","0.008","7.078","0.002","7.922","0.003","90","","90","","90","","1408.6","0.8","298","","","","","","","","","","Local laboratory","4","P n m a","-P 2ac 2n","62","","8-Thiabicyclo[3.2.1]octa-2,6-diene 8,8-dioxide","","- C7 H8 O2 S2 -","- C7 H5 O2 S -","- C56 H40 O16 S8 -","8","1","","Ishii, Akihiko; Kashiura, Satoshi; Oshida, Hideaki; Nakayama, Juzo","First isolation of eclipsed vic-disulfoxide: 7,8-dithiabicyclo[4.2.1]nona-2,4-diene 7-exo,8-exo-dioxide.","Organic letters","2004","6","15","2623","2626","10.1021/ol049031f","","","1.54178","CuKα","","0.0993","0.0934","","","0.244","0.2494","","","","","","1.154","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507222","15.475","0.0002","8.8408","0.0001","25.0585","0.0004","90","","90","","90","","3428.29","0.08","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26.553 H26 Cd3 Cl1.447 N8.553 O3 -","- C26.553 H26 Cd3 Cl1.447 N8.553 O3 -","- C106.212 H104 Cd12 Cl5.788 N34.212 O12 -","4","0.5","","Yoshikawa, Hirofumi; Nishikiori, Shin-ichi; Ishida, Toshimasa","Crystal Structure and Spectroscopic Properties of the CT Complex of Methyl Viologen Dication ando-Dimethoxybenzene Included in a Polycyano−Polycadmate Host and Electrostatic Effects on Its CT Absorption","The Journal of Physical Chemistry B","2003","107","35","9261","","10.1021/jp035030d","","","0.71069","MoKα","","0.072","0.0324","","","0.0733","0.1075","","","","","","0.881","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507561","6.6209","0.0017","13.5606","0.0025","8.0462","0.0015","90","","90","","90","","722.4","0.3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","1,3,5-trihydroxybenzene dihydrate","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","0.5","","Braun, Doris E.; Tocher, Derek A.; Price, Sarah L.; Griesser, Ulrich J.","The complexity of hydration of phloroglucinol: a comprehensive structural and thermodynamic characterization.","The journal of physical chemistry. B","2012","116","13","3961","3972","10.1021/jp211948q","","","0.71073","MoKα","","0.0444","0.0373","","","0.0895","0.0932","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507653","12.2405","0.0016","14.1448","0.0019","4.6082","0.0006","90","","90","","90","","797.86","0.18","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C32 H28 N12 O8 -","4","0.5","","Kang, Sung Ok; Vukovic, Sinisa; Custelcean, Radu; Hay, Benjamin P.","Cyclic Imide Dioximes: Formation and Hydrolytic Stability","Industrial & Engineering Chemistry Research","2012","51","19","6619","","10.1021/ie300492z","","","0.71073","MoKα","","0.0517","0.0466","","","0.1186","0.1229","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507761","8.3242","0.0003","7.2502","0.0003","11.8875","0.0004","90","","90","","90","","717.44","0.05","293","","293","","","","","","","","Thermal decomposition of K2(H5O2)Al2F9 Le Bail, A., Duroy, H. and Fourquet, J.L. (1992). J. Solid State Chem. 98, 151-158.","3","P n m a","-P 2ac 2n","62","potassium tetrafluoroaluminate","","","- Al F4 K -","- Al F4 K -","- Al8 F32 K8 -","8","1","","Le Bail, A","Ab initio structure determination of theta-KAlF4 with edge-sharing AlF6 octahedra","Powder Diffraction","2009","24","3","185","190","10.1154/1.3194692","powder diffraction","","","X-ray","","","","","","","","","4.9679","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507768","13.5135","0.00016","7.04327","0.00013","12.2253","0.0002","90","","90","","90","","1163.59","0.03","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Al3 F12 H4 K3 O2 -","- Al3 F12 K3 O2 -","- Al12 F48 K12 O8 -","4","0.5","","Le Bail, A","Thermodiffractometry and crystal structures of the hexagonal-tungsten-bronze-related K3Al3F12.nH2O (n=2,1)","Powder Diffraction","2009","24","","292","300","10.1154/1.3257585","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508071","17.482","0.004","12.657","0.003","12.915","0.003","90","","90","","90","","2857.7","1.2","120","1","120","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C32 H40 N4 U -","- C32 H25 N4 U -","- C128 H100 N16 U4 -","4","0.5","","Thomson, Robert K.; Cantat, Thibault; Scott, Brian L.; Morris, David E.; Batista, Enrique R.; Kiplinger, Jaqueline L.","Uranium azide photolysis results in C-H bond activation and provides evidence for a terminal uranium nitride.","Nature chemistry","2010","2","9","723","729","10.1038/nchem.705","","","0.71073","MoKα","","0.0736","0.0568","","","0.1599","0.1625","","","","","","2.211","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508408","12.1143","0.0008","3.9556","0.0003","14.2781","0.0009","90","","90","","90","","684.2","0.08","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Lu2 S4 -","- Ba Lu2 S4 -","- Ba4 Lu8 S16 -","4","0.5","","Schurz, Christian M.; Schleid, Thomas","Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure","Crystals","2012","1","3","78","86","10.3390/cryst1030078","","","0.71069","MoKα","","0.0739","0.0643","","","0.1306","0.1361","","","","","","1.186","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508409","12.6132","0.0008","4.1089","0.0003","14.8774","0.0009","90","","90","","90","","771.04","0.09","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Lu2 Se4 -","- Ba Lu2 Se4 -","- Ba4 Lu8 Se16 -","4","0.5","","Schurz, Christian M.; Schleid, Thomas","Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure","Crystals","2012","1","3","78","86","10.3390/cryst1030078","","","0.71069","MoKα","","0.0303","0.0259","","","0.0566","0.058","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508410","13.5358","0.0008","4.3847","0.0003","15.9362","0.0009","90","","90","","90","","945.82","0.1","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Lu2 Te4 -","- Ba Lu2 Te4 -","- Ba4 Lu8 Te16 -","4","0.5","","Schurz, Christian M.; Schleid, Thomas","Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure","Crystals","2012","1","3","78","86","10.3390/cryst1030078","","","0.71069","MoKα","","0.0901","0.0603","","","0.0938","0.1032","","","","","","1.181","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508435","13.9751","0.001","6.2091","0.0004","6.3753","0.0004","90","","90","","90","","553.2","0.06","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cu H3 O7 S Tb -","- Cu H3 O7 S Tb -","- Cu4 H12 O28 S4 Tb4 -","4","0.5","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.0198","0.0188","","","0.0482","0.0486","","","","","","1.146","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508438","7.0908","0.0006","7.2442","0.0006","10.3789","0.0009","90","","90","","90","","533.13","0.08","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Gd H3 Ni O7 S -","- Gd H3 Ni O7 S -","- Gd4 H12 Ni4 O28 S4 -","4","0.5","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.0219","0.0182","","","0.0432","0.0443","","","","","","1.074","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508439","7.0438","0.0015","7.2424","0.0015","10.333","0.002","90","","90","","90","","527.13","0.19","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H3 Ni O7 S Tb -","- H3 Ni O7 S Tb -","- H12 Ni4 O28 S4 Tb4 -","4","0.5","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.0218","0.0202","","","0.0528","0.0536","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508440","6.9667","0.0008","7.2008","0.0008","10.2499","0.0012","90","","90","","90","","514.19","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Dy H3 Ni O7 S -","- Dy H3 Ni O7 S -","- Dy4 H12 Ni4 O28 S4 -","4","0.5","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.025","0.0214","","","0.055","0.0562","","","","","","1.028","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508443","22.843","0.006","4.7892","0.0012","16.861","0.004","90","","90","","90","","1844.6","0.8","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As6 Ga3 Na8 Rb -","- As6 Ga3 Na8 Rb -","- As24 Ga12 Na32 Rb4 -","4","0.5","","He, Hua; Tyson,Chauntae; Bobev, Svilen","Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6","Crystals","2012","2","2","213","223","10.3390/cryst2020213","","","0.71073","MoKα","","0.0619","0.0326","","","0.0521","0.0611","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508444","22.276","0.003","4.6947","0.0006","16.356","0.002","90","","90","","90","","1710.5","0.4","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ga3 Na8 P6 Rb -","- Ga3 Na8 P6 Rb -","- Ga12 Na32 P24 Rb4 -","4","0.5","","He, Hua; Tyson,Chauntae; Bobev, Svilen","Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6","Crystals","2012","2","2","213","223","10.3390/cryst2020213","","","0.71073","MoKα","","0.0698","0.041","","","0.0625","0.0707","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508453","42.054","0.004","12.3735","0.0009","4.276","0.0003","90","","90","","90","","2225","0.3","273","","273","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H10 Au N4 S6 Se2 -","- C16 H10 Au N4 S6 Se2 -","- C64 H40 Au4 N16 S24 Se8 -","4","0.5","","Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji","Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts","Crystals","2012","2","2","393","412","10.3390/cryst2020393","","","0.71075","MoKα","","0.0593","0.0535","","","0.1123","0.1154","","","","","","1.214","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508512","12.1108","0.0003","14.3211","0.0003","10.3258","0.0003","90","","90","","90","","1790.91","0.08","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H12 B F N6 -","- C24 H12 B F N6 -","- C96 H48 B4 F4 N24 -","4","0.5","","Fulford, Mabel V.; Jaidka, Damish; Paton, Andrew S.; Morse, Graham E.; Brisson, Emma R. L.; Lough, Alan J.; Bender, Timothy P.","Crystal Structures, Reaction Rates, and Selected Physical Properties of Halo-Boronsubphthalocyanines (Halo = Fluoride, Chloride, and Bromide)","Journal of Chemical & Engineering Data","2012","57","10","2756","","10.1021/je3005112","","","0.71073","MoKα","","0.0507","0.0382","","","0.0896","0.0985","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508513","12.0161","0.0004","15.0606","0.0005","10.4064","0.0005","90","","90","","90","","1883.24","0.13","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H12 B Br N6 -","- C24 H12 B Br N6 -","- C96 H48 B4 Br4 N24 -","4","0.5","","Fulford, Mabel V.; Jaidka, Damish; Paton, Andrew S.; Morse, Graham E.; Brisson, Emma R. L.; Lough, Alan J.; Bender, Timothy P.","Crystal Structures, Reaction Rates, and Selected Physical Properties of Halo-Boronsubphthalocyanines (Halo = Fluoride, Chloride, and Bromide)","Journal of Chemical & Engineering Data","2012","57","10","2756","","10.1021/je3005112","","","0.71073","MoKα","","0.1142","0.0559","","","0.0994","0.1191","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508992","7.645","","15.04","","7.881","","90","","90","","90","","906.164","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Neodymium argentide silicide (5/0.5/3.5)","","- Ag0.5 Nd5 Si3.5 -","- Ag0.5 Nd5 Si3.5 -","- Ag2 Nd20 Si14 -","4","0.5","","Zaplatynsky, O.V.; Stepen'-Damm, Yu.; Salamakha, P.S.; Prots', Yu.M.; Bodak, O.I.","Crystal structure of the compound Nd5 Ag0.5 Si3.5","Journal of Alloys Compd.","1995","221","","91","93","10.1016/0925-8388(94)01379-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509068","38.754","","4.344","","5.926","","90","","90","","90","","997.627","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Calcium copper silver (1/0.8/0.2)","","- Ag0.2 Ca Cu0.8 -","- Ag0.2 Ca Cu0.8 -","- Ag4 Ca20 Cu16 -","20","2.5","","Merlo, F.; Fornasini, M.L.","Stacking variants of the Fe B - Cr B types in the pseudobinary systems Ca Cu1-x Agx and Ca Cu1-x Znx","Journal of the Less-Common Metals","1985","109","","135","146","10.1016/0022-5088(85)90113-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509095","53.68","","4.11","","15.4","","90","","90","","90","","3397.62","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Silver lead bismuth selenium sulfide *","","- Ag0.32 Bi8.55 Pb5.09 S11.97 Se6.03 -","- Ag0.33 Bi8.58 Pb5.09 S11.97 Se6.03 -","- Ag1.32 Bi34.32 Pb20.36 S47.88 Se24.12 -","4","0.5","","Mumme, W.G.","Weibullite Ag0.32 Pb5.09 Bi8.55 Se6.08 S11.92: A higher homologue of galenobismutite","Canadian Mineralogist","1980","18","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509158","16.431","","4.7679","","6.3627","","90","","90","","90","","498.463","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr0.95 Ca0.05 Ag","","- Ag Ca0.05 Sr0.95 -","- Ag Ca0.0505 Sr0.9495 -","- Ag8 Ca0.404 Sr7.596 -","8","1","","Burggraf, F.; Harms, W.; Duerr, I.; Daub, M.; Roehr, C.","Ca Ag - Sr Ag - Ba Ag: Between CrB and FeB structure type","Zeitschrift fuer Anorganische und Allgemeine Chemie","2008","634","","2255","2266","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509159","24.122","","4.7275","","6.2617","","90","","90","","90","","714.064","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr0.61 Ca0.39 Ag","","- Ag Ca0.39 Sr0.61 -","- Ag Ca0.385333 Sr0.614667 -","- Ag12 Ca4.624 Sr7.376 -","12","1.5","","Duerr, I.; Daub, M.; Harms, W.; Burggraf, F.; Roehr, C.","Ca Ag - Sr Ag - Ba Ag: Between CrB and FeB structure type","Zeitschrift fuer Anorganische und Allgemeine Chemie","2008","634","","2255","2266","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509161","48.0005","","4.718","","6.2411","","90","","90","","90","","1413.4","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr0.51 Ca0.49 Ag","","- Ag Ca0.49 Sr0.51 -","- Ag Ca0.491667 Sr0.508333 -","- Ag24 Ca11.8 Sr12.2 -","24","3","","Roehr, C.; Burggraf, F.; Duerr, I.; Daub, M.; Harms, W.","Ca Ag - Sr Ag - Ba Ag: Between CrB and FeB structure type","Zeitschrift fuer Anorganische und Allgemeine Chemie","2008","634","","2255","2266","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509162","4.137","","11.54","","4.699","","90","","90","","90","","224.335","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr0.30 Ca0.70 Ag","","- Ag Ca0.7 Sr0.3 -","- Ag Ca0.7 Sr0.3 -","- Ag8 Ca5.6 Sr2.4 -","8","1","","Daub, M.; Harms, W.; Roehr, C.; Burggraf, F.; Duerr, I.","Ca Ag - Sr Ag - Ba Ag: Between CrB and FeB structure type","Zeitschrift fuer Anorganische und Allgemeine Chemie","2008","634","","2255","2266","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509165","7.708","","4.59","","8.393","","90","","90","","90","","296.942","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ag Ca Sb -","- Ag Ca Sb -","- Ag4 Ca4 Sb4 -","4","0.5","","Merlo, F.; Fornasini, M.L.; Pani, M.","RMX compounds formed ba alkaline earths, europium and ytterbium. I. Ternary phases with M= Cu, Ag, Au; X= Sb, Bi","Journal of the Less-Common Metals","1990","166","","319","327","10.1016/0022-5088(90)90014-B","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509196","7.575","","6.97","","9.792","","90","","90","","90","","516.996","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Ag F) (As F6)","","- Ag As F7 -","- Ag As F7 -","- Ag4 As4 F28 -","4","0.5","","Bartlett, N.; Casteel, W.J.jr.; Borrmann, H.; Lucier, G.; Hagiwara, R.","Structural and magnetic properties of some (Ag F)(+) salts","Journal of Solid State Chemistry","1992","96","","84","96","10.1016/S0022-4596(05)80300-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509197","7.19","","7.39","","10.32","","90","","90","","90","","548.344","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rb Ag Fe.55 Al.45 F6","","- Ag Al0.45 F6 Fe0.55 Rb -","- Ag Al0.45 F6 Fe0.55 Rb -","- Ag4 Al1.8 F24 Fe2.2 Rb4 -","4","0.5","","Mueller, B.G.","Zur Struktur quaternaerer Fluoride mit Zweiwertigem Silber: Me(I) Ag(II) Me(III) F6 mit Me(I) = Rb, Cs und Me(III) = Al Ga Fe","Journal of Fluorine Chemistry","1981","17","","317","329","10.1016/S0022-1139(00)81778-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509203","7.38","","7.241","","10.352","","90","","90","","90","","553.196","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs Ag Al F6","","- Ag Al Cs F6 -","- Ag Al Cs F6 -","- Ag4 Al4 Cs4 F24 -","4","0.5","","Mueller, B.G.","Zur Struktur quaternaerer Fluoride mit zweiwertigem Silber: Me(I) Ag(II) Me(III) F6 mit Me(I) = Rb, Cs und Me(III) = Al, Ga, Fe","Journal of Fluorine Chemistry","1981","17","","317","329","10.1016/S0022-1139(00)81778-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509210","8.089","","5.312","","6.752","","90","","90","","90","","290.125","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ag (B F4)","","- Ag B F4 -","- Ag B F4 -","- Ag4 B4 F16 -","4","0.5","","Goreshnik, E.; Mazej, Z.","X-ray single crystal structure and vibrational spectra of Ag B F4","Solid State Sciences","2005","7","","1225","1229","10.1016/j.solidstatesciences.2005.06.007","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509216","8.3078","","4.7935","","6.4493","","90","","90","","90","","256.833","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr0.84 Ba0.16 Ag","","- Ag Ba0.16 Sr0.84 -","- Ag Ba0.157 Sr0.843 -","- Ag4 Ba0.628 Sr3.372 -","4","0.5","","Harms, W.; Burggraf, F.; Duerr, I.; Daub, M.; Roehr, C.","Ca Ag - Sr Ag - Ba Ag: Between CrB and FeB structure type","Zeitschrift fuer Anorganische und Allgemeine Chemie","2008","634","","2255","2266","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509217","8.324","","4.8279","","6.4737","","90","","90","","90","","260.161","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr0.74 Ba0.26 Ag","","- Ag Ba0.26 Sr0.74 -","- Ag Ba0.26 Sr0.74 -","- Ag4 Ba1.04 Sr2.96 -","4","0.5","","Burggraf, F.; Harms, W.; Daub, M.; Duerr, I.; Roehr, C.","Ca Ag - Sr Ag - Ba Ag: Between CrB and FeB structure type","Zeitschrift fuer Anorganische und Allgemeine Chemie","2008","634","","2255","2266","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509218","8.5542","","4.9205","","6.5794","","90","","90","","90","","276.933","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr0.23 Ba0.77 Ag","","- Ag Ba0.77 Sr0.23 -","- Ag Ba0.771 Sr0.229 -","- Ag4 Ba3.084 Sr0.916 -","4","0.5","","Roehr, C.; Daub, M.; Duerr, I.; Harms, W.; Burggraf, F.","Ca Ag - Sr Ag - Ba Ag: Between CrB and FeB structure type","Zeitschrift fuer Anorganische und Allgemeine Chemie","2008","634","","2255","2266","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509223","16.154","","11.108","","10.914","","90","","90","","90","","1958.39","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sc3 Ag S6","","- Ag Ba S6 Sc3 -","- Ag Ba S6 Sc3 -","- Ag8 Ba8 S48 Sc24 -","8","1","","Ibers, J.A.; Wu, P.; Cody, J.A.; Pell, M.A.","Synthesis and structure of Ba Sc3 Ag S6","Journal of Alloys Compd.","1995","224","","199","202","10.1016/0925-8388(95)01556-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509276","7.338","","7.564","","10.554","","90","","90","","90","","585.796","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs Ag (Fe F6)","","- Ag Cs F6 Fe -","- Ag Cs F6 Fe -","- Ag4 Cs4 F24 Fe4 -","4","0.5","","Mueller, B.G.","Zur Struktur quaternaerer Fluoride mit zweiwertigem Silber: Me(I) Ag(II) Me(III) F6 mit Me(I) = Rb, Cs und Me(III) = Al, Ga, Fe","Journal of Fluorine Chemistry","1981","17","","317","329","10.1016/S0022-1139(00)81778-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509312","8.037","","4.764","","6.258","","90","","90","","90","","239.608","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ag Eu -","- Ag Eu -","- Ag4 Eu4 -","4","0.5","","Buschow, K.H.J.; van Vucht, J.H.N.; van den Hoogenhof, W.W.","The crystal structures of Eu3 Ag2, Eu Ag and Eu Cu","Journal of the Less-Common Metals","1980","75","","P17","P22","10.1016/0022-5088(80)90384-7","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509313","7.774","","4.63","","8.988","","90","","90","","90","","323.511","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Eu Ag Mg","","- Ag Eu Mg -","- Ag1.032 Eu Mg0.968 -","- Ag4.128 Eu4 Mg3.872 -","4","0.5","","Poettgen, R.; Fickenscher, T.","Synthesis and Crystal Structures of REAgMg (RE = La, Ce, Nd, Eu, Gd, Tb, Ho, Tm, and Yb)","Journal of Solid State Chemistry","2001","161","","67","72","10.1006/jssc.2001.9268","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509392","10.258","","4.886","","20.063","","90","","90","","90","","1005.57","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb2 Ag I3","","- Ag I3 Rb2 -","- Ag I3 Rb2 -","- Ag4 I12 Rb8 -","4","0.5","","Brown, I.D.; Howard-Lock, H.E.; Natarajan-Iyer, M.","The crystal structure and polarised Raman spectrum of Rb2 Ag I3","Canadian Journal of Chemistry","1977","55","","1511","1514","10.1139/v77-210","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509440","19.593","","3.9963","","18.2973","","90","","90","","90","","1432.67","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","La5 Ti2 Ag S5 O7","","- Ag La5 O7 S5 Ti2 -","- Ag La5 O7 S5 Ti2 -","- Ag4 La20 O28 S20 Ti8 -","4","0.5","","Lafond, A.; Moelo, Y.; Cario, L.; Guillot-Deudon, C.; Meerschaut, A.; Meignen, V.","Crystal structures of two new oxysulfides La5 Ti2 M S5 O7 (M = Cu, Ag): evidence of anionic segregation","Journal of Solid State Chemistry","2004","177","","2810","2817","10.1016/j.jssc.2004.04.023","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509536","7.6693","","4.591","","8.3755","","90","","90","","90","","294.899","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Yb Ag Sb","","- Ag Sb Yb -","- Ag Sb Yb -","- Ag4 Sb4 Yb4 -","4","0.5","","Rogl, P.; Flandorfer, H.; Ferro, R.; Hiebl, K.; Saccone, A.; Godart, C.","The crystal structure and magnetic properties of Yb M Sb, M = Cu, Ag, Au","Journal of Alloys Compd.","1997","256","","170","174","10.1016/S0925-8388(96)03007-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509539","7.4756","","4.6375","","8.69","","90","","90","","90","","301.266","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tl Ag Se","","- Ag Se Tl -","- Ag Se Tl -","- Ag4 Se4 Tl4 -","4","0.5","","Klepp, K.O.","Thallium silver chalcogenides of the ordered anti-Pb Cl2 - structure type","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1980","111","","1433","1436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509551","41.315","","4.7879","","6.3881","","90","","90","","90","","1263.64","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Sr Ag","","- Ag Sr -","- Ag Sr -","- Ag20 Sr20 -","20","2.5","","Daub, M.; Harms, W.; Roehr, C.; Duerr, I.; Burggraf, F.","Ca Ag - Sr Ag - Ba Ag: Between CrB and FeB structure type","Zeitschrift fuer Anorganische und Allgemeine Chemie","2008","634","","2255","2266","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509557","8.754","","4.854","","7.75","","90","","90","","90","","329.312","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ag Tl Te","","- Ag Te Tl -","- Ag Te Tl -","- Ag4 Te4 Tl4 -","4","0.5","","Liautard, B.; Tedenac, J.C.; Ayral-Marin, R.M.; Maurin, M.; Brun, G.","Modifications structurales","Journal of Physics and Chemistry of Solids","1988","49","","939","944","10.1016/0022-3697(88)90011-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509566","7.59","","4.67","","6.031","","90","","90","","90","","213.771","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ag Yb -","- Ag Yb -","- Ag4 Yb4 -","4","0.5","","Palenzona, A.","The ytterbium-silver system","Journal of the Less-Common Metals","1970","21","","443","446","10.1016/0022-5088(70)90049-4","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509576","7.5366","","4.4649","","8.872","","90","","90","","90","","298.544","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Yb Ag Mg","","- Ag1.053 Mg0.947 Yb -","- Ag1.053 Mg0.947 Yb -","- Ag4.212 Mg3.788 Yb4 -","4","0.5","","Fickenscher, T.; Poettgen, R.","Synthesis and Crystal Structures of REAgMg (RE = La, Ce, Nd, Eu, Gd, Tb, Ho, Tm, and Yb)","Journal of Solid State Chemistry","2001","161","","67","72","10.1006/jssc.2001.9268","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509583","24.3467","","4.7397","","6.292","","90","","90","","90","","726.072","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr0.9 Ca0.3 Ag1.2","","- Ag1.2 Ca0.3 Sr0.9 -","- Ag1.2 Ca0.304 Sr0.896 -","- Ag12 Ca3.04 Sr8.96 -","10","1.25","","Roehr, C.; Burggraf, F.; Duerr, I.; Harms, W.; Daub, M.","Ca Ag - Sr Ag - Ba Ag: Between CrB and FeB structure type","Zeitschrift fuer Anorganische und Allgemeine Chemie","2008","634","","2255","2266","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509670","9.998","","6.989","","5.474","","90","","90","","90","","382.501","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ag2 Mn O4 -","- Ag2 Mn O4 -","- Ag8 Mn4 O16 -","4","0.5","","Chang, F.M.; Jansen, M.","Darstellung und Kristallstruktur von Ag2 Mn O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1983","507","","59","65","10.1002/zaac.19835071207","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509676","12.2188","","26.3725","","6.7517","","90","","90","","90","","2175.67","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ag2 Nb (P2 S6) S2","","- Ag2 Nb P2 S8 -","- Ag2 Nb P2 S8 -","- Ag16 Nb8 P16 S64 -","8","1","","Bensch, W.; Wu Yuandong","Syntheses, crystal structures and spectroscopic properties of Ag2 Nb [P2 S6] [S2] and K Ag2 [P S4]","Journal of Solid State Chemistry","2009","182","","471","478","10.1016/j.jssc.2008.11.017","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509685","8.6415","","7.561","","12.4513","","90","","90","","90","","813.548","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ag2 ((U O2) (W O4)2)","","- Ag2 O10 U W2 -","- Ag2 O10 U W2 -","- Ag8 O40 U4 W8 -","4","0.5","","Krivovichev, S.V.; Burns, P.C.","A novel rigid uranyl tungstate sheet in the structures of Na2 ((U O2) W2 O8) and alpha- and beta-(Ag2 ((U O2) W2 O8))","Solid State Sciences","2003","5","","373","381","10.1016/S1293-2558(03)00009-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509782","10.063","","7.029","","5.54","","90","","90","","90","","391.86","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ag2 Cr O4 -","- Ag2 Cr O4 -","- Ag8 Cr4 O16 -","4","0.5","","Jacobson, R.A.; Hackert, M.L.","The Crystal Structure of Silver Chromate","Journal of Solid State Chemistry","1971","3","","364","368","10.1016/0022-4596(71)90072-7","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509783","12.599","","12.607","","14.067","","90","","90","","90","","2234.34","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K5 (Ag2 As3 Se9)","","- Ag2 As3 K5 Se9 -","- Ag2 As3 K5 Se9 -","- Ag8 As12 K20 Se36 -","4","0.5","","Chou Junhong; Kanatzidis, M.G.","Isolation of beta-Ag3 As Se3, (Me3 N H) (Ag3 As2 Se5), K5 Ag2 As3 Se9, and K Ag3 As2 S5 : novel solid state silver thio- and selenoarsenates from solvento-thermal synthesis","Journal of Solid State Chemistry","1996","127","","186","201","10.1006/jssc.1996.0375","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509845","8.111","","11.344","","20.728","","90","","90","","90","","1907.21","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ag3 (As Se3)","","- Ag3 As Se3 -","- Ag3 As Se3 -","- Ag36 As12 Se36 -","12","1.5","","Chou Junhong; Kanatzidis, M.G.","Isolation of beta-Ag3 As Se3, (Me3 N H) (Ag3 As2 Se5), K5 Ag2 As3 Se9, and K Ag3 As2 S5 : novel solid state silver thio- and selenoarsenates from solvento-thermal synthesis","Journal of Solid State Chemistry","1996","127","","186","201","10.1006/jssc.1996.0375","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509856","19.21","","16.867","","6.3491","","90","","90","","90","","2057.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K (Ag3 As2 S5)","","- Ag3 As2 K S5 -","- Ag3 As2 K S5 -","- Ag24 As16 K8 S40 -","8","1","","Kanatzidis, M.G.; Chou Junhong","Isolation of beta-Ag3 As Se3, (Me3 N H) (Ag3 As2 Se5), K5 Ag2 As3 Se9, and K Ag3 As2 S5 : novel solid state silver thio- and selenoarsenates from solvento-thermal synthesis","Journal of Solid State Chemistry","1996","127","","186","201","10.1006/jssc.1996.0375","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510058","21.526","","4.494","","7.726","","90","","90","","90","","747.397","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca Au Ge","","- Au Ca Ge -","- Au Ca Ge -","- Au12 Ca12 Ge12 -","12","1.5","","Canepa, F.; Pani, M.; Merlo, F.; Fornasini, M.L.","Phases around the 1:1:1 composition in the Yb-Au-Ge and Ca-Au-Ge systems","Journal of Alloys Compd.","1998","264","","82","88","10.1016/S0925-8388(97)00278-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510059","7.382","","4.594","","8.394","","90","","90","","90","","284.665","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca Au In","","- Au Ca In -","- Au Ca In -","- Au4 Ca4 In4 -","4","0.5","","Hoffmann, R.D.; Kussmann, D.; Poettgen, R.","Syntheses and crystal structures of Ca Cu Ge, Ca Au In, and Ca Au Sn- three different superstructures of the K Hg2 type","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","","1727","1735","10.1002/(SICI)1521-3749(1998110)624:11<1727::AID-ZAAC1727>3.0.CO;2-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510063","36.903","","4.705","","8.136","","90","","90","","90","","1412.64","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca Au Sn","","- Au Ca Sn -","- Au Ca Sn -","- Au20 Ca20 Sn20 -","20","2.5","","Kussmann, D.; Hoffmann, R.D.; Poettgen, R.","Syntheses and crystal structures of Ca Cu Ge, Ca Au In, and Ca Au Sn- three different superstructures of the K Hg2 type","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","","1727","1735","10.1002/(SICI)1521-3749(1998110)624:11<1727::AID-ZAAC1727>3.0.CO;2-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510066","7.795","","10","","6.78","","90","","90","","90","","528.501","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Au Ca3 -","- Au Ca3 -","- Au4 Ca12 -","4","0.5","","Fornasini, M.L.; Pani, M.; Merlo, F.","Structures of Ca3 Au, Ca5 Au2, Sr3 Au2, Ba3 Au2 and alloying behaviour of the alkaline earths with Cu, Ag, Au","Revue de Chimie Minerale","1985","22","","791","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510076","7.552","","4.5059","","8.786","","90","","90","","90","","298.975","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Eu Au Cd","","- Au Cd Eu -","- Au Cd Eu -","- Au4 Cd4 Eu4 -","4","0.5","","Mosel, B.D.; Poettgen, R.; Rosenhahn, C.; Kaczorowski, D.; Mayer, P.; Hoffmann, R.D.; Piotrowski, H.; Mishra, R.","Ternary Rare Earth (RE) Gold Compounds REAuCd and RE2Au2Cd","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1283","1291","10.1002/1521-3749(200106)627:6<1283::AID-ZAAC1283>3.0.CO;2-L","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510081","7.3164","","4.3294","","8.758","","90","","90","","90","","277.415","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Yb Au Cd","","- Au Cd Yb -","- Au Cd Yb -","- Au4 Cd4 Yb4 -","4","0.5","","Poettgen, R.; Hoffmann, R.D.; Piotrowski, H.; Mishra, R.; Kaczorowski, D.; Rosenhahn, C.; Mayer, P.; Mosel, B.D.","Ternary Rare Earth (RE) Gold Compounds REAuCd and RE2Au2Cd","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1283","1291","10.1002/1521-3749(200106)627:6<1283::AID-ZAAC1283>3.0.CO;2-L","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510086","7.7414","","4.2111","","16.123","","90","","90","","90","","525.607","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ce2 (Au P3)","","- Au Ce2 P3 -","- Au Ce2 P3 -","- Au4 Ce8 P12 -","4","0.5","","Kotzyba, G.; Eschen, M.; Jeitschko, W.; Kuennen, B.","Semiconducting La2 Au P3, the metallic conductor Ce2 Au P3, and other rare-earth gold phosphides Ln2 Au P3 with two closely related crystal structures","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1699","1708","10.1002/1521-3749(200107)627:7<1699::AID-ZAAC1699>3.0.CO;2-V","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510089","18.366","","5.411","","4.6503","","90","","90","","90","","462.139","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Au (P F3) Cl","","- Au Cl F3 P -","- Au Cl F3 P -","- Au4 Cl4 F12 P4 -","4","0.5","","Wagner, M.; Bolte, M.; Schoedel, F.; Lerner, H.-W.","Chlor(trifluorphosphane)gold(I): [Au (P F3) Cl]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","652","654","10.1002/zaac.200500453","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510101","12.565","","7.273","","6.279","","90","","90","","90","","573.808","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs K2 Au O2","","- Au Cs K2 O2 -","- Au Cs K2 O2 -","- Au4 Cs4 K8 O8 -","4","0.5","","Hoppe, R.; Wagner, G.","Oxydation intermetallischer Phasen: CsK2(AuO2) aus CsAu und K2O2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","550","","41","49","10.1002/zaac.19875500706","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510130","7.606","","4.488","","8.758","","90","","90","","90","","298.961","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Eu Au Mg","","- Au Eu Mg -","- Au1.023 Eu0.962 Mg1.015 -","- Au4.092 Eu3.848 Mg4.06 -","4","0.5","","Hoffmann, R.D.; Moeller, M.H.; Rodewald, U.C.; Poettgen, R.; Renger, J.","Intermetallic Gold Compounds REAuMg (RE = Y, La-Nd, Sm, Eu, Gd-Yb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","2257","2263","10.1002/1521-3749(200011)626:11<2257::AID-ZAAC2257>3.0.CO;2-#","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510145","9.366","","15.052","","4.84","","90","","90","","90","","682.329","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Au F5 -","- Au F5 -","- Au8 F40 -","8","1","","Seppelt, K.; Hwang, I.-C.","Gold pentafluoride: structure and fluoride ion affinity","Angew. Chem. Int. ed.","2001","40","","3690","3693","10.1002/1521-3773(20011001)40:19<3690::AID-ANIE3690>3.0.CO;2-5","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510173","21.332","","4.485","","7.708","","90","","90","","90","","737.455","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Yb Au Ge","","- Au Ge Yb -","- Au Ge Yb -","- Au12 Ge12 Yb12 -","12","1.5","","Fornasini, M.L.; Pani, M.; Canepa, F.; Merlo, F.","Phases around the 1:1:1 composition in the Yb-Au-Ge and Ca-Au-Ge systems","Journal of Alloys Compd.","1998","264","","82","88","10.1016/S0925-8388(97)00278-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510181","7.025","","4.8922","","8.8482","","90","","90","","90","","304.092","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Au Ho2 -","- Au Ho2 -","- Au4 Ho8 -","4","0.5","","McMasters, O.D.; Gschneidner, K.A.jr.; Bruzzone, G.; Palenzona, A.","Stoichiometry, crystal structure and some melting points of the lanthanide-gold alloys","Journal of the Less-Common Metals","1971","25","","135","160","10.1016/0022-5088(71)90125-1","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510232","7.384","","4.362","","8.646","","90","","90","","90","","278.479","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Yb Au Mg","","- Au Mg Yb -","- Au Mg Yb -","- Au4 Mg4 Yb4 -","4","0.5","","Hoffmann, R.D.; Rodewald, U.C.; Moeller, M.H.; Poettgen, R.; Renger, J.","Intermetallic Gold Compounds REAuMg (RE = Y, La-Nd, Sm, Eu, Gd-Yb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","2257","2263","10.1002/1521-3749(200011)626:11<2257::AID-ZAAC2257>3.0.CO;2-#","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510233","6.114","","4.52","","8.256","","90","","90","","90","","228.157","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Au Mg2 -","- Au Mg2 -","- Au4 Mg8 -","4","0.5","","van Vucht, J.H.N.; Daams, J.L.C.","Contribution to the system Mg-Au-Hg","Philips Journal of Research","1984","39","","275","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510234","18.328","","13.561","","8.253","","90","","90","","90","","2051.25","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Au Mg2 -","- Au Mg2 -","- Au36 Mg72 -","36","4.5","","van Vucht, J.H.N.; Daams, J.L.C.","Contribution to the system Mg-Au-Hg","Philips Journal of Research","1984","39","","275","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510269","7.7092","","4.1875","","16.056","","90","","90","","90","","518.324","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pr2 (Au P3)","","- Au P3 Pr2 -","- Au P3 Pr2 -","- Au4 P12 Pr8 -","4","0.5","","Jeitschko, W.; Kuennen, B.; Kotzyba, G.; Eschen, M.","Semiconducting La2 Au P3, the metallic conductor Ce2 Au P3, and other rare-earth gold phosphides Ln2 Au P3 with two closely related crystal structures","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1699","1708","10.1002/1521-3749(200107)627:7<1699::AID-ZAAC1699>3.0.CO;2-V","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510276","7.21","","5.04","","9.25","","90","","90","","90","","336.13","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Au Pr2 -","- Au Pr2 -","- Au4 Pr8 -","4","0.5","","Gschneidner, K.A.jr.; Duwez, P.; Griffin, R.B.","Effect of the sixth period elements on the melting and transformation temperatures of praseodymium","Rare Earths in Modern Science and Technology, (Rare Earth Res. Conf.)","1970","8","","7","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510302","23.414","","4.818","","8.267","","90","","90","","90","","932.589","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr Au Sn","","- Au Sn Sr -","- Au Sn Sr -","- Au12 Sn12 Sr12 -","12","1.5","","Trill, H.; Niepmann, D.; Mosel, B.D.; Kussmann, D.; Poettgen, R.; Hoffmann, R.D.","Transition metal tin ordering in Sr Pt Sn, Sr Au Sn and Ba Au Sn and 119Sn Moessbauer spectroscopy of Ca Pd Sn, Ca Pt Sn and Sr Au Sn","Solid State Sciences","2002","4","","481","487","10.1016/S1293-2558(02)01284-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510321","7.808","","4.57","","9.409","","90","","90","","90","","335.737","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Au Yb2 -","- Au Yb2 -","- Au4 Yb8 -","4","0.5","","Palenzona, A.; Iandelli, A.","The yttrium-gold system","Journal of the Less-Common Metals","1969","18","","221","227","10.1016/0022-5088(69)90160-X","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510334","21.311","","4.481","","7.704","","90","","90","","90","","735.69","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Yb Au Ge","","- Au1.03667 Ge0.963333 Yb -","- Au1.03667 Ge0.963333 Yb -","- Au12.44 Ge11.56 Yb12 -","12","1.5","","Merlo, F.; Canepa, F.; Pani, M.; Fornasini, M.L.","Phases around the 1:1:1 composition in the Yb-Au-Ge and Ca-Au-Ge systems","Journal of Alloys Compd.","1998","264","","82","88","10.1016/S0925-8388(97)00278-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510355","12.595","","9.82","","10.562","","90","","90","","90","","1306.34","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Au0.64 Sn1.36 P14","","- Au0.64 P14 Sn1.36 -","- Au0.644 P14 Sn1.356 -","- Au2.576 P56 Sn5.424 -","4","0.5","","Jeitschko, W.; Eschen, M.; Wallinda, J.","Preparation and crystal structure of Au1-x Sn1+y P14 and other polyphosphides with (Hg Pb P14)-type structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","2764","2771","10.1002/1521-3749(200212)628:12<2764::AID-ZAAC2764>3.0.CO;2-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510482","14.636","","4.4323","","12.723","","90","","90","","90","","825.356","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca2 Au3 In4","","- Au3 Ca2 In4 -","- Au3 Ca2 In4 -","- Au12 Ca8 In16 -","4","0.5","","Hoffmann, R.D.; Poettgen, R.","Sr Pt In, Sr2 Pt3 In4, and Ca2 Au3 In4 - alkaline earth compounds with complex three-dimensional [Pt In], [Pt3 In4], and [Au3 In4] polyanions","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","994","1000","10.1002/(SICI)1521-3749(199906)625:6<994::AID-ZAAC994>3.0.CO;2-W","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510542","7.752","","15.029","","7.88","","90","","90","","90","","918.058","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Au4 Yb5 -","- Au4 Yb5 -","- Au16 Yb20 -","4","0.5","","Palenzona, A.; Iandelli, A.","The yttrium-gold system","Journal of the Less-Common Metals","1969","18","","221","227","10.1016/0022-5088(69)90160-X","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510543","5.006","","4.445","","14.294","","90","","90","","90","","318.065","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Au4 Zr -","- Au4 Zr -","- Au16 Zr4 -","4","0.5","","Schubert, K.; Stolz, E.","Strukturuntersuchungen in einigen T(4)-B(1) homologen und quasihomologen Systemen","Zeitschrift fuer Metallkunde","1962","53","","433","555","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510544","5.006","","4.845","","14.294","","90","","90","","90","","346.688","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Au4 Zr -","- Au4 Zr -","- Au16 Zr4 -","4","0.5","","Schubert, K.; Stolz, E.","Strukturuntersuchungen in einigen zu T4-B1 homologen und quasihomologen Systemen","Zeitschrift fuer Metallkunde","1962","53","","433","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510584","8.331","","4.9309","","6.3928","","90","","90","","90","","262.612","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Ba Au","","- Au Ba -","- Au Ba -","- Au4 Ba4 -","4","0.5","","Saltykov, V.; Nuss, J.; Konuma, M.; Jansen, M.","Investigation of the quasi binary system Ba Au - Ba Pt","Zeitschrift fuer Anorganische und Allgemeine Chemie","2009","635","","70","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510612","6.77","","12.22","","7.38","","90","","90","","90","","610.543","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Au Se Br","","- Au Br Se -","- Au Br Se -","- Au8 Br8 Se8 -","8","1","","Rosenstein, G.; Wunderlich, H.; Mootz, D.; Rabenau, A.","The crystal structure of Au Se Br","Journal of Solid State Chemistry","1973","6","","583","586","10.1016/S0022-4596(73)80019-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510615","7.282","","4.542","","7.733","","90","","90","","90","","255.768","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au Ca Ga -","- Au Ca Ga -","- Au4 Ca4 Ga4 -","4","0.5","","Friedrich, T.; Henseleit, R.; Geibel, C.; Grauel, A.; Schank, C.; Cordier, G.; Tegel, U.","Darstellung und Kristallstrukturen von Ca Au Al, Ca Au Ga, Yb Au Al, Yb Pd Al und Yb Pt Al (im Ti Ni Si-Typ) und Cd Pd Al, einer Variante des Pb F Cl-Typs","Journal of Alloys Compd.","1993","201","","197","201","10.1016/0925-8388(93)90884-P","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510651","7.612","","10.854","","13.503","","90","","90","","90","","1115.63","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sr2 Cu (B O3)2","","- B2 Cu O6 Sr2 -","- B2 Cu O6 Sr2 -","- B16 Cu8 O48 Sr16 -","8","1","","Keszler, D.A.; Smith, R.W.","Syntheses and crystal structures of the alpha- and beta-forms of the orthoborate Sr2 Cu (B O3)2","Journal of Solid State Chemistry","1989","81","","305","313","10.1016/0022-4596(89)90019-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510751","5.809","","5.229","","6.284","","90","","90","","90","","190.878","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lu Ru B2","","- B2 Lu Ru -","- B2 Lu Ru -","- B8 Lu4 Ru4 -","4","0.5","","Ku, H.C.; Shelton, R.N.","Crystal structure of Lu Ru B2","Materials Research Bulletin","1980","15","","1445","1452","10.1016/0025-5408(80)90100-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510771","12.545","","7.441","","8.271","","90","","90","","90","","772.076","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na2 (B2 S5)","","- B2 Na2 S5 -","- B2 Na2 S5 -","- B8 Na8 S20 -","4","0.5","","Krebs, B.; Jansen, C.; Kueper, J.","Na2 B2 S5 and Li2 B2 S5: Two novel perthioborates with planar 1,2,4-trithia-3,5-diborolane rings","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1322","1329","10.1002/zaac.19956210809","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510787","6.041","","3.104","","8.171","","90","","90","","90","","153.217","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ta Ni B2","","- B2 Ni Ta -","- B2 Ni Ta -","- B8 Ni4 Ta4 -","4","0.5","","Steurer, W.; Nowotny, H.; Rogl, P.","Neue Boride mit Nb Co B2 - Typ","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1978","109","","919","924","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510795","6.492","","11.645","","17.904","","90","","90","","90","","1353.53","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pb6 O2 (B O3)2 S O4","","- B2 O12 Pb6 S -","- B2 O12 Pb6 S -","- B8 O48 Pb24 S4 -","4","0.5","","Aurivillius, B.","The crystal structure of a basic lead borate sulfate, Pb6 O2 (B O3)2 S O4","Chemica Scripta","1983","22","","168","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510943","11.954","","2.9815","","6.5684","","90","","90","","90","","234.103","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Ni4 B3","","- B3 Ni4 -","- B3 Ni4 -","- B12 Ni16 -","4","0.5","","Rundqvist, S.; Pramatus, S.","Crystal Structure Refinements of Ni3 B, o-Ni4 B3, and m-Ni4 B3","Acta Chemica Scandinavica (1-27,1973-42,1988)","1967","21","","191","194","10.3891/acta.chem.scand.21-0191","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510948","15.9897","","7.4139","","12.2958","","90","","90","","90","","1457.62","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tb (B O2)3","","- B3 O6 Tb -","- B3 O6 Tb -","- B48 O96 Tb16 -","16","2","","Schleid, T.; Nikelski, T.","Synthese und Kristallstruktur von Terbium(III)-meta-Oxoborat Tb (B O2)3 (= Tb B3 O6)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1017","1022","10.1002/zaac.200200446","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510961","9.246","","3.0993","","9.378","","90","","90","","90","","268.737","","","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","Mg4.64 Fe2.6 Cr0.16 Ti0.6 O4 (B0.99 Si0.01 O3)4","","- B3.96 Cr0.16 Fe2.6 Mg4.64 O16 Si0.04 Ti0.6 -","- B3.96 Cr0.16 Fe2.6 Mg4.64 O16 Si0.04 Ti0.6 -","- B3.96 Cr0.16 Fe2.6 Mg4.64 O16 Si0.04 Ti0.6 -","1","0.125","","Brigatti, M.F.; Capedri, S.; Bigi, S.","Crystal chemistry of Fe- and Cr-rich warwickite","American Mineralogist","1991","76","","1380","1388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510988","6.057","","3.127","","8.215","","90","","90","","90","","155.594","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Nb Co B2","","- B2 Co Nb -","- B2 Co Nb -","- B8 Co4 Nb4 -","4","0.5","","Kuz'ma, Yu.B.","Crystal structure of the compound Nb Co B2","Kristallografiya","1975","20","","1040","1042","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511025","5.8125","","5.07801","","8.1947","","90","","90","","90","","241.874","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ce (B O3)","","- B Ce O3 -","- B Ce O3 -","- B4 Ce4 O12 -","4","0.5","","Jobic, S.; Goubin, F.; Brec, R.; Rocquefelte, X.; Deniard, P.; Montardi, Y.","Optical properties of Ce B O3 and Ce B3 O6 compounds: first- principles calculations and experimental results","Journal of Solid State Chemistry","2004","177","","89","100","10.1016/S0022-4596(03)00322-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511040","12.408","","4.161","","9.17","","90","","90","","90","","473.444","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sr2 (B N2) Cl","","- B Cl N2 Sr2 -","- B Cl N2 Sr2 -","- B4 Cl4 N8 Sr8 -","4","0.5","","Rohrer, F.E.; Nesper, R.","M2 B N2 X (M = Ca, Sr; X = F, Cl): New halogenide compounds with isolated BN2(3-) units","Journal of Solid State Chemistry","1998","135","","194","200","10.1006/jssc.1997.7624","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511054","5.767","","3.251","","6.649","","90","","90","","90","","124.659","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mo Co B","","- B Co Mo -","- B Co Mo -","- B4 Co4 Mo4 -","4","0.5","","Kripyakevich, P.I.; Chepiga, M.V.; Kuz'ma, Yu.B.","Crystal structures of the compounds Mo Co B, W Co B and W Fe B","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1968","9","","327","329","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511055","5.648","","3.221","","6.554","","90","","90","","90","","119.232","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Re Co B","","- B Co Re -","- B Co Re -","- B4 Co4 Re4 -","4","0.5","","Kuz'ma, Yu.B.; Chepiga, M.V.","The system rhenium - cobalt - boron","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1973","9","","1688","1696","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511056","5.745","","3.203","","6.652","","90","","90","","90","","122.405","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Co W B","","- B Co W -","- B Co W -","- B4 Co4 W4 -","4","0.5","","Kuz'ma, Yu.B.; Chepiga, M.V.","X-ray investigation of the tungsten-iron-boron and tungsten-cobalt-boron systems","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1969","5","","40","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511075","5.749","","2.973","","4.197","","90","","90","","90","","71.734","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Cr0.6 Re0.4) B","","- B Cr0.6 Re0.4 -","- B Cr0.6 Re0.4 -","- B4 Cr2.4 Re1.6 -","4","0.5","","Kuz'ma, Yu.B.; Stefanishina, C.K.; Telegus, V.S.","The ternary chromium-rhenium-boron system","Poroshkovaya Metallurgiya","1969","8","","133","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511119","9.891","","3.904","","10.193","","90","","90","","90","","393.597","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sr2 (B N2) F","","- B F N2 Sr2 -","- B F N2 Sr2 -","- B4 F4 N8 Sr8 -","4","0.5","","Nesper, R.; Rohrer, F.E.","M2 B N2 X (M = Ca, Sr; X = F, Cl): New halogenide compounds with isolated BN2(3-) units","Journal of Solid State Chemistry","1998","135","","194","200","10.1006/jssc.1997.7624","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511123","9.173","","5.727","","7.349","","90","","90","","90","","386.071","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","In (B F4)","","- B F4 In -","- B F4 In -","- B4 F16 In4 -","4","0.5","","Mueller, B.G.; Fitz, H.","In B F4, das erste komplexe Fluorid mit Indium(I)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","579","582","10.1002/zaac.19976230190","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511124","8.1","","5.18","","6.64","","90","","90","","90","","278.601","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K (B F4)","","- B F4 K -","- B F4 K -","- B4 F16 K4 -","4","0.5","","Bellanca, A.; Sgarlata, F.","La struttura delli Avogadrite","Ricerca Scientifica","1950","20","","1648","1651","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511196","7.971","","6.432","","6.457","","90","","90","","90","","331.047","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K Li2 (B O3)","","- B K Li2 O3 -","- B K Li2 O3 -","- B4 K4 Li8 O12 -","4","0.5","","Miessen, M.; Hoppe, R.","Neue Borate der Alkalimetalle K Li2 (B O3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1985","521","","7","14","10.1002/zaac.19855210202","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511221","7.557","","9.083","","7.049","","90","","90","","90","","483.845","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li Sr (B S3)","","- B Li S3 Sr -","- B Li S3 Sr -","- B4 Li4 S12 Sr4 -","4","0.5","","Hiltmann, F.; Jansen, C.; Krebs, B.","Li3BS3 und LiSRBS3: Neue Orthothioborate mit trigonal-planar koordiniertem Bor","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1508","1514","10.1002/zaac.19966220912","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511236","5.56","","2.977","","4.145","","90","","90","","90","","68.609","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Mn B","","- B Mn -","- B Mn -","- B4 Mn4 -","4","0.5","","Kiessling, R.","The borides of manganese","Acta Chemica Scandinavica (1-27,1973-42,1988)","1950","4","","146","159","10.3891/acta.chem.scand.04-0146","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511295","5.4602","","7.5596","","4.8417","","90","","90","","90","","199.851","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Pd3 B","","- B Pd3 -","- B Pd3 -","- B4 Pd12 -","4","0.5","","Ellner, M.; Mittemeijer, E.J.; Beck, M.","Powder diffraction data for borides Pd3 B and Pd5 B2 and the formation of an amorphous boride Pd2 B","Powder Diffraction","2001","16","","98","101","10.1154/1.1351156","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511389","10.9797","","6.1098","","8.3646","","90","","90","","90","","561.129","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mg B12 Si2","","- B12 Mg Si2 -","- B12 Mg Si2 -","- B48 Mg4 Si8 -","4","0.5","","Hillebrecht, H.; Ludwig, T.","Synthesis and crystal structure of Mg B12 Si2 - The first ternary compound in the system B/Mg/Si","Journal of Solid State Chemistry","2006","179","","1623","1629","10.1016/j.jssc.2006.02.013","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511463","12.7613","","11.4271","","7.3728","","90","","90","","90","","1075.14","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(P I3) (B Br3)","","- B Br3 I3 P -","- B Br3 I3 P -","- B4 Br12 I12 P4 -","4","0.5","","Schulz, A.; Mayer, P.; Piotrowski, H.; Klapoetke, T.M.; Davidge, K.; Aubauer, C.","Crystal structures of the phosphorus-boron adducts n-Pr3 P . B Br3 and I3 P . B Br3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","2373","2378","10.1002/1521-3749(200011)626:11<2373::AID-ZAAC2373>3.0.CO;2-D","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511467","11.6576","","3.891","","8.965","","90","","90","","90","","406.65","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ca2 (B N2) Cl","","- B Ca2 Cl N2 -","- B Ca2 Cl N2 -","- B4 Ca8 Cl4 N8 -","4","0.5","","Rohrer, F.E.; Nesper, R.","M2 B N2 X (M= Ca, Sr; X= F, Cl): New halogenide compounds with isolated (B N2)3- units","Journal of Solid State Chemistry","1998","135","","194","200","10.1006/jssc.1997.7624","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511468","9.182","","3.649","","9.966","","90","","90","","90","","333.912","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ca2 (B N2) F","","- B Ca2 F N2 -","- B Ca2 F N2 -","- B4 Ca8 F4 N8 -","4","0.5","","Rohrer, F.E.; Nesper, R.","M2 B N2 X (M= Ca, Sr; X= F, Cl): New halogenide compounds with isolated (B N2)3- units","Journal of Solid State Chemistry","1998","135","","194","200","10.1006/jssc.1997.7624","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511470","7.733","","16.843","","9.009","","90","","90","","90","","1173.39","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba3 Pr2 (B O3)4","","- B4 Ba3 O12 Pr2 -","- B4 Ba3.01 O12 Pr1.99 -","- B16 Ba12.04 O48 Pr7.96 -","4","0.5","","Khamaganova, T.N.; Trunov, V.K.; Dzhurinskii, B.F.; Efremov, V.A.","Crystal structures Ba3 TR2 (B O3)4 (TR= La, Pr)","Kristallografiya","1990","35","","856","860","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511477","5.464","","4.428","","7.472","","90","","90","","90","","180.782","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Mg B4","","- B4 Mg -","- B4 Mg -","- B16 Mg4 -","4","0.5","","Galy, J.; Guette, A.; Naslain, R.","Structure cristalline de tetraborure de magnesium","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1972","275","","41","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511528","6.532","","7.733","","18.566","","90","","90","","90","","937.805","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Bi3 O (B5 O11)","","- B5 Bi3 O12 -","- B5 Bi3 O12 -","- B20 Bi12 O48 -","4","0.5","","Cano, F.H.; Garcia-Blanco, S.; Vegas, A.","Crystal structure of (Bi2 O3)3 (B2 O3)5. A new type of polyborate-anion (B5 O11)(-","Journal of Solid State Chemistry","1976","17","","151","155","10.1016/0022-4596(76)90215-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511624","12.589","","10.015","","7.679","","90","","90","","90","","968.159","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na3 (N O3) (B6 O10)","","- B6 N Na3 O13 -","- B6 N Na3 O13 -","- B24 N4 Na12 O52 -","4","0.5","","Urusov, V.S.; Dimitrova, O.V.; Yakubovich, O.V.; Perevoznikova, I.V.","A new type of boron - oxygen framework in the Na3 (N O3) (B6 O10) crystal structure","Doklady Akad. Nauk","2002","387","","54","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511625","9.3727","","16.2307","","6.7232","","90","","90","","90","","1022.77","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na3 B6 P O13","","- B6 Na3 O13 P -","- B6 Na3 O13 P -","- B24 Na12 O52 P4 -","4","0.5","","Zhao Jingthai; Chen Haohong; Xiong Dingbang; Yang Xinxin","Low-temperature flux syntheses and characterizations of two 1-D anhydrous borophosphates: Na3 B6 P O13 and Na3 B P2 O8","Journal of Solid State Chemistry","2007","180","","233","239","10.1016/j.jssc.2006.09.034","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511675","11.014","","3.1","","12.84","","90","","90","","90","","438.401","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ho Mo3 B7","","- B7 Ho Mo3 -","- B7 Ho Mo3 -","- B28 Ho4 Mo12 -","4","0.5","","Kuz'ma, Yu.B.; Chaban, N.F.; Mikhalenko, S.I.","New borides Ln Mo3 B7 (Ln-Tb, Dy, Ho, Er, Tm) with the Y Mo3 B7 structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1995","31","","1414","1417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511683","11.012","","3.1013","","12.864","","90","","90","","90","","439.325","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Y Mo3 B7","","- B7 Mo3 Y -","- B7 Mo3 Y -","- B28 Mo12 Y4 -","4","0.5","","Hartl, G.; Mikhalenko, S.I.; Babizhet'sky, V.S.; Kuz'ma, Yu.B.","New boride Y Mo3 B7 and its structure","Kristallografiya","1995","40","","465","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511738","7.731","","17.043","","9.019","","90","","90","","90","","1188.34","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba3 La2 (B O3)4","","- B4 Ba3 La2 O12 -","- B4 Ba3 La2 O12 -","- B16 Ba12 La8 O48 -","4","0.5","","Wang, G.-F.; Pan, S.-K.; Huang, Z.-X.","Synthesis and structure of Ba3 La2 (B O3)4 crystal","Jiegon Huaxue","2002","21","","382","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511745","7.734","","17.043","","9.056","","90","","90","","90","","1193.68","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba3 La2 (B O3)4","","- B4 Ba3 La2 O12 -","- B4 Ba3.01 La1.99 O12 -","- B16 Ba12.04 La7.96 O48 -","4","0.5","","Khamaganova, T.N.; Trunov, V.K.; Efremov, V.A.; Dzhurinskii, B.F.","Crystal structures Ba3 TR2 (B O3)4 (TR= La, Pr)","Kristallografiya","1990","35","","856","860","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511753","7.7143","","16.779","","8.9478","","90","","90","","90","","1158.19","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Nd2 Ba3 (B O3)4","","- B4 Ba3 Nd2 O12 -","- B4 Ba3 Nd2 O12 -","- B16 Ba12 Nd8 O48 -","4","0.5","","Yan, J.F.; Hong, H.Y.-P.","Crystal structure of a new mini-laser material, Nd2 Ba3 (B O3)4","Materials Research Bulletin","1987","22","","1347","1353","10.1016/0025-5408(87)90299-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511785","8.0325","0.0002","6.1722","0.0002","14.8786","0.0004","90","","90","","90","","737.65","0.04","110","","110","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C4 H3 B F2 Li N O4 -","- C4 H3 B F2 Li N O4 -","- C16 H12 B4 F8 Li4 N4 O16 -","4","0.5","","Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes","The Journal of Physical Chemistry C","2013","117","11","5521","","10.1021/jp309102c","","","0.71073","MoKα","","0.0401","0.0303","","","0.0796","0.0845","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511786","8.0286","0.0003","6.3995","0.0002","24.6301","0.0008","90","","90","","90","","1265.47","0.07","110","","110","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H9 B F2 Li N3 O4 -","- C8 H9 B F2 Li N3 O4 -","- C32 H36 B4 F8 Li4 N12 O16 -","4","0.5","","Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes","The Journal of Physical Chemistry C","2013","117","11","5521","","10.1021/jp309102c","","","0.71073","MoKα","","0.0634","0.0406","","","0.1044","0.114","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511793","8.58","0.003","7.781","0.002","13.926","0.005","90","","90","","90","","929.7","0.5","110","","110","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H4 B F2 Li N2 O4 -","- C6 H4 B F2 Li N2 O4 -","- C24 H16 B4 F8 Li4 N8 O16 -","4","0.5","","Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes","The Journal of Physical Chemistry C","2013","117","11","5521","","10.1021/jp309102c","","","0.71073","MoKα","","0.0455","0.0351","","","0.0945","0.1002","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512559","13.053","0.003","9.571","0.002","6.0856","0.0015","90","","90","","90","","760.3","0.3","110","2","110","2","","","","","","","","3","P n m a","-P 2ac 2n","62","cyclopentene trithiocarbonate","","","- C6 H8 S3 -","- C6 H8 S3 -","- C24 H32 S12 -","4","0.5","","Darensbourg, Donald J.; Wilson, Stephanie J.; Yeung, Andrew D.","Oxygen/Sulfur Scrambling During the Copolymerization of Cyclopentene Oxide and Carbon Disulfide: Selectivity for Copolymer vs Cyclic [Thio]carbonates","Macromolecules","2013","46","20","8102","","10.1021/ma4015438","","","0.71073","MoKα","","0.0275","0.0249","","","0.0718","0.0727","","","","","","1.123","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513003","14.568","0.006","21.181","0.008","16.619","0.006","90","","90","","90","","5128","3","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","copper imidazole based phoshomolybdate","","","- C27 H37 Cu2 Mo5 N18 O26 P2 -","- C27 H37 Cu2 Mo5 N18 O26 P2 -","- C108 H148 Cu8 Mo20 N72 O104 P8 -","4","0.5","","Jency Thomas; Dinesh Kumar; Arunachalam Ramanan","Crystallization of phosphomolybdate clusters mediated by copper azole complexes: Influence of pH and temperature","Inorganica Chimica Acta","2013","396","","126","135","10.1016/j.ica.2012.10.034","","","0.71073","MoKα","","0.0682","0.0576","","","0.108","0.1121","","","","","","1.342","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513034","5.8478","0.0016","19.156","0.006","12.328","0.004","90","","90","","90","","1381","0.7","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Zn(II)-complex of 3-pyridin aldehyde","","","- C12 H10 Cl2 N2 O2 Zn -","- C12 H10 Cl2 N2 O2 Zn -","- C48 H40 Cl8 N8 O8 Zn4 -","4","0.5","","Ivanova, Bojidarka; Spiteller, Michael","Ag^I^ and Zn^II^ complexes with possible application as NLO materials ‒ Crystal structures and properties","Polyhedron","2011","30","2","241","245","10.1016/j.poly.2010.10.008","","","0.71073","MoKα","","0.0402","0.0301","","","0.0668","0.07","","","","","","1.129","","","","has coordinates","218750","2020-10-21","18:00:00",""
"1513055","7.078","0.002","8.035","0.002","17.775","0.006","90","","90","","90","","1010.9","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","1-(2-chloroethyl)piperidinium chloride","","","- C7 H15 Cl2 N -","- C7 H16 Cl2 N -","- C28 H64 Cl8 N4 -","4","0.5","","Ivanova, Bojidarka; Spiteller, Michael","Factors stabilizing the gas-phase ionic species of crystals of organic salts – Experimental and theoretical study","Journal of Molecular Structure","2013","1036","","226","","10.1016/j.molstruc.2012.11.018","","","0.71073","MoKα","","0.0771","0.0574","","","0.1671","0.1753","","","","","","1.791","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513056","7.1481","0.0016","8.076","0.002","18.627","0.005","90","","90","","90","","1075.3","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","1-(3-chlorpropyl)piperidinium chloride","","","- C7 H3 Cl2 N -","- C7 H3 Cl2 N -","- C28 H12 Cl8 N4 -","4","0.5","","Ivanova, Bojidarka; Spiteller, Michael","Factors stabilizing the gas-phase ionic species of crystals of organic salts – Experimental and theoretical study","Journal of Molecular Structure","2013","1036","","226","","10.1016/j.molstruc.2012.11.018","","","0.71073","MoKα","","0.1004","0.0936","","","0.3033","0.3182","","","","","","1.481","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513213","9.3497","0.0003","3.6631","0.0001","9.8901","0.0003","90","","90","","90","","338.725","0.018","","","298","","","","101.325","","","","","4","P n m a","-P 2ac 2n","62","Potassium Magnesium imide-amide","Potassium Magnesium imide-amide","","- D3 K Mg N2 -","- D3 K Mg N2 -","- D12 K4 Mg4 N8 -","4","0.5","","Napolitano, Emilio; Dolci, Francesco; Campesi, Renato; Pistidda, Claudio; Hoelzel, Markus; Moretto, Pietro; Enzo, Stefano","Corrigendum to Crystal structure solution of KMg(ND)(ND2): An ordered mixed amide/imide compound.","Int.J.Hydro.Eneg","2014","39","","8181","8183","10.1016/j.ijhydene.2014.03.073 http://dx.doi.org/10.1016/j.ijhydene.2013.10.131","powder diffraction","neutron","1.5482","","","0.0271449","","","0.0355103","","","","","0.0111398","","","","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1513629","31.0498","0.0007","11.5475","0.0002","10.1812","0.0002","90","","90","","90","","3650.44","0.13","170","2","170","2","","","","","","","","5","P n m a","-P 2ac 2n","62","U2I4L","","","- C32 H36 I4 N2 U2 -","- C32 H36 I4 N2 U2 -","- C128 H144 I16 N8 U8 -","4","0.5","","Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B.","Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes","Chemical Science","2014","5","2","756","","10.1039/c3sc52072b","","","0.71073","MoKα","","0.0444","0.0374","","","0.0721","0.0746","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513645","11.3274","0.0011","7.1032","0.0006","16.0113","0.0015","90","","90","","90","","1288.3","0.2","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H17 B F2 N2 -","- C14 H17 B F2 N2 -","- C56 H68 B4 F8 N8 -","4","0.5","","Choi, Sohee; Bouffard, Jean; Kim, Youngmi","Aggregation-induced emission enhancement of a meso-trifluoromethyl BODIPY via J-aggregation","Chemical Science","2014","5","2","751","","10.1039/c3sc52495g","","","0.71073","MoKα","","0.0869","0.0526","","","0.1253","0.1736","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513708","24.2856","0.0005","12.7122","0.0003","9.1833","0.0002","90","","90","","90","","2835.1","0.11","170","2","170","2","","","","","","","","6","P n m a","-P 2ac 2n","62","iron(II) TMC thiocyanate triflate","","","- C19 F3 Fe N7 O3 S2 -","- C19 F3 Fe N7 O3 S2 -","- C76 F12 Fe4 N28 O12 S8 -","4","0.5","","Hong, Seungwoo; Lee, Yong-Min; Cho, Kyung-Bin; Seo, Mi Sook; Song, Dayoung; Yoon, Jihae; Garcia-Serres, Ricardo; Clémancey, Martin; Ogura, Takashi; Shin, Woonsup; Latour, Jean-Marc; Nam, Wonwoo","Conversion of high-spin iron(iii)‒alkylperoxo to iron(iv)‒oxo species via O‒O bond homolysis in nonheme iron models","Chemical Science","2014","5","1","156","","10.1039/c3sc52236a","","","0.71073","MoKα","","0.0769","0.068","","","0.2209","0.2413","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513881","7.3964","0.0002","5.6779","0.0001","11.5445","0.0003","90","","90","","90","","484.82","0.02","296","","296","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F5 Fe K2 -","- F5 Fe K2 -","- F20 Fe4 K8 -","4","0.5","","Le Bail, Armel","On two new K~2~FeF~5~ forms","Powder Diffraction","2014","29","1","33","41","10.1017/S0885715613001334","powder diffraction","","1.5418","CuKα","","","","","","","","","4.6781","1.755","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514227","9.27","0.01","2.866","0.005","4.533","0.005","90","","90","","90","","120.4","0.3","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Manganese(IV) Oxide","Ramsdellite","- Mn O2 -","- Mn O2 -","- Mn4 O8 -","4","0.5","","Bystroem, A. M.","The crystal structure of ramsdellite, an orthorhombic modification of Mn O2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1949","3","","163","173","10.3891/acta.chem.scand.03-0163","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514319","29.9821","0.0016","15.8708","0.0009","11.837","0.0006","90","","90","","90","","5632.5","0.5","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C49 H80 K2 N2 O16 W -","- C49 H80 K2 N2 O16 W0.9882 -","- C196 H320 K8 N8 O64 W3.9528 -","4","0.5","","Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts","Chemical Science","2014","5","5","1894","","10.1039/c3sc53470g","","","1.54178","CuKα","","0.0968","0.077","","","0.1851","0.198","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514323","14.356","0.004","6.3845","0.0019","7.889","0.002","90","","90","","90","","723.1","0.3","100","0.1","100","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C5 H9 N5 -","- C5 H9 N5 -","- C20 H36 N20 -","4","0.5","","McCrary, Parker D.; Chatel, Gregory; Alaniz, Spencer A.; Cojocaru, O. Andreea; Beasley, Preston A.; Flores, Luis A.; Kelley, Steven P.; Barber, Patrick S.; Rogers, Robin D.","Evaluating Ionic Liquids as Hypergolic Fuels: Exploring Reactivity from Molecular Structure","Energy & Fuels","2014","28","5","3460","","10.1021/ef500264z","","","0.71073","MoKα","","0.0644","0.0584","","","0.1629","0.1707","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514522","28.257","0.002","21.8128","0.0016","16.5796","0.0014","90","","90","","90","","10219.1","1.4","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C80 H155 Mn Mo6 N8 O29 -","- C58 H61.6 Mn Mo6 N5.9 O25.6 -","- C232 H246.4 Mn4 Mo24 N23.6 O102.4 -","4","0.5","","Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy","A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials","Chemical Science","2013","4","10","3810","","10.1039/c3sc51618k","","","0.71073","MoKα","","0.1193","0.0823","","","0.2554","0.2777","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514754","17.564","0.004","25.629","0.005","20.8","0.004","90","","90","","90","","9363","3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C79.5 H115.5 Co3 N8.5 O34.5 -","- C57 H31 Co3 N O15 -","- C228 H124 Co12 N4 O60 -","4","0.5","","Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters","Chemical Science","2013","4","8","3232","","10.1039/c3sc51379c","","","0.71073","MoKα","","0.2561","0.1113","","","0.2894","0.3548","","","","","","0.982","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514755","17.5608","0.001","25.3474","0.0017","20.8804","0.0019","90","","90","","90","","9294.3","1.2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C79.5 H109.5 Co3 N8.5 O31.5 -","- C54 H30 Co3 O15 -","- C216 H120 Co12 O60 -","4","0.5","","Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters","Chemical Science","2013","4","8","3232","","10.1039/c3sc51379c","","","0.71073","MoKα","","0.1882","0.1157","","","0.2997","0.3412","","","","","","0.922","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514756","17.446","0.004","27.758","0.006","18.762","0.004","90","","90","","90","","9086","3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C78 H106 Co3 N8 O31 -","- C57 H31 Co3 N O16 -","- C228 H124 Co12 N4 O64 -","4","0.5","","Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters","Chemical Science","2013","4","8","3232","","10.1039/c3sc51379c","","","0.71073","MoKα","","0.1485","0.0917","","","0.2542","0.2809","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514908","9.5591","0.001","21.864","0.002","8.5122","0.0008","90","","90","","90","","1779.1","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H18 Cd N6 O8 S -","- C12 H18 Cd N6 O8 S -","- C48 H72 Cd4 N24 O32 S4 -","4","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Fonari, Marina S.","Mechanism of Nonlinear Optical Enhancement and Supramolecular Isomerism in 1D Polymeric Zn(II) and Cd(II) Sulfates with Pyridine-4-aldoxime Ligands","The Journal of Physical Chemistry C","2014","118","17","9217","","10.1021/jp5007395","","","0.71073","MoKα","","0.0876","0.0578","","","0.1158","0.1293","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515009","23.2374","0.0005","30.6555","0.0006","14.1318","0.0004","90","","90","","90","","10066.8","0.4","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C75.5 H123 Cl20 Co4 K N8 O4 -","- C75.5 H123 Cl20 Co4 K N8 O4 -","- C302 H492 Cl80 Co16 K4 N32 O16 -","4","0.5","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0757","0.0572","","","0.1392","0.1437","","","","","","1.151","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515134","7.0177","0.0006","7.4499","0.0006","10.1765","0.0008","90","","90","","90","","532.04","0.08","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F6 Fe2 Rb -","- F6 Fe2 Rb -","- F24 Fe8 Rb4 -","4","0.5","","Kim, Sun Woo; Kim, Sang-Hwan; Halasyamani, P. Shiv; Green, Mark A.; Bhatti, Kanwal Preet; Leighton, C.; Das, Hena; Fennie, Craig J.","RbFe2+Fe3+F6: Synthesis, structure, and characterization of a new charge-ordered magnetically frustrated pyrochlore-related mixed-metal fluoride","Chemical Science","2012","3","3","741","","10.1039/c2sc00765g","","","0.71073","MoKα","","0.0246","0.0214","","","0.0485","0.0497","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515225","9.9798","0.0005","16.4442","0.001","24.1424","0.0014","90","","90","","90","","3962","0.4","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C134 Cl6 D2 F28 -","- C145.7 Cl5 F28 -","- C291.4 Cl10 F56 -","2","0.25","","Kuvychko, Igor V.; Whitaker, James B.; Larson, Bryon W.; Folsom, Travis C.; Shustova, Natalia B.; Avdoshenko, Stanislav M.; Chen, Yu-Sheng; Wen, Hui; Wang, Xue-Bin; Dunsch, Lothar; Popov, Alexey A.; Boltalina, Olga V.; Strauss, Steven H.","Substituent effects in a series of 1,7-C60(RF)2 compounds (RF = CF3, C2F5, n-C3F7, i-C3F7, n-C4F9, s-C4F9, n-C8F17): electron affinities, reduction potentials and E(LUMO) values are not always correlated","Chemical Science","2012","3","5","1399","","10.1039/c2sc01133f","","","0.41328","synchrotron","","0.1168","0.0895","","","0.2562","0.2951","","","","","","1.009","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515264","28.3045","0.0009","24.6469","0.0008","17.5652","0.0006","90","","90","","90","","12253.8","0.7","93","2","93","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C110 H127 Cl3 N6 S20 -","- C109 H132 Cl N6 S20 -","- C436 H528 Cl4 N24 S80 -","4","0.5","","Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L.","Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6)","Chemical Science","2012","3","9","2685","","10.1039/c2sc20636f","","","1.5418","CuKα","","0.152","0.0874","","","0.2161","0.2662","","","","","","1.651","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515352","7.436","0.0005","27.0637","0.0018","10.927","0.0008","90","","90","","90","","2199","0.3","220","2","220","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C27 H24 O6 -","- C27 H24 O6 -","- C108 H96 O24 -","4","0.5","","Weissflog, Wolfgang; Baumeister, Ute; Tamba, Maria-Gabriela; Pelzl, Gerhard; Kresse, Horst; Friedemann, Rudolf; Hempel, Günther; Kurz, Ricardo; Roos, Matthias; Merzweiler, Kurt; Jákli, Antal; Zhang, Cuiyu; Diorio, Nicholas; Stannarius, Ralf; Eremin, Alexey; Kornek, Ulrike","Unexpected liquid crystalline behaviour of three-ring bent-core mesogens: bis(4-subst.-phenyl) 2-methyl-iso-phthalates","Soft Matter","2012","8","9","2671","","10.1039/c2sm07064b","","","0.71073","MoKα","","0.063","0.0394","","","0.09","0.0988","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515491","14.215","0.0004","9.7664","0.0003","16.4588","0.0005","90","","90","","90","","2284.96","0.12","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C15 H35 Cl2 Cr N4 O10 -","- C15 H35 Cl2 Cr N4 O10 -","- C60 H140 Cl8 Cr4 N16 O40 -","4","0.5","","Cho, Jaeheung; Woo, Jaeyoung; Eun Han, Jung; Kubo, Minoru; Ogura, Takashi; Nam, Wonwoo","Chromium(v)-oxo and chromium(iii)-superoxo complexes bearing a macrocyclic TMC ligand in hydrogen atom abstraction reactions","Chemical Science","2011","2","10","2057","","10.1039/c1sc00386k","","","0.71073","MoKα","","0.0531","0.0486","","","0.2021","0.2095","","","","","","1.164","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515520","8.0144","0.0005","20.9765","0.0011","12.7099","0.0007","90","","90","","90","","2136.7","0.2","296","2","296","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","syn-5,5'-(1,2-ethenediylidene)bis-5H-dibenzo[a,d]cycloheptene","","- C32 H20 -","- C32 H20 -","- C128 H80 -","4","0.5","","Xia, Hai; Liu, Danqing; Song, Kesheng; Miao, Qian","Vapochromic and semiconducting solids of a bifunctional hydrocarbon","Chemical Science","2011","2","12","2402","","10.1039/c1sc00494h","","","0.71073","MoKα","","0.0684","0.0485","","","0.1277","0.1474","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515792","19.959","0.005","19.89","0.005","13.407","0.003","90","","90","","90","","5322","2","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H22.32 F2 N2 O97 Si48 -","- C10 H22.32 F2 N2 O97 Si48 -","- C20 H44.64 F4 N4 O194 Si96 -","2","0.25","","Wheatley, Paul S.; Allan, Phoebe K.; Teat, Simon J.; Ashbrook, Sharon E.; Morris, Russell E.","Task specific ionic liquids for the ionothermal synthesis of siliceous zeolites","Chemical Science","2010","1","4","483","","10.1039/c0sc00178c","","","0.7749","synchrotron","","0.1416","0.0735","","","0.1857","0.2133","","","","","","0.958","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515820","15.6513","0.0002","11.7371","0.0003","24.53","0.0005","90","","90","","90","","4506.18","0.16","123","0.1","123","0.1","","","","","","","see text","7","P n m a","-P 2ac 2n","62","","","","- C11 H17 As5 Cl2 Cu2 Fe I2 -","- C11 H17 As5 Cl2 Cu2 Fe I2 -","- C88 H136 As40 Cl16 Cu16 Fe8 I16 -","8","1","","Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred","The potential of a cyclo-As5 ligand complex in coordination chemistry","Chemical Science","2010","1","3","337","","10.1039/c0sc00254b","","x-ray","1.54184","CuKα","","0.0464","0.0322","","","0.0741","0.0799","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515888","14.4512","0.0007","9.4625","0.0006","11.7824","0.0007","90","","90","","90","","1611.18","0.16","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H32 B2 N4 Ni -","- C10 H32 B2 N4 Ni -","- C40 H128 B8 N16 Ni4 -","4","0.5","","Churchard, Andrew James; Cyranski, Michał Ksawery; Dobrzycki, Łukasz; Budzianowski, Armand; Grochala, Wojciech","Nickel macrocycles with complex hydrides—new avenues for hydrogen storage research","Energy & Environmental Science","2010","3","12","1973","","10.1039/c0ee00051e","","","0.71073","MoKα","","0.0943","0.0363","","","0.0873","0.0951","","","","","","0.818","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516475","12.865","0.005","16.159","0.006","11.71","0.004","90","","90","","90","","2434.3","1.6","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H17.5 N0.5 O0.5 Sc0.5 Si -","- C10 H21 N0.5 O0.5 Sc0.5 Si -","- C80 H168 N4 O4 Sc4 Si8 -","8","1","","Liu, Siqian; Du, Gaixia; He, Jianyun; Long, Yingyun; Zhang, Shaowen; Li, Xiaofang","Cationic Tropidinyl Scandium Catalyst: A Perfectly Acceptable Substitute for Cationic Half-Sandwich Scandium Catalysts incis-1,4-Polymerization of Isoprene and Copolymerization with Norbornene","Macromolecules","2014","47","11","3567","","10.1021/ma500740m","","","0.71073","MoKα","","0.0939","0.0811","","","0.1739","0.1809","","","","","","1.24","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516561","13.024","0.008","9.225","0.004","19.975","0.009","90","","90","","90","","2400","2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H32 B Mn N2 O3 -","- C26 H32 B Mn N2 O3 -","- C104 H128 B4 Mn4 N8 O12 -","4","0.5","","Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine","Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions","Chemical Science","2014","5","6","2271","","10.1039/c4sc00183d","","","0.71073","MoKα","","0.0507","0.0444","","","0.1116","0.1156","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516667","11.7723","0.0015","11.5071","0.0015","6.1089","0.0008","90","","90","","90","","827.54","0.19","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","4b","bromo(pentacarbonyl)manganese(I)","","- C5 Br Mn O5 -","- C5 Br Mn O5 -","- C20 Br4 Mn4 O20 -","4","0.5","","Hernández, José G.; Butler, Ian S.; Friščić, Tomislav","Multi-step and multi-component organometallic synthesis in one pot using orthogonal mechanochemical reactions","Chemical Science","2014","5","9","3576","","10.1039/C4SC01252F","","","0.71073","MoKα","","0.0339","0.0278","","","0.0749","0.0776","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516892","23.33","0.005","21.46","0.004","10.71","0.002","90","","90","","90","","5362.1","1.8","173","2","173","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","11","11","","- C53 H86 O3 Si4 U2 -","- C53 H86 O3 Si4 U2 -","- C212 H344 O12 Si16 U8 -","4","0.5","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0789","0.0524","","","0.1214","0.1336","","","","","","1.066","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516974","24.8949","0.0005","42.564","0.003","32.7857","0.0006","90","","90","","90","","34741","3","95","2","95","2","","","","","","","","5","P n m a","-P 2ac 2n","62","UMCM-12","","","- C98 H68 N2 O26 Zn8 -","- C98 H68 N2 O26 Zn8 -","- C392 H272 N8 O104 Zn32 -","4","0.5","","Dutta, Ananya; Wong-Foy, Antek G.; Matzger, Adam J.","Coordination copolymerization of three carboxylate linkers into a pillared layer framework","Chemical Science","2014","5","10","3729","","10.1039/C3SC53549E","","","1.54178","CuKα","","0.0966","0.0651","","","0.1473","0.1525","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517173","11.826","0.0008","18.0027","0.0012","9.6374","0.0006","90","","90","","90","","2051.8","0.2","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C13 H18 Cl3 Fe Ga N2 O3 -","- C13 H18 Cl3 Fe Ga N2 O3 -","- C52 H72 Cl12 Fe4 Ga4 N8 O12 -","4","0.5","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0285","0.0204","","","0.0437","0.0473","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517626","21.7786","0.0018","6.9551","0.0006","14.5185","0.0013","90","","90","","90","","2199.2","0.3","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C17 H15 Au Cl3 Cu N5 O4 -","- C17 H11 Au Cl3 Cu N5 O4 -","- C68 H44 Au4 Cl12 Cu4 N20 O16 -","4","0.5","","Jeffrey S. Ovens; Kimberley N. Truong; Daniel B. Leznoff","Targeting [AuCl2(CN)2]- units as halophilic building blocks in coordination polymers","Inorganica Chimica Acta","2013","403","","127","135","","","","0.71073","MoKα","","0.0639","0.034","","0.0805","0.0385","0.0385","","","","","","1.1889","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517735","11.255","0.001","5.315","0.001","6.657","0.001","90","","90","","90","","398.22","0.1","","","598.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Oxoniobium Phosphate(V)","","- Nb O5 P -","- Nb O5 P -","- Nb4 O20 P4 -","4","0.5","","Amos, T.G.; Sleight, A.W.","Negative thermal expansion in orthorhombic Nb O P O4","Journal of Solid State Chemistry","2001","160","","230","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517736","11.253","0.001","5.316","0.001","6.661","0.001","90","","90","","90","","398.47","0.1","","","673.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Oxoniobium Phosphate(V)","","- Nb O5 P -","- Nb O5 P -","- Nb4 O20 P4 -","4","0.5","","Amos, T.G.; Sleight, A.W.","Negative thermal expansion in orthorhombic Nb O P O4","Journal of Solid State Chemistry","2001","160","","230","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517769","14.094","0.001","21.8826","0.0016","12.0521","0.0009","90","","90","","90","","3717","0.5","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H13 N3 Nd O8 -","- C18 H11 N3 Nd O8 -","- C144 H88 N24 Nd8 O64 -","8","1","","Long-fei Yuan; Jun Li; Rui-ping Liu; Bin Liu; Hui Guo; Feng-xing Zhang","A novel 2D sandwich layered neodymium coordination polymer based on 2,2'-bipyridyl-4,4'-dicarboxylate ligand","Inorganica Chimica Acta","2013","404","","197","200","","","","0.71073","MoKα","","0.0501","0.0476","","","0.1374","0.1392","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517836","13.6041","0.0004","7.8847","0.0002","6.4707","0.0002","90","","90","","90","","694.07","0.03","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Br4 Li2 Zn -","- Br4 Li2 Zn -","- Br16 Li8 Zn4 -","4","0.5","","Pfitzner, A.; Cockcroft, J. K.; Solinas, I.; Litz, H. D.","Neue halogenozinkate(II) M[I]2ZnX4 (M[I] = Li, Na; X = Cl, ,Br) mit olivinstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","993","998","","powder diffraction","","1.594","neutron","","","","","","","","","9.07","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517837","12.776","0.0003","7.4176","0.0002","6.111","0.0001","90","","90","","90","","579.12","0.02","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cl4 Li2 Zn -","- Cl4 Li2 Zn -","- Cl16 Li8 Zn4 -","4","0.5","","Pfitzner, A.; Cockcroft, J. K.; Solinas, I.; Litz, H. D.","Neue halogenozinkate(II) M[I]2ZnX4 (M[I] = Li, Na; X = Cl, ,Br) mit olivinstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","993","998","","powder diffraction","","1.594","neutron","","","","","","","","","7.63","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517838","14.4631","0.0005","8.5302","0.0003","6.7661","0.0002","90","","90","","90","","834.75","0.05","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Br4 Na2 Zn -","- Br4 Na2 Zn -","- Br16 Na8 Zn4 -","4","0.5","","Pfitzner, A.; Cockcroft, J. K.; Solinas, I.; Litz, H. D.","Neue halogenozinkate(II) M[I]2ZnX4 (M[I] = Li, Na; X = Cl, ,Br) mit olivinstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","993","998","","powder diffraction","","1.594","neutron","","","","","","","","","9.29","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517873","11.4347","0.0001","23.4865","0.0002","15.1315","0.0001","90","","90","","90","","4063.73","0.06","123","1","123","1","","","","","","","see text","4","P n m a","-P 2ac 2n","62","","","","- C9 H13 Fe P5 -","- C9 H13 Fe P5 -","- C108 H156 Fe12 P60 -","12","1.5","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","1.54178","CuKα","","0.0225","0.0213","","","0.0541","0.0549","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518186","5.649","0.001","12.88","0.002","7.039","0.001","90","","90","","90","","512.15","0.14","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F5 H6 N2 Sb -","- F5 H6 N2 Sb -","- F20 H24 N8 Sb4 -","4","0.5","","Gantar, Darja; Golic, Ljubo; Leban, Ivan; Rahten, Anka","Crystal structures of hydrazinium (2+) fluorometallates : crystal structures of hydrazinium (2+) difluoride hexafluorogermanate (IV) and hydrazinium (2+) pentafluoroantimonate (III)","Revue de Chimie Minerale","1986","23","","668","675","","","x-ray","0.71069","MoKα","","","0.062","","","0.058","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518205","10.9145","","8.5648","","14.9538","","90","","90","","90","","1397.89","","","","453","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cd Cs2 I4 -","- Cd Cs2 I4 -","- Cd4 Cs8 I16 -","4","0.5","","Touchard, V.; Louer, M.; Auffredic, J. P.; Louer, D.","Polymorphisme de l'iodure de cesium et de cadmium","Revue de Chimie Minerale","1987","24","","414","426","","powder diffraction","x-ray","1.5417","CuKα","","","","","","","","","13.27","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518477","18.89","0.005","16.805","0.004","13.196","0.003","90","","90","","90","","4189","1.8","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H22 F6 N O6 Pd Sb -","- C15 H22 F6 N O6 Pd Sb -","- C120 H176 F48 N8 O48 Pd8 Sb8 -","8","1","","Commarieu, Basile; Claverie, Jerome P.","Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism","Chem. Sci.","2015","6","4","2172","","10.1039/C4SC03575E","","","0.71073","MoKα","","0.0368","0.0293","","","0.0711","0.0768","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518738","20.703","0.004","9.885","0.002","14.702","0.003","90","","90","","90","","3008.8","1","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19.5 H18.5 As3 Cl6.5 S6 -","- C18 H18 As3 Cl3 S6 -","- C72 H72 As12 Cl12 S24 -","4","0.5","","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","","","0.71073","MoKα","","0.1259","0.0713","","","0.1818","0.21","","","","","","1.014","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519011","5.6085","0.0006","10.917","0.016","12.042","0.002","90","","90","","90","","737.3","1.1","","","294","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H4 Mn O8 V2 -","- Mn O8 V2 -","- Mn4 O32 V8 -","4","0.5","","M. Ishaque Khan; T. Hope; S. Tabassum","Synthesis, reactivity, x-ray structure and thermal study of the mixed-metal oxide hydrate [Mn(H2O)2V2O6]","Solid State Sciences","1999","1","","163","178","","","x-ray","0.71073","MoKα","","","0.0241","","","0.0623","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519054","8.3128","0.0009","6.9255","0.0007","6.3905","0.0007","90","","90","","90","","367.9","0.07","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F O4 S Y -","- F O4 S Y -","- F4 O16 S4 Y4 -","4","0.5","","Xiqu Wang; Lumei Liu; Kent Ross; Allan J. Jacobson","Synthesis and crystal structures of yttrium sulfates Y(OH)(SO4), Y(SO4)F, YNi(OH)3(SO4)-II and Y2Cu(OH)3(SO4)2F.H2O","Solid State Sciences","1998","2","","109","118","","","x-ray","0.71073","MoKα","","","0.037","","","0.0894","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519055","6.9695","0.0008","7.2615","0.0008","10.292","0.001","90","","90","","90","","520.87","0.1","","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H3 Ni O7 S Y -","- H3 Ni O7 S Y -","- H12 Ni4 O28 S4 Y4 -","4","0.5","","Xiqu Wang; Lumei Liu; Kent Ross; Allan J. Jacobson","Synthesis and crystal structures of yttrium sulfates Y(OH)(SO4), Y(SO4)F, YNi(OH)3(SO4)-II and Y2Cu(OH)3(SO4)2F.H2O","Solid State Sciences","1998","2","","109","118","","","x-ray","0.71073","MoKα","","","0.0369","","","0.0736","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519542","10.0317","0.0005","16.1909","0.001","15.0201","0.0009","90","","90","","90","","2439.6","0.2","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H36 Cl2 Fe P2 Pd -","- C22 H36 Cl2 Fe P2 Pd -","- C88 H144 Cl8 Fe4 P8 Pd4 -","4","0.5","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C22H36Cl2FeP2Pd","Crystal Structure Report Archive","2003","","","915","","","","","0.71073","MoKα","","0.0607","0.0449","","","0.1095","0.1198","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519682","9.825","0.007","13.257","0.01","18.114","0.014","90","","90","","90","","2359","3","","","297","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H30 B18 Ni -","- C15 B17 Ni -","- C60 B68 Ni4 -","4","0.5","","Schubert, David M.; Harwell, David E.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Structural Characterization of Charge Transfer Complexes of the Nickel(IV) Bis(3,1,2-dicarbollyl) Sandwich Compound","Acta Chemica Scandinavica","1999","53","","721","730","","","x-ray","1.5418","CuKα","","","0.077","","","0.09","","","","","","","","","","","has coordinates","136666","2020-10-21","18:00:00",""
"1519915","8.3358","0.0006","26.3096","0.0017","5.6923","0.0003","90","","90","","90","","1248.39","0.14","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H12 S -","- C18 H12 S -","- C72 H48 S4 -","4","0.5","","Coles, Simon J.; Hursthouse, Michael B.; Skabara, Peter J.; Afonina, Irina; Kanibolotsky, Alexander","10,11-Dihydrodiindeno[1,2-b:2',1'-d]thiophene","Crystal Structure Report Archive","2008","","","604","","","","","0.71073","MoKα","","0.078","0.0629","","","0.1449","0.1586","","","","","","1.069","","","","has coordinates","137248","2020-10-21","18:00:00",""
"1520159","8.5936","0.0002","7.2391","0.0002","9.1897","0.0003","90","","90","","90","","571.69","0.03","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","4-chloroaniline","","- C6 H6 Cl N -","- C6 H6 Cl N -","- C24 H24 Cl4 N4 -","4","0.5","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","4-Chloroaniline - C6H6ClN","Crystal Structure Report Archive","2008","","","695","","","","","0.71073","MoKα","","0.0254","0.0244","","","0.0647","0.0655","","","","","","1.188","","","","has coordinates","137600","2020-10-21","18:00:00",""
"1520358","19.3041","0.0007","13.1353","0.0005","10.1462","0.0003","90","","90","","90","","2572.72","0.16","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C31 H32 B N O2 -","- C31 H32 B N O3 -","- C124 H128 B4 N4 O12 -","4","0.5","","Tizzard, Graham. J.; Coles, Simon J.; Hursthouse, Michael B.; Motherwell, W. B.","(C8H14NO2)+ . (C24H20B)-","Crystal Structure Report Archive","2009","","","816","","","","","0.71073","MoKα","","0.0769","0.0699","","","0.167","0.172","","","","","","1.058","","","","has coordinates,has disorder","138361","2020-10-21","18:00:00",""
"1520500","11.89","0.003","6.929","0.003","12.095","0.004","90","","90","","90","","996.5","0.6","","","293","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- As Ba H8 N O2 S4 -","- As Ba H8 N O2 S4 -","- As4 Ba4 H32 N4 O8 S16 -","4","0.5","","Michael B. Korzenski; George L. Schimek; Joseph W. Kolis","Hydrothermal synthesis and characterization of a new hydrated ammonium barium thioarsenate: (NH4)BaAsS4.2H2O","Solid State Sciences","2000","2","","379","383","","","x-ray","0.71073","MoKα","","","0.023","","","0.0307","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520835","5.53","","10.621","","11.756","","90","","90","","90","","690.478","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ni (V O3)2 (H2 O)2","","- H4 Ni O8 V2 -","- H4 Ni O8 V2 -","- H16 Ni4 O32 V8 -","4","0.5","","Baudrin, E.; Touboul, M.; Nowogrocki, G.","Synthesis and crystal structure of Ni (V O3)2 . 4(H2 O) and alpha-(Ni (V O3)2 . 2(H2 O))","Journal of Solid State Chemistry","2000","152","","511","516","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520843","8.63498","","15.7311","","8.38875","","90","","90","","90","","1139.51","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb3 Pb Cl5","","- Cl5 Pb Rb3 -","- Cl5 Pb Rb3 -","- Cl20 Pb4 Rb12 -","4","0.5","","Beck, H.P.; Monzel, H.; Haberkorn, R.; Stephens, P.W.; Dinnebier, R.E.","Synthese und Kristallstruktur von Rb3 Pb Cl5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1998","2002","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520850","8.5988","","6.6234","","11.5988","","90","","90","","90","","660.59","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 Mg D4","","- Cs2 D4 Mg -","- Cs2 D4 Mg -","- Cs8 D16 Mg4 -","4","0.5","","Bertheville, B.; Fischer, P.; Yvon, K.","Synthesis and crystal structures of Cs2 Mg D4 and Cs3 Mg D5","Journal of Alloys Compd.","2000","302","","12","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520875","16.109","","10.591","","4.786","","90","","90","","90","","816.541","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Rb2 Te3 -","- Rb2 Te3 -","- Rb8 Te12 -","4","0.5","","Boettcher, P.","Synthesis and crystal strucuture of Rb2 Te3 and Cs2 Te3","Journal of the Less-Common Metals","1980","70","","263","271","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1520893","5.4762","","7.7438","","5.4892","","90","","90","","90","","232.778","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.5 Sr0.5) Fe O3","","- Fe O3 Pr0.5 Sr0.5 -","- Fe O3 Pr0.5 Sr0.5 -","- Fe4 O12 Pr2 Sr2 -","4","0.5","","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",""
"1520905","7.433","","11.341","","12.016","","90","","90","","90","","1012.92","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K3 (Fe2 Se4)","","- Fe2 K3 Se4 -","- Fe2 K3 Se4 -","- Fe8 K12 Se16 -","4","0.5","","Bronger, W.; Genin, H.S.; Mueller, P.","K3 Fe Se3 und K3 Fe2 Se4, zwei neue Verbindungen im System K / Fe /Se","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","274","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","140471","2020-10-21","18:00:00",""
"1520908","5.3649","","7.6062","","5.4089","","90","","90","","90","","220.718","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.8 Sr0.2) (Co O3)","","- Co O3 Pr0.8 Sr0.2 -","- Co O3 Pr0.8 Sr0.2 -","- Co4 O12 Pr3.2 Sr0.8 -","4","0.5","","Brinks, H.W.; Fjellvag, H.; Kjekshus, A.; Hauback, B.C.","Structure and magnetism of Pr1-x Srx Co O3-d","Journal of Solid State Chemistry","1999","147","","464","477","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520912","5.5192","","7.7557","","5.4858","","90","","90","","90","","234.821","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.8 Sr0.2) Fe O3","","- Fe O3 Pr0.8 Sr0.2 -","- Fe O3 Pr0.8 Sr0.2 -","- Fe4 O12 Pr3.2 Sr0.8 -","4","0.5","","Brinks, H.W.; Fjellvag, H.; Hauback, B.C.; Kjekshus, A.","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",""
"1520913","8.13","","5.16","","9.54","","90","","90","","90","","400.211","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Sr2 Si","","- Si Sr2 -","- Si Sr2 -","- Si4 Sr8 -","4","0.5","","Bruzzone, G.; Franceschi, E.","On the occurrence of M2 X intermetallic compounds (M = Ca, Sr, Ba; X = Si, Ge, Sn, Pb)","Journal of the Less-Common Metals","1978","57","","201","208","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520914","8.153","","5.166","","9.593","","90","","90","","90","","404.042","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Sr2 Ge","","- Ge Sr2 -","- Ge Sr2 -","- Ge4 Sr8 -","4","0.5","","Bruzzone, G.; Franceschi, E.","On the occurrence of M2 X intermetallic compounds (M = Ca, Sr, Ba; X = Si, Ge, Sn, Pb)","Journal of the Less-Common Metals","1978","57","","201","208","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520940","19.482","","8.523","","9.83","","90","","90","","90","","1632.22","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K Hg Sb Se3","","- Hg K Sb Se3 -","- Hg K0.9995 Sb Se3 -","- Hg8 K7.996 Sb8 Se24 -","8","1","","Chen, Z.; Wang, R.-J.","Crystal structures and semiconductor properties of alkaline metal selenides MHgSbSe~3~ (M = K, Rb, Cs)","Acta Chimica Sinica","2000","58","3","326","331","","","","","","","0.077","","","0.118","","","","","","","","","","","","has coordinates","188714","2020-10-21","18:00:00",""
"1520947","5.482","","7.778","","5.5253","","90","","90","","90","","235.593","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","La (Mn O3)","","- La Mn O3 -","- La Mn O3 -","- La4 Mn4 O12 -","4","0.5","","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",""
"1520948","5.5079","","7.7948","","5.5463","","90","","90","","90","","238.119","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La0.95 Ba0.05 Mn O3","","- Ba0.05 La0.95 Mn O3 -","- Ba0.05 La0.95 Mn O3 -","- Ba0.2 La3.8 Mn4 O12 -","4","0.5","","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",""
"1520949","5.5079","","7.816","","5.5516","","90","","90","","90","","238.995","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La0.925 Ba0.075 Mn O3","","- Ba0.075 La0.925 Mn O3 -","- Ba0.075 La0.925 Mn O3 -","- Ba0.3 La3.7 Mn4 O12 -","4","0.5","","Cherepanov, V.A.; Filonova, E.A.; Berger, I.F.; Voronin, V.I.","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",""
"1520950","5.476","","7.786","","5.523","","90","","90","","90","","235.479","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La0.9 Ba0.1 Mn O3","","- Ba0.1 La0.9 Mn O3 -","- Ba0.1 La0.9 Mn O3 -","- Ba0.4 La3.6 Mn4 O12 -","4","0.5","","Cherepanov, V.A.; Filonova, E.A.; Berger, I.F.; Voronin, V.I.","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",""
"1520964","9.12","","8.141","","15.234","","90","","90","","90","","1131.06","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rb Sr (P3 O9) (H2 O)3","","- H6 O12 P3 Rb Sr -","- H6 O12 P3 Rb Sr -","- H24 O48 P12 Rb4 Sr4 -","4","0.5","","El Kababi, K.; Sbai, K.; Vilminot, S.","Synthesis, thermal behaviour and crystal structure of Rb Sr P3 O9 . 3(H2 O)","C.R. Acad. Sci. Paris, T. 1, Serie II","2000","3","","693","701","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521012","20.77499","","7.822","","6.963","","90","","90","","90","","1131.5","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K5 (La0.95 Er0.05) Li2 F10","","- Er0.05 F10 K5 La0.95 Li2 -","- Er0.05 F10 K5 La0.95 Li2 -","- Er0.2 F40 K20 La3.8 Li8 -","4","0.5","","Dominiak-Dzik, G.; Hermanowicz, K.; Golab, S.; Baluka, M.; Pietraszko, A.","K5 La Li2 F10 : Er(3+) crystals. Growth, structure and optical properties","Journal of Physics: Condensed Matter","1999","11","","5245","5256","","","","","","","","","","","","","","","","","","","","","","has coordinates","140638","2020-10-21","18:00:00",""
"1521028","7.463","","14.742","","7.778","","90","","90","","90","","855.732","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ce Y4 Si4","","- Ce Si4 Y4 -","- Ce Si4 Y4 -","- Ce4 Si16 Y16 -","4","0.5","","Flandorfer, H.; Godart, C.; Groebner, J.; Kostikas, A.; Rogl, P.; Psicharis, V.; Effenberg, G.; Ferro, R.; Saccone, A.","The ternary system Ce - Si - Y. Phase relations, crystallographic and magnetic properties","Journal of Alloys Compd.","2000","297","","129","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521040","5.3433","","7.5574","","5.3602","","90","","90","","90","","216.453","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Ca0.89 Sr0.11) (V O3)","","- Ca0.89 O3 Sr0.11 V -","- Ca0.89 O3 Sr0.11 V -","- Ca3.56 O12 Sr0.44 V4 -","4","0.5","","Garcia-Jaca, J.; Mesa, J.L.; Insausti, M.; Larramendi, J.I.R.; Arriortua, M.I.; Rojo, T.","Synthesis, crystal structure, stoichiometry and magnetic properties of (Ca1-x Srx) V O3","Materials Research Bulletin","1999","34","","289","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521046","5.3531","","7.5656","","5.3764","","90","","90","","90","","217.741","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Ca0.8 Sr0.2) (V O3)","","- Ca0.8 O3 Sr0.2 V -","- Ca0.8 O3 Sr0.2 V -","- Ca3.2 O12 Sr0.8 V4 -","4","0.5","","Garcia-Jaca, J.; Rojo, T.; Mesa, J.L.; Arriortua, M.I.; Insausti, M.; Larramendi, J.I.R.","Synthesis, crystal structure, stoichiometry and magnetic properties of (Ca1-x Srx) V O3","Materials Research Bulletin","1999","34","","289","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521050","7.5916","","6.4713","","7.4216","","90","","90","","90","","364.605","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li (V O) (As O4)","","- As Li O5 V -","- As Li O5 V -","- As4 Li4 O20 V4 -","4","0.5","","Gaubicher, J.; Villesuzanne, A.; Orsini, F.; Angenault, J.; Llorente, S.; le Mercier, T.; Quarton, M.","Synthesis, structure and physical studies of the new beta-(Li V O As O4) compound","Journal of Solid State Chemistry","2000","150","","250","257","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521059","6.2517","","8.7906","","6.2271","","90","","90","","90","","342.218","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ba (Ce O3)","","- Ba Ce O3 -","- Ba Ce O3 -","- Ba4 Ce4 O12 -","4","0.5","","Genet, F.; Loridant, S.; Ritter, C.; Lucazeau, G.","Phase transitions in Ba Ce O3 : neutron diffraction and Raman studies","Journal of Physics and Chemistry of Solids","1999","60","","2009","2021","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521064","9.777","","7.514","","13.234","","90","","90","","90","","972.228","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 Mg Cl4","","- Cl4 Cs2 Mg -","- Cl4 Cs2 Mg -","- Cl16 Cs8 Mg4 -","4","0.5","","Gibbons, C.S.; Whitla, W.A.; Reinsborough, V.C.","Crystal Structures of K2 Mg Cl4 and Cs2 Mg Cl4","Canadian Journal of Chemistry","1975","53","","114","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521092","16.823","","6.222","","4.795","","90","","90","","90","","501.906","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tl Te F5","","- F5 Te Tl -","- F5 Te Tl -","- F20 Te4 Tl4 -","4","0.5","","Guillet, L.; Frit, B.; Laval, J.P.","Crystal structure of Tl Te F5","Journal of Fluorine Chemistry","2000","103","","13","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521113","10.0082","","3.3771","","11.8173","","90","","90","","90","","399.409","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr Tm2 O4","","- O4 Sr Tm2 -","- O4 Sr Tm2 -","- O16 Sr4 Tm8 -","4","0.5","","Han, C.Q.; Chen, X.L.; Liang, J.K.; Chen, Y.; Liu, Q.L.; Rao, G.-H.","The ternary system Tm2 O3 - Sr O - Cu O : compounds and phase relations","Journal of Alloys Compd.","2000","309","","95","99","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521114","5.6894","","8.0684","","5.6944","","90","","90","","90","","261.398","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr (Nb O3)","","- Nb O3 Sr -","- Nb O3 Sr -","- Nb4 O12 Sr4 -","4","0.5","","Hannerz, H.; Svensson, G.; D'yachenko, O.G.; Istomin, S.Ya.","Transmission electron microscopy and neutron powder diffraction studies of (Gd Fe O3)-type Sr Nb O3","Journal of Solid State Chemistry","1999","147","","421","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521134","5.3297","","7.5665","","5.3511","","90","","90","","90","","215.795","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Ca0.81 Sr0.19) (V O3)","","- Ca0.81 O3 Sr0.19 V -","- Ca0.81 O3 Sr0.19 V -","- Ca3.24 O12 Sr0.76 V4 -","4","0.5","","Garcia-Jaca, J.; Mesa, J.L.; Insausti, M.; Larramendi, J.I.R.; Arriortua, M.I.; Rojo, T.","Synthesis, crystal structure, stoichiometry and magnetic properties of (Ca1-x Srx) V O3","Materials Research Bulletin","1999","34","","289","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521153","5.67921","","7.70305","","5.54104","","90","","90","","90","","242.405","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","La (Mn O3)","","- La Mn O3 -","- La Mn O3 -","- La4 Mn4 O12 -","4","0.5","","Hibble, S.J.; Cooper, S.P.; Hannon, A.C.; Fawcett, I.D.; 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",""
"1521154","5.45917","","7.71684","","5.47539","","90","","90","","90","","230.665","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(La0.7 Ca0.3) (Mn O3)","","- Ca0.3 La0.7 Mn O3 -","- Ca0.3 La0.7 Mn O3 -","- Ca1.2 La2.8 Mn4 O12 -","4","0.5","","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",""
"1521155","5.47967","","7.7495","","5.50384","","90","","90","","90","","233.719","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(La0.8 Ca0.2) (Mn O3)","","- Ca0.2 La0.8 Mn O3 -","- Ca0.2 La0.8 Mn O3 -","- Ca0.8 La3.2 Mn4 O12 -","4","0.5","","Hibble, S.J.; Fawcett, I.D.; Cooper, S.P.; 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",""
"1521158","20.062","","19.88","","13.387","","90","","90","","90","","5339.17","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ti0.309 Si11.691 O24","","- O24 Si11.691 Ti0.309 -","- O24 Si11.691 Ti0.309 -","- O192 Si93.528 Ti2.472 -","8","1","","Hijar, C.A.; Jacubinas, R.M.; Henson, N.J.; Eckert, J.; Hay, P.J.; Ott, K.C.","The siting of Ti in TS-1 is non-random. Powder neutron diffraction studies and theoretical calculations of TS-1 and FeS=1","J. Phys. Chem. B","2000","104","","12157","12164","","","","","","","","","","","","","","","","","","","","","","has coordinates","140825","2020-10-21","18:00:00",""
"1521179","9.128","","5.728","","7.436","","90","","90","","90","","388.793","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","K (Mn O4)","Bahariyaite","- K Mn O4 -","- K Mn O4 -","- K4 Mn4 O16 -","4","0.5","","Hoppe, R.; Fischer, D.; Schneider, J.","Zur Kenntnis von Oxyden A (M O4): Ueber Li Mn O4, K Mn O4, Rb Mn O4, Cs Mn O4 sowie Rb I O4 und Cs I O4. (-Was heisst eigentlich ""Die Kristallstruktur von...""?-)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1135","1142","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:46",""
"1521180","9.5411","","5.7392","","7.6363","","90","","90","","90","","418.151","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb (Mn O4)","","- Mn O4 Rb -","- Mn O4 Rb -","- Mn4 O16 Rb4 -","4","0.5","","Hoppe, R.; Fischer, D.; Schneider, J.","Zur Kenntnis von Oxyden A (M O4): Ueber Li Mn O4, K Mn O4, Rb Mn O4, Cs Mn O4 sowie Rb I O4 und Cs I O4. (-Was heisst eigentlich ""Die Kristallstruktur von...""?-)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1135","1142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521181","10.063","","5.8012","","7.9435","","90","","90","","90","","463.721","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs (Mn O4)","","- Cs Mn O4 -","- Cs Mn O4 -","- Cs4 Mn4 O16 -","4","0.5","","Hoppe, R.; Fischer, D.; Schneider, J.","Zur Kenntnis von Oxyden A (M O4): Ueber Li Mn O4, K Mn O4, Rb Mn O4, Cs Mn O4 sowie Rb I O4 und Cs I O4. (-Was heisst eigentlich ""Die Kristallstruktur von...""?-)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1135","1142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521182","5.863","","6.035","","14.377","","90","","90","","90","","508.704","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs (I O4)","","- Cs I O4 -","- Cs I O4 -","- Cs4 I4 O16 -","4","0.5","","Hoppe, R.; Fischer, D.; Schneider, J.","Zur Kenntnis von Oxyden A (M O4): Ueber Li Mn O4, K Mn O4, Rb Mn O4, Cs Mn O4 sowie Rb I O4 und Cs I O4. (-Was heisst eigentlich ""Die Kristallstruktur von...""?-)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1135","1142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521193","9.273","","4.053","","10.38","","90","","90","","90","","390.116","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Cu2 S2 -","- Ba Cu2 S2 -","- Ba4 Cu8 S8 -","4","0.5","","Huster, J.; Bronger, W.","alpha- und beta-(Ba Cu2 X2) (X = S, Se) - Darstellung von Einkristallen in Kaliumchalkogenocyanat-Schmelzen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","2033","2040","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521194","9.595","","4.208","","10.773","","90","","90","","90","","434.968","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Cu2 Se2 -","- Ba Cu2 Se2 -","- Ba4 Cu8 Se8 -","4","0.5","","Huster, J.; Bronger, W.","alpha- und beta-(Ba Cu2 X2) (X = S, Se) - Darstellung von Einkristallen in Kaliumchalkogenocyanat-Schmelzen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","2033","2040","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521202","6.62","","3.801","","7.643","","90","","90","","90","","192.318","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Sc0.85 Lu0.15) Mn Si","","- Lu0.15 Mn Sc0.85 Si -","- Lu0.15 Mn Sc0.85 Si -","- Lu0.6 Mn4 Sc3.4 Si4 -","4","0.5","","Ijjaali, I.; Malaman, B.; Welter, R.; Venturini, G.","Refinements of the Ti Ni Si - type R Mn Si (R = Tb, Lu, Sc) and Dy Co Si structures from single crystal X-ray diffraction","Journal of Alloys Compd.","1999","292","","4","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521203","6.82","","3.962","","7.839","","90","","90","","90","","211.816","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Lu Mn Si -","- Lu Mn Si -","- Lu4 Mn4 Si4 -","4","0.5","","Ijjaali, I.; Welter, R.; Malaman, B.; Venturini, G.","Refinements of the Ti Ni Si - type R Mn Si (R = Tb, Lu, Sc) and Dy Co Si structures from single crystal X-ray diffraction","Journal of Alloys Compd.","1999","292","","4","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521204","6.992","","4.086","","7.974","","90","","90","","90","","227.812","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tb Mn Si","","- Mn Si Tb -","- Mn Si Tb -","- Mn4 Si4 Tb4 -","4","0.5","","Ijjaali, I.; Welter, R.; Malaman, B.; Venturini, G.","Refinements of the Ti Ni Si - type R Mn Si (R = Tb, Lu, Sc) and Dy Co Si structures from single crystal X-ray diffraction","Journal of Alloys Compd.","1999","292","","4","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521205","6.866","","4.158","","7.086","","90","","90","","90","","202.297","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dy Co Si","","- Co Dy Si -","- Co Dy Si -","- Co4 Dy4 Si4 -","4","0.5","","Ijjaali, I.; Welter, R.; Venturini, G.; Malaman, B.","Refinements of the Ti Ni Si - type R Mn Si (R = Tb, Lu, Sc) and Dy Co Si structures from single crystal X-ray diffraction","Journal of Alloys Compd.","1999","292","","4","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521251","6.007","","3.602","","6.897","","90","","90","","90","","149.232","","","","","","","","","","","","","8","P n m a","-P 2ac 2n","62","","Fe (Ti0.87 Ni0.13 Cr0.03 V0.02 Co0.01) (P0.97 Si0.03)","","- Co0.01 Cr0.03 Fe Ni0.13 P0.97 Si0.03 Ti0.87 V0.02 -","- Co0.01 Cr0.03 Fe Ni0.13 P0.97 Si0.03 Ti0.87 V0.02 -","- Co0.04 Cr0.12 Fe4 Ni0.52 P3.88 Si0.12 Ti3.48 V0.08 -","4","0.5","","Ivanov, A.V.; Mikouchi, T.; Zolensky, M.E.; Saito, A.; Yang, S.V.; Ohsumi, K.; Kononkova, N.N.","Florenskyite, Fe Ti P, a new phosphide from the Kaidun meteorite","American Mineralogist","2000","85","","1082","1086","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521327","7.071","","8.223","","9.5","","90","","90","","90","","552.376","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cu (V O) (Se O3)2","","- Cu O7 Se2 V -","- Cu O7 Se2 V -","- Cu4 O28 Se8 V4 -","4","0.5","","Millet, P.; Enjalbert, R.; Galy, J.","Cu (V O) (Se O3)2 (A) und (B) forms: synthesis and crystal structures of new copper(II)-vanadyl(IV) diselenites","Journal of Solid State Chemistry","1999","147","","296","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521336","5.5146","","7.792","","5.5437","","90","","90","","90","","238.211","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(La0.9 Sr0.1) Mn O2.95","","- La0.9 Mn O2.95 Sr0.1 -","- La0.9 Mn O2.9499 Sr0.1 -","- La3.6 Mn4 O11.7996 Sr0.4 -","4","0.5","","Mori, T.; Inoue, K.; Kamegashira, N.","Phase behaviour in the system Lax Sr1-x Mn O(5+x)/2 (x=0.8-1.0) with trivalent state of manganese ion","Journal of Alloys Compd.","2000","308","","87","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521337","5.7478","","7.6921","","5.5352","","90","","90","","90","","244.726","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","La (Mn O3)","","- La Mn O3 -","- La Mn O3 -","- La4 Mn4 O12 -","4","0.5","","Mori, T.; Inoue, K.; Kamegashira, N.","Phase behaviour in the system Lax Sr1-x Mn O(5+x)/2 (x=0.8-1.0) with trivalent state of manganese ion","Journal of Alloys Compd.","2000","308","","87","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521361","5.6913","","7.8355","","5.55","","90","","90","","90","","247.498","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La2 Mn Ru O5.985","","- La2 Mn O5.985 Ru -","- La2 Mn O5.985 Ru -","- La4 Mn2 O11.97 Ru2 -","2","0.25","","Kamegashira, N.; Mori, T.; Imamura, A.; Hinatsu, Y.","Crystal structure and magnetic property of La2 Mn Ru O6 phase","Journal of Alloys Compd.","2000","302","","6","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521362","5.5593","","7.8309","","5.5484","","90","","90","","90","","241.546","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(La2 Mn Ru O6.125)0.9796","","- La1.9592 Mn0.9796 O6.00005 Ru0.9796 -","- La1.9592 Mn0.9796 O6 Ru0.9796 -","- La3.9184 Mn1.9592 O12 Ru1.9592 -","2","0.25","","Kamegashira, N.; Mori, T.; Imamura, A.; Hinatsu, Y.","Crystal structure and magnetic property of La2 Mn Ru O6 phase","Journal of Alloys Compd.","2000","302","","6","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","141571","2020-10-21","18:00:00",""
"1521396","7.76","","3.79","","13.16","","90","","90","","90","","387.041","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ce (Cr S3)","","- Ce Cr S3 -","- Ce Cr S3 -","- Ce4 Cr4 S12 -","4","0.5","","Kikkawa, S.; Fujii, Y.; Miyamoto, Y.; Rouxel, J.; Meerschaut, A.; Lafond, A.","High pressure synthesis of Ln Cr S3 (Ln = La, Ce, Nd, Sm) and La Cr1-x Fex S3 (x < 0.2) with N H4 Cd Cl3 structure type","Materials Research Bulletin","1999","34","","279","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521397","7.69","","3.77","","13.06","","90","","90","","90","","378.626","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Nd (Cr S3)","","- Cr Nd S3 -","- Cr Nd S3 -","- Cr4 Nd4 S12 -","4","0.5","","Kikkawa, S.; Fujii, Y.; Meerschaut, A.; Miyamoto, Y.; Lafond, A.; Rouxel, J.","High pressure synthesis of Ln Cr S3 (Ln = La, Ce, Nd, Sm) and La Cr1-x Fex S3 (x < 0.2) with N H4 Cd Cl3 structure type","Materials Research Bulletin","1999","34","","279","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521398","7.64","","3.74","","12.97","","90","","90","","90","","370.6","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sm (Cr S3)","","- Cr S3 Sm -","- Cr S3 Sm -","- Cr4 S12 Sm4 -","4","0.5","","Kikkawa, S.; Fujii, Y.; Miyamoto, Y.; Rouxel, J.; Lafond, A.; Meerschaut, A.","High pressure synthesis of Ln Cr S3 (Ln = La, Ce, Nd, Sm) and La Cr1-x Fex S3 (x < 0.2) with N H4 Cd Cl3 structure type","Materials Research Bulletin","1999","34","","279","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521434","6.239","","3.796","","7.196","","90","","90","","90","","170.425","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Eu D2","","- D2 Eu -","- D2 Eu -","- D8 Eu4 -","4","0.5","","Kohlmann, H.; Yvon, K.","The crystal structures of Eu H2 and Eu Li H3 by neutron powder diffraction","Journal of Alloys Compd.","2000","299","","16","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521513","30.557","","5.809","","7.183","","90","","90","","90","","1275.02","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Pb6 O4) (O H) (N O3) (C O3)","","- C H N O11 Pb6 -","- C N O11 Pb6 -","- C4 N4 O44 Pb24 -","4","0.5","","Li, Y.-P.; Krivovichev, S.V.; Burns, P.C.","Crystal chemistry of lead oxide hydroxide nitrates. I. The crystal structure of (Pb6 O4) (O H) (N O3) (C O3)","Journal of Solid State Chemistry","2000","153","","365","370","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521567","6.691","","4.146","","7.365","","90","","90","","90","","204.312","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Lu Rh Si -","- Lu Rh Si -","- Lu4 Rh4 Si4 -","4","0.5","","Morozkin, A.V.; Sviridov, I.A.","New ternary compounds in the Lu - (Ru, Rh) - (Si, Ge) systems","Journal of Alloys Compd.","2000","296","","4","5","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521568","6.871","","4.259","","7.305","","90","","90","","90","","213.771","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lu Ru Ge","","- Ge Lu Ru -","- Ge Lu Ru -","- Ge4 Lu4 Ru4 -","4","0.5","","Morozkin, A.V.; Sviridov, I.A.","New ternary compounds in the Lu - (Ru, Rh) - (Si, Ge) systems","Journal of Alloys Compd.","2000","296","","4","5","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521569","6.736","","4.216","","7.493","","90","","90","","90","","212.794","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lu Rh Ge","","- Ge Lu Rh -","- Ge Lu Rh -","- Ge4 Lu4 Rh4 -","4","0.5","","Morozkin, A.V.; Sviridov, I.A.","New ternary compounds in the Lu - (Ru, Rh) - (Si, Ge) systems","Journal of Alloys Compd.","2000","296","","4","5","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521646","7.5115","","10.6775","","7.4468","","90","","90","","90","","597.263","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4) Ca Cl3","","- Ca Cl3 H4 N -","- Ca Cl3 H4 N -","- Ca4 Cl12 H16 N4 -","4","0.5","","Naegele, A.; Meyer, H.J.; Glaser, J.; Gibson, K.","N H4 Ca Cl3, die reaktive Zwischenstufe in einer Synthese von Ca Cl2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1940","1943","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1521654","13.6883","","4.5148","","16.3427","","90","","90","","90","","1009.98","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Sm2 Te4 -","- Ba Sm2 Te4 -","- Ba4 Sm8 Te16 -","4","0.5","","Narducci, A.A.; Yang, Y.-T.; Digman, M.A.; Ibers, J.A.; Sipes, A.B.","An investigation of the rare-earth telluride system Ba Ln2 Te4 (Ln = Sm - Tm, Y): syntheses, crystal structures and magnetic properties","Journal of Alloys Compd.","2000","303","","432","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521655","13.6924","","4.4822","","16.25969","","90","","90","","90","","997.891","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Gd2 Te4 -","- Ba Gd2 Te4 -","- Ba4 Gd8 Te16 -","4","0.5","","Narducci, A.A.; Yang, Y.-T.; Digman, M.A.; Sipes, A.B.; Ibers, J.A.","An investigation of the rare-earth telluride system Ba Ln2 Te4 (Ln = Sm - Tm, Y): syntheses, crystal structures and magnetic properties","Journal of Alloys Compd.","2000","303","","432","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521656","13.6611","","4.4611","","16.1817","","90","","90","","90","","986.17","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Tb2 Te4 -","- Ba Tb2 Te4 -","- Ba4 Tb8 Te16 -","4","0.5","","Narducci, A.A.; Yang, Y.-T.; Sipes, A.B.; Digman, M.A.; Ibers, J.A.","An investigation of the rare-earth telluride system Ba Ln2 Te4 (Ln = Sm - Tm, Y): syntheses, crystal structures and magnetic properties","Journal of Alloys Compd.","2000","303","","432","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521657","13.6567","","4.4517","","16.1465","","90","","90","","90","","981.635","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Dy2 Te4 -","- Ba Dy2 Te4 -","- Ba4 Dy8 Te16 -","4","0.5","","Narducci, A.A.; Yang, Y.-T.; Sipes, A.B.; Digman, M.A.; Ibers, J.A.","An investigation of the rare-earth telluride system Ba Ln2 Te4 (Ln = Sm - Tm, Y): syntheses, crystal structures and magnetic properties","Journal of Alloys Compd.","2000","303","","432","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521658","13.646","","4.443","","16.141","","90","","90","","90","","978.616","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ba Y2 Te4","","- Ba Te4 Y2 -","- Ba Te4 Y2 -","- Ba4 Te16 Y8 -","4","0.5","","Narducci, A.A.; Yang, Y.-T.; Digman, M.A.; Sipes, A.B.; Ibers, J.A.","An investigation of the rare-earth telluride system Ba Ln2 Te4 (Ln = Sm - Tm, Y): syntheses, crystal structures and magnetic properties","Journal of Alloys Compd.","2000","303","","432","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521659","13.6211","","4.4322","","16.0959","","90","","90","","90","","971.733","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Ho2 Te4 -","- Ba Ho2 Te4 -","- Ba4 Ho8 Te16 -","4","0.5","","Narducci, A.A.; Yang, Y.-T.; Digman, M.A.; Ibers, J.A.; Sipes, A.B.","An investigation of the rare-earth telluride system Ba Ln2 Te4 (Ln = Sm - Tm, Y): syntheses, crystal structures and magnetic properties","Journal of Alloys Compd.","2000","303","","432","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521660","13.5992","","4.4177","","16.0487","","90","","90","","90","","964.161","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Er2 Te4 -","- Ba Er2 Te4 -","- Ba4 Er8 Te16 -","4","0.5","","Narducci, A.A.; Yang, Y.-T.; Ibers, J.A.; Sipes, A.B.; Digman, M.A.","An investigation of the rare-earth telluride system Ba Ln2 Te4 (Ln = Sm - Tm, Y): syntheses, crystal structures and magnetic properties","Journal of Alloys Compd.","2000","303","","432","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521661","13.5677","","4.4058","","15.9989","","90","","90","","90","","956.359","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ba Tm2 Te4","","- Ba Te4 Tm2 -","- Ba Te4 Tm2 -","- Ba4 Te16 Tm8 -","4","0.5","","Narducci, A.A.; Yang, Y.-T.; Digman, M.A.; Sipes, A.B.; Ibers, J.A.","An investigation of the rare-earth telluride system Ba Ln2 Te4 (Ln = Sm - Tm, Y): syntheses, crystal structures and magnetic properties","Journal of Alloys Compd.","2000","303","","432","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521690","20.00449","","19.9229","","13.3929","","90","","90","","90","","5337.71","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs5.32 (Al5.8 Si90.2 O192)","","- Al5.8 Cs5.32 O192 Si90.2 -","- Al5.8008 Cs5.316 O192 Si90.1992 -","- Al5.8008 Cs5.316 O192 Si90.1992 -","1","0.125","","Olson, D.H.; Khosrovani, N.; Toby, B.H.; Peters, A.W.","Crystal structure of dehydrated Cs ZSM-5 (5.8 Al): evidence for nonrandom aluminium distribution","J. Phys. Chem. B","2000","104","","4844","4848","","","","","","","","","","","","","","","","","","","","","","has coordinates","141903","2020-10-21","18:00:00",""
"1521695","14.301","","3.598","","5.204","","90","","90","","90","","267.772","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cd (V O3)","","- Cd O3 V -","- Cd O3 V -","- Cd4 O12 V4 -","4","0.5","","Onoda, M.; Nishiguchi, N.","S=1/2 zigzag-chain structure and ferromagnetism of Cd V O3","Journal of Physics: Condensed Matter","1999","11","","749","757","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521734","7.013","","4.271","","7.402","","90","","90","","90","","221.709","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tb Pt Si","","- Pt Si Tb -","- Pt Si Tb -","- Pt4 Si4 Tb4 -","4","0.5","","Penc, B.; Slaski, M.; Baran, S.; Leciejewicz, J.; Hofmann, M.; Szytula, A.","Magnetic ordering in R Pt X (R = Gd, Tb, Dy; X = Si, Ge) compounds","Journal of Alloys Compd.","2000","299","","79","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521735","6.948","","4.251","","7.419","","90","","90","","90","","219.127","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Dy Pt Si -","- Dy Pt Si -","- Dy4 Pt4 Si4 -","4","0.5","","Penc, B.; Szytula, A.; Baran, S.; Hofmann, M.; Slaski, M.; Leciejewicz, J.","Magnetic ordering in R Pt X (R = Gd, Tb, Dy; X = Si, Ge) compounds","Journal of Alloys Compd.","2000","299","","79","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521736","6.978","","4.325","","7.546","","90","","90","","90","","227.737","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tb Pt Ge","","- Ge Pt Tb -","- Ge Pt Tb -","- Ge4 Pt4 Tb4 -","4","0.5","","Penc, B.; Baran, S.; Hofmann, M.; Leciejewicz, J.; Slaski, M.; Szytula, A.","Magnetic ordering in R Pt X (R = Gd, Tb, Dy; X = Si, Ge) compounds","Journal of Alloys Compd.","2000","299","","79","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521737","6.998","","4.359","","7.557","","90","","90","","90","","230.521","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dy Pt Ge","","- Dy Ge Pt -","- Dy Ge Pt -","- Dy4 Ge4 Pt4 -","4","0.5","","Penc, B.; Szytula, A.; Baran, S.; Hofmann, M.; Slaski, M.; Leciejewicz, J.","Magnetic ordering in R Pt X (R = Gd, Tb, Dy; X = Si, Ge) compounds","Journal of Alloys Compd.","2000","299","","79","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521754","7.3905","","4.088","","10.0209","","90","","90","","90","","302.755","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pb (O D) Br","","- Br D O Pb -","- Br D O Pb -","- Br4 D4 O4 Pb4 -","4","0.5","","Peter, S.; Parise, J.B.; Smith, R.I.; Lutz, H.D.","High-pressure neutron diffraction studies on laurionite-type Pb (O D) Br","Journal of Physics and Chemistry of Solids","1999","60","","1859","1863","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521760","5.485","","4.083","","18.369","","90","","90","","90","","411.378","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ga2 Pd5 -","- Ga2 Pd5 -","- Ga8 Pd20 -","4","0.5","","Khalaff, K.; Schubert, K.","Kristallstruktur von Pd5 Ga2","Journal of the Less-Common Metals","1974","37","","129","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521771","5.529","","7.695","","5.369","","90","","90","","90","","228.428","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na (Ni F3)","","- F3 Na Ni -","- F3 Na Ni -","- F12 Na4 Ni4 -","4","0.5","","Pompa, F.; Siciliano, F.","Distorsioni cristallografiche nelle strutture A B F3. Nota II. Strutture cristallina dei fluoruri doppi di sodio-cobalto Na Co F3 e sodio-nichel Na Ni F3","Ricerca Scientifica","1969","39","","370","385","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521853","5.465","","7.694","","5.412","","90","","90","","90","","227.562","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na Mg D3","","- D3 Mg Na -","- D3 Mg Na -","- D12 Mg4 Na4 -","4","0.5","","Roennebro, E.; Noreus, D.; Kadir, K.; Reiser, A.; Bogdanovic, B.","Investigation of the perovskite related structures of Na Mg H3, Na Mg F3 and Na3 Al H6","Journal of Alloys Compd.","2000","299","","101","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521854","5.4897","","7.6682","","5.3617","","90","","90","","90","","225.707","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na Mg F3","","- F3 Mg Na -","- F3 Mg Na -","- F12 Mg4 Na4 -","4","0.5","","Roennebro, E.; Noreus, D.; Kadir, K.; Reiser, A.; Bogdanovic, B.","Investigation of the perovskite related structures of Na Mg H3, Na Mg F3 and Na3 Al H6","Journal of Alloys Compd.","2000","299","","101","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521878","7.5351","","4.3081","","7.3653","","90","","90","","90","","239.092","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ce Rh As","","- As Ce Rh -","- As Ce Rh -","- As4 Ce4 Rh4 -","4","0.5","","Salamakha, P.S.; Sologub, O.L.; Takabatake, T.; Suemitsu, T.","Crystal structure of ternary Ce Rh X compounds, X = As, Sb, Bi","Journal of Alloys Compd.","2000","313","","5","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521888","5.582","","7.845","","5.553","","90","","90","","90","","243.17","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La (Mn0.5 Rh0.5) O3","","- La Mn0.5 O3 Rh0.5 -","- La Mn0.5 O3 Rh0.5 -","- La4 Mn2 O12 Rh2 -","4","0.5","","Schinzer, C.","A new ferromagnetic perovskite: La Mn1/2 Rh1/2 O3","Journal of Physics and Chemistry of Solids","2000","61","","1543","1551","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521889","7.5323","","4.0967","","15.7276","","90","","90","","90","","485.316","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ce2 S3 -","- Ce2 S3 -","- Ce8 S12 -","4","0.5","","Schleid, T.; Lauxmann, P.","Roentgenstrukturanalysen an Einkristallen von Ce2 S3 im Aund C-Typ","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1053","1055","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521910","7.745","","6.61","","7.306","","90","","90","","90","","374.027","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cu In O (P O4)","","- Cu In O5 P -","- Cu In O5 P -","- Cu4 In4 O20 P4 -","4","0.5","","Schwunck, H.M.; Jung, W.; Moser, P.","Das Kupfer(II) - indium - oxidphosphat Cu In O P O4 mit alpha-(Fe2 O P O4)-Struktur, dargestellt durch die Oxidation einer Cu / In / P - Legierung in Sauerstoffstrom","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","407","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521930","7.0174","","18.008","","6.2663","","90","","90","","90","","791.868","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sm3 Cl (Si O4)2","","- Cl O8 Si2 Sm3 -","- Cl O8 Si2 Sm3 -","- Cl4 O32 Si8 Sm12 -","4","0.5","","Sieke, C.; Schleid, T.","Sm3 Cl (Si O4)2 : ein chlorarmes Chloridorthosilicat des Samariums","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","377","378","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521955","12.342","","8.932","","7.985","","90","","90","","90","","880.256","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ce5 Rh Ge2","","- Ce5 Ge2 Rh -","- Ce5 Ge2 Rh -","- Ce20 Ge8 Rh4 -","4","0.5","","Sologub, O.L.; Salamakha, P.S.; Godart, C.","Formation, crystal structure and magnetism of ternary compounds Ce5 M Ge2 (M = Co, Ni, Ru, Rh, Pd, Ir, Pt)","Journal of Alloys Compd.","2000","307","","31","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522002","5.4839","","7.7698","","5.5188","","90","","90","","90","","235.149","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La (Cr0.8 Mn0.2) O3","","- Cr0.8 La Mn0.2 O3 -","- Cr0.8 La Mn0.2 O3 -","- Cr3.2 La4 Mn0.8 O12 -","4","0.5","","Taguchi, H.; Matsu-ura, S.-I.; Nagao, M.; Kido, H.","Electrical properties of perovskite-type La (Cr1-x Mnx) O3+d","Physik (Berlin)","1999","270","","325","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522029","9.924","","8.954","","5.198","","90","","90","","90","","461.892","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","U F6","","- F6 U -","- F6 U -","- F24 U4 -","4","0.5","","Taylor, J.C.; Wilson, P.W.","The Structures of Fluorides X. Neutron Powder Diffraction Profile of U F6 at 193 K and 293 K","Journal of Solid State Chemistry","1975","14","","378","382","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522035","5.9618","","8.3506","","5.8734","","90","","90","","90","","292.405","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr Tb O3","","- O3 Sr Tb -","- O3 Sr Tb -","- O12 Sr4 Tb4 -","4","0.5","","Tezuka, K.; Itoh, M.; Haga, M.; Hinatsu, Y.","Crystal and magnetic structures of SrTbO~3~ and BaTbO~3~ by powder neutron diffraction","Materials Science Forum","1999","","","578","585","10.4028/www.scientific.net/MSF.315-317.578","","","","","","","","","","","","","","","","","","","","","has coordinates","182029","2020-10-21","18:00:00",""
"1522134","8.7695","","5.349","","9.1817","","90","","90","","90","","430.696","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K Zn (P O4)","","- K O4 P Zn -","- K O4 P Zn -","- K4 O16 P4 Zn4 -","4","0.5","","Wallez, G.; Lucas, F.; Souron, J.P.; Quarton, M.","Potassium-zinc monophosphate: an original polymorphic tridymite derivate","Materials Research Bulletin","1999","34","","1251","1261","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522141","13.9557","","6.1349","","6.3528","","90","","90","","90","","543.907","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Y Cu (O H)3 (S O4)","","- Cu H3 O7 S Y -","- Cu O7 S Y -","- Cu4 O28 S4 Y4 -","4","0.5","","Wang, X.-Q.; Liu, L.-M.; Jacobson, A.J.","Synthesis and structures of yttrium-transition metal sulfates Y M (O H)3 (S O4), M = Ni, Cu","Journal of Solid State Chemistry","1999","147","","641","646","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522179","6.625","","4.333","","7.536","","90","","90","","90","","216.329","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ni Sc Sn -","- Ni Sc Sn -","- Ni4 Sc4 Sn4 -","4","0.5","","Kotur, B.Ya.; Klyuchka, I.P.","New ternary stannides of scandium and cobalt(nickel,copper)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1989","25","","597","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522259","9.356","","7.224","","11.898","","90","","90","","90","","804.159","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 (Cu Cl4)","","- Cl4 Cs2 Cu -","- Cl4 Cs2 Cu -","- Cl16 Cs8 Cu4 -","4","0.5","","Xu, Y.; Carlson, S.; Soederberg, K.; Norrestam, R.","High-pressure studies of Cs2 Cu Cl4 and Cs2 Co Cl4 by X-ray diffraction methods","Journal of Solid State Chemistry","2000","153","","212","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522269","11.786","","4.5133","","14.71","","90","","90","","90","","782.48","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba (La Cu Te3)","","- Ba Cu La Te3 -","- Ba Cu La Te3 -","- Ba4 Cu4 La4 Te12 -","4","0.5","","Yang, Y.-T.; Ibers, J.A.","Synthesis and characterisation of a series of quaternary chalcogenides Ba Ln M Q3 (Ln = rare earth, M = coinage metal, Q = Se or Te)","Journal of Solid State Chemistry","1999","147","","366","371","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522277","6.549","","3.883","","7.506","","90","","90","","90","","190.876","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Hf Pt Si -","- Hf Pt Si -","- Hf4 Pt4 Si4 -","4","0.5","","Yashiro, S.; Nagata, Y.; Samata, H.; Abe, S.","Magnetism and transport properties of Hf M Si (M = Pt, Pd) and Hf Rh1-x Pdx Si","Journal of Alloys Compd.","2000","298","","51","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522279","6.57","","3.874","","7.565","","90","","90","","90","","192.546","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Hf Pd Si -","- Hf Pd Si -","- Hf4 Pd4 Si4 -","4","0.5","","Yashiro, S.; Nagata, Y.; Samata, H.; Abe, S.","Magnetism and transport properties of Hf M Si (M = Pt, Pd) and Hf Rh1-x Pdx Si","Journal of Alloys Compd.","2000","298","","51","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522281","6.411","","3.817","","7.356","","90","","90","","90","","180.007","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Nb Pt Si -","- Nb Pt Si -","- Nb4 Pt4 Si4 -","4","0.5","","Yashiro, S.; Kasahi, A.; Kasai, R.; Nagata, Y.; Samata, H.","New equiatomic silicides of M M' Si (M = Nb, Ta; M' = Pt, Rh) and superconductivity of Ta1-x Nbx Pt Si","Journal of Alloys Compd.","2000","309","","51","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522283","6.376","","3.743","","7.283","","90","","90","","90","","173.811","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Nb Rh Si -","- Nb Rh Si -","- Nb4 Rh4 Si4 -","4","0.5","","Yashiro, S.; Kasahi, A.; Samata, H.; Kasai, R.; Nagata, Y.","New equiatomic silicides of M M' Si (M = Nb, Ta; M' = Pt, Rh) and superconductivity of Ta1-x Nbx Pt Si","Journal of Alloys Compd.","2000","309","","51","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522285","6.366","","3.747","","7.298","","90","","90","","90","","174.082","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ta Rh Si","","- Rh Si Ta -","- Rh Si Ta -","- Rh4 Si4 Ta4 -","4","0.5","","Yashiro, S.; Kasai, R.; Kasahi, A.; Nagata, Y.; Samata, H.","New equiatomic silicides of M M' Si (M = Nb, Ta; M' = Pt, Rh) and superconductivity of Ta1-x Nbx Pt Si","Journal of Alloys Compd.","2000","309","","51","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522363","6.95","","9.68","","6.36","","90","","90","","90","","427.875","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd3 Ni -","- Gd3 Ni -","- Gd12 Ni4 -","4","0.5","","Lemaire, R.; Paccard, D.","Structures cristallographique de composes intermetalliques T3 Ni, T designant un metal de terres rares ou l'yttrium","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1967","90","","311","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522369","21.09","","4.22","","5.45","","90","","90","","90","","485.049","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ni Tb -","- Ni Tb -","- Ni12 Tb12 -","12","1.5","","Lemaire, R.; Paccard, D.","Polymorphisme du compose Ti Nb","Journal of the Less-Common Metals","1970","21","","403","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522442","9.9787","","4.58843","","6.89166","","90","","90","","90","","315.545","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Pd1.89 Sn U0.9 -","- Pd1.89 Sn U0.9 -","- Pd7.56 Sn4 U3.6 -","4","0.5","","Marezio, M.; Rossel, C.; Cox, D.E.; Maple, M.B.","The ab-initio crystal structure determination of U Pd2 Sn by synchrotron X-ray powder diffraction","Solid State Communications","1988","67","","831","835","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522451","16.83","","5.474","","13.77","","90","","90","","90","","1268.59","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ga4 V2 Zr3 -","- Ga4 V2 Zr3 -","- Ga32 V16 Zr24 -","8","1","","Markiv, V.Ya.; Belyavina, N.N.","The crystal structures of Hf Ga and Hf3 Cr2 Si4","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1986","1986","","44","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522454","8.051","","8.533","","10.607","","90","","90","","90","","728.692","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ga6 Mn2 Sc3 -","- Ga6 Mn2 Sc3 -","- Ga24 Mn8 Sc12 -","4","0.5","","Markiv, V.Ya.; Belyavina, N.N.","Crystal structure of the Sc3 Mn2 Ga6 and Sc3 Fe2 Ga6 compounds","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1987","1987","","55","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522504","7.478","","5.225","","9.549","","90","","90","","90","","373.104","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Pb Yb2 -","- Pb Yb2 -","- Pb4 Yb8 -","4","0.5","","McMasters, O.D.; Gschneidner, K.A.jr.","Ytterbium-lead system","Transactions of the Metallurgical Society of Aime","1967","239","","781","785","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522513","18.535","","4.463","","7.299","","90","","90","","90","","603.786","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Nd Rh2 Sn4 -","- Nd Rh2 Sn4 -","- Nd4 Rh8 Sn16 -","4","0.5","","Meot-Meyer, M.; Venturini, G.; Roques, B.; Malaman, B.","Magnetic ordering in Nd Rh2 Si2 and Er Rh2 Si2","Solid State Communications","1984","52","","395","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522652","16.346","","4.136","","6.053","","90","","90","","90","","409.226","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ga Th -","- Ga Th -","- Ga8 Th8 -","8","1","","Palenzona, A.; Fornasini, M.L.; Manfrinetti, P.","Contribution to the study of the Th-Ga system","Journal of the Less-Common Metals","1984","104","","15","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522792","7.325","","4.515","","7.725","","90","","90","","90","","255.484","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Nd Ni Sn -","- Nd Ni Sn -","- Nd4 Ni4 Sn4 -","4","0.5","","Rossi, D.; Marazza, R.; Ferro, R.","Ternary 1:1:1 alloys of nickel and palladium with tin and rare earths","Journal of the Less-Common Metals","1985","107","","99","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522793","7.135","","4.448","","7.675","","90","","90","","90","","243.577","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ni Sn Y -","- Ni Sn Y -","- Ni4 Sn4 Y4 -","4","0.5","","Rossi, D.; Marazza, R.; Ferro, R.","Ternary 1:1:1 alloys of Nickel and palladium with tin and rare earths","Journal of the Less-Common Metals","1985","107","","99","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522794","6.973","","4.414","","7.627","","90","","90","","90","","234.75","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ni Sn Yb -","- Ni Sn Yb -","- Ni4 Sn4 Yb4 -","4","0.5","","Rossi, D.; Marazza, R.; Ferro, R.","Ternary 1:1:1 alloys of Nickel and palladium with tin and rare earths","Journal of the Less-Common Metals","1985","107","","99","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522795","7.475","","4.68","","7.979","","90","","90","","90","","279.129","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Pd Pr Sn -","- Pd Pr Sn -","- Pd4 Pr4 Sn4 -","4","0.5","","Rossi, D.; Marazza, R.; Ferro, R.","Ternary 1:1:1 alloys of nickel and palladium with tin and rare earths","Journal of the Less-Common Metals","1985","107","","99","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522796","7.325","","4.636","","7.945","","90","","90","","90","","269.802","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Pd Sm Sn -","- Pd Sm Sn -","- Pd4 Sm4 Sn4 -","4","0.5","","Rossi, D.; Marazza, R.; Ferro, R.","Ternary 1:1:1 alloys of nickel and palladium with tin and rare earths","Journal of the Less-Common Metals","1985","107","","99","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522797","7.237","","4.48","","7.683","","90","","90","","90","","249.096","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd Ni Sn -","- Gd Ni Sn -","- Gd4 Ni4 Sn4 -","4","0.5","","Rossi, D.; Ferro, R.; Marazza, R.","The crystal structure of Dy Ni Sb, Dy Pt Sb and related compounds","Journal of the Less-Common Metals","1985","107","","99","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522798","7.254","","4.608","","7.925","","90","","90","","90","","264.904","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd Pd Sn -","- Gd Pd Sn -","- Gd4 Pd4 Sn4 -","4","0.5","","Rossi, D.; Ferro, R.; Marazza, R.","Ternary 1:1:1 alloys of nickel and palladium with tin and rare-earths","Journal of the Less-Common Metals","1985","107","","99","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522864","5.52","","4.221","","8.209","","90","","90","","90","","191.269","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Rh2 Sn -","- Rh2 Sn -","- Rh8 Sn4 -","4","0.5","","Schubert, K.; Lukas, H.L.; Meissner, H.G.; Bhan, S.","Zum Aufbau der System Co-Ga, Pd-Ga, Pd-Sn und verwandter Legierungen","Zeitschrift fuer Metallkunde","1959","50","","534","540","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522865","5.493","","4.064","","7.814","","90","","90","","90","","174.436","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ga Pd2 -","- Ga Pd2 -","- Ga4 Pd8 -","4","0.5","","Schubert, K.; Lukas, H.L.; Meissner, H.G.; Bhan, S.","Zum Aufbau der Systeme Co-Ga, Pd-Ga, Pd-Sn und verwandter Legierungen","Zeitschrift fuer Metallkunde","1959","50","","534","540","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523096","7.205","","4.471","","7.78","","90","","90","","90","","250.621","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Al Ce Pt -","- Al Ce Pt -","- Al4 Ce4 Pt4 -","4","0.5","","Xue, B.; Schwer, H.; Hulliger, F.","Crystal structure of cerium platinum aluminide, Ce Pt Al","Journal of Alloys Compd.","1994","204","","25","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523099","6.811","","4.275","","7.318","","90","","90","","90","","213.078","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ga Ho Ni -","- Ga Ho Ni -","- Ga4 Ho4 Ni4 -","4","0.5","","Yarmolyuk, Ya.P.; Gladyshevskii, E.I.; Grin', Yu.","The crystal structure of R Ga Ni compounds (R= Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Y)","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta Tekhnichni Nauki","1979","41","","772","775","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523118","11.293","","9.561","","6.001","","90","","90","","90","","647.942","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ga5 Tm3 -","- Ga5 Tm3 -","- Ga20 Tm12 -","4","0.5","","Yatsenko, S.P.; Gladyshevskii, E.I.; Chuntonov, K.A.; Yarmolyuk, Ya.P.; Grin', Yu.","Kristallstruktur von Tm3 Ga5 und analoger Verbindungen","Journal of the Less-Common Metals","1983","91","","21","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523220","6.017","","3.733","","7.048","","90","","90","","90","","158.308","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Mn Ni (Si0.3 Ge0.7)","","- Ge0.7 Mn Ni Si0.3 -","- Ge0.7 Mn Ni Si0.3 -","- Ge2.8 Mn4 Ni4 Si1.2 -","4","0.5","","Bazela, W.; Szytula, A.; Todorovic, J.; Zieba, A.","Crystal and magnetic structure of the Ni Mn Ge1-n Sin system","Physica Status Solidi, Sectio A: Applied Research","1981","64","","367","378","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523221","6.065","","3.798","","7.075","","90","","90","","90","","162.972","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Mn Ni (Si0.1 Ge0.9)","","- Ge0.9 Mn Ni Si0.1 -","- Ge0.9 Mn Ni Si0.1 -","- Ge3.6 Mn4 Ni4 Si0.4 -","4","0.5","","Bazela, W.; Szytula, A.; Zieba, A.; Todorovic, J.","Crystal and magnetic structure of the Ni Mn Ge1-n Sin system","Physica Status Solidi, Sectio A: Applied Research","1981","64","","367","378","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523222","6.061","","3.799","","7.075","","90","","90","","90","","162.907","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Mn Ni (Si0.05 Ge0.95)","","- Ge0.95 Mn Ni Si0.05 -","- Ge0.95 Mn Ni Si0.05 -","- Ge3.8 Mn4 Ni4 Si0.2 -","4","0.5","","Bazela, W.; Szytula, A.; Todorovic, J.; Zieba, A.","Crystal and magnetic structure of the Ni Mn Ge1-n Sin system","Physica Status Solidi, Sectio A: Applied Research","1981","64","","367","378","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523241","7.028","","4.751","","5.658","","90","","90","","90","","188.921","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Pd Pu -","- Pd Pu -","- Pd4 Pu4 -","4","0.5","","Beznosikova, A.V.; Smotritskaya, E.S.; Chebotarev, N.T.","Structure of the compound Pu Pd","Atomnaya Energiya","1968","25","","430","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523247","7.263","","14.48","","7.464","","90","","90","","90","","784.976","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Pu5 Rh4 -","- Pu5 Rh4 -","- Pu20 Rh16 -","4","0.5","","Beznosikova, A.V.; Chebotarev, N.T.; Timofeeva, L.F.; Luk'yanov, A.S.; Shapovalov, M.P.","The crystal structures of the compounds Pu5 Rh4 and Pu5 Ir4","Atomnaya Energiya","1976","40","","495","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523248","7.245","","14.6","","7.455","","90","","90","","90","","788.568","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ir4 Pu5 -","- Ir4 Pu5 -","- Ir16 Pu20 -","4","0.5","","Beznosikova, A.V.; Chebotarev, N.T.; Shapovalov, M.P.; Luk'yanov, A.S.; Timofeeva, L.F.","The crystal structure of the compounds Pu5 Rh4 and Pu5 Ir4","Atomnaya Energiya","1976","40","","495","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523283","6.38","","4.02","","6.93","","90","","90","","90","","177.738","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ni Sc Si -","- Ni Sc Si -","- Ni4 Sc4 Si4 -","4","0.5","","Bodak, O.I.; Gladyshevskii, E.I.; Kotur, B.Ya.","The system scandium-nickel-silicon","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta Tekhnichni Nauki","1976","38","","655","657","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523294","7.11","","5.21","","8.23","","90","","90","","90","","304.865","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ni3 Sn2 -","- Ni3 Sn2 -","- Ni12 Sn8 -","4","0.5","","Brand, P.","Ueber Umwandlungen in Phasen vom aufgefuellten Ni As (Ni2 In) Strukturtyp","Zeitschrift fuer Anorganische und Allgemeine Chemie","1967","353","","270","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523314","8.445","","5.391","","10.139","","90","","90","","90","","461.598","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Pb Sr2 -","- Pb Sr2 -","- Pb4 Sr8 -","4","0.5","","Bruzzone, G.; Franceschi, E.","On the occurrence of M2 X intermetallic compounds (M= Ca, Sr, Ba; X= Si, Ge, Sn, Pb)","Journal of the Less-Common Metals","1978","57","","201","208","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523372","7.994","","15.1","","8.241","","90","","90","","90","","994.766","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Pb4 Y5 -","- Pb4 Y5 -","- Pb16 Y20 -","4","0.5","","Carlson, O.N.; Schmidt, F.A.; Diesburg, D.E.","The yttrium-lead alloy system","Transactions of the American Society for Metals","1967","60","","119","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523377","7.013","","4.49","","5.564","","90","","90","","90","","175.201","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Pt Tb -","- Pt Tb -","- Pt4 Tb4 -","4","0.5","","Castets, A.; Gignoux, D.; Gomez-Sal, J.C.","Magnetic properties and structures of equiatomic rare earth-platinum compounds R Pt (R= Gd, Tb, Dy, Ho, Fr, Tm)","Journal of Solid State Chemistry","1980","31","","197","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523378","7.147","","4.772","","8.763","","90","","90","","90","","298.866","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Pt Tb2 -","- Pt Tb2 -","- Pt4 Tb8 -","4","0.5","","Castets, A.; Roudaut, E.; Gomez-Sal, J.C.; Gignoux, D.; Rodriguez-Gonzales, F.","Magnetic properties and structure of Tb2 Pt","Physica Status Solidi, Sectio A: Applied Research","1982","73","","475","481","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523402","6.69","","5.188","","9.714","","90","","90","","90","","337.151","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ga Pr2 -","- Ga Pr2 -","- Ga4 Pr8 -","4","0.5","","Cirafici, S.; Franceschi, E.","The praseodymium-gallium system from 0 to 50 at.% Ga","Journal of the Less-Common Metals","1979","66","","137","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523406","7.217","","5.27","","9.821","","90","","90","","90","","373.528","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Tl Yb2 -","- Tl Yb2 -","- Tl4 Yb8 -","4","0.5","","Cirafici, S.; Fornasini, M.L.","Crystal structures of Yb2 Tl, Yb8 Tl3 and Yb8 In3","Journal of the Less-Common Metals","1989","154","","79","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523434","6.219","","4.617","","8.799","","90","","90","","90","","252.647","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Hg Mg2 -","- Hg Mg2 -","- Hg4 Mg8 -","4","0.5","","Daams, J.L.C.; van Vucht, J.H.N.","Contribution to the system Mg-Au-Hg","Philips Journal of Research","1984","39","","275","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523525","8.18","","4.92","","8.75","","90","","90","","90","","352.149","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Mg Sn Sr -","- Mg Sn Sr -","- Mg4 Sn4 Sr4 -","4","0.5","","Eisenmann, B.; Schaefer, H.; Weiss, A.","Der Uebergamg von ""geordneten"" Anti-Pb Cl2-Gitter zum Anti-Pb F Cl-Gitter: Ternaere Phasen A B X der Erdalkalimetalle mit Elementen der 4. Hauptgruppe (A= Ca, Sr, Ba; B= Mg; X= Si, Ge, Sn, Pb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1972","391","","241","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523623","7.124","","5.197","","8.1562","","90","","90","","90","","301.97","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ni3 Sn2 -","- Ni2.97 Sn2 -","- Ni11.88 Sn8 -","4","0.5","","Fjellvag, H.; Kjekshus, A.","Structural properties of Co3 Sn2, Ni3 Sn2 and some ternary derivatives","Acta Chemica Scandinavica, Series A: (28,1974-)","1967","40","","23","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523624","5.2954","","3.1843","","5.9506","","90","","90","","90","","100.34","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Mn0.9 Mo0.1) P","","- Mn0.9 Mo0.1 P -","- Mn0.9 Mo0.1 P -","- Mn3.6 Mo0.4 P4 -","4","0.5","","Fjellvag, H.; Kjekshus, A.","Magnetic and structural properties of transition metal substituted Mn P. VI. Mn1-t Mot P and Mn1-t Wt P","Acta Chemica Scandinavica, Series A: (28,1974-)","1985","39","","199","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523626","7.0615","","5.153","","8.0903","","90","","90","","90","","294.389","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ni2.7 Sn2 -","- Ni2.67 Sn2 -","- Ni10.68 Sn8 -","4","0.5","","Fjellvag, H.; Kjekshus, A.","Structural properties of Co3 Sn2, Ni3 Sn2 and some ternary derivatives","Acta Chemica Scandinavica, Series A: (28,1974-)","1986","40","","23","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523631","8.448","","16.26","","8.604","","90","","90","","90","","1181.88","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- La5 Sn4 -","- La5 Sn4 -","- La20 Sn16 -","4","0.5","","Fornasini, M.L.; Merlo, F.","Composti di formula M5 Sn4 e M11 Sn10 formati dalle terre rare con lo stagno","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 8 (1, 1946-)","1971","50","","186","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523632","7.929","","24.326","","7.1","","90","","90","","90","","1369.45","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Pt3 Sr7 -","- Pt3 Sr7 -","- Pt12 Sr28 -","4","0.5","","Fornasini, M.L.; Palenzona, A.","Sr7 Pt3: an orthorhombic structure formed by Pt-centered trigonal prisms","Journal of Solid State Chemistry","1983","47","","30","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523634","7.126","","4.439","","7.674","","90","","90","","90","","242.746","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ni Sn Y -","- Ni Sn Y -","- Ni4 Sn4 Y4 -","4","0.5","","Francois, M.; Venturini, G.; Malaman, B.; Steinmetz, J.; Roques, B.","Determination de la structure cristalline du stannure Y Ni Sn, isotype tres deformee de Ti Ni Si","Journal of the Less-Common Metals","1985","108","","45","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523698","7.11","","4.15","","5.49","","90","","90","","90","","161.991","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ni2 (Tb Y)","","- Ni2 Tb Y -","- Ni2 Tb Y -","- Ni4 Tb2 Y2 -","2","0.25","","Gignoux, D.; Paccard, D.; Rossat-Mignod, J.; Tcheou, F.","Importance of the crystal field on the magnetic moment orientation in the equiatomic R Ni compounds (R= Tb to Tm)","Proc. Rare Earth Res. Conf.","1973","2","","596","604","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523699","6.96","","4.11","","5.4","","90","","90","","90","","154.47","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ni Tm -","- Ni Tm -","- Ni4 Tm4 -","4","0.5","","Gignoux, D.; Rossat-Mignod, J.; Tcheou, F.","Magnetic structure of the Tm Ni compound crystal field effect","Physica Status Solidi, Sectio A: Applied Research","1972","14","","483","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523700","6.89","","9.58","","6.32","","90","","90","","90","","417.159","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ni Tb3 -","- Ni Tb3 -","- Ni4 Tb12 -","4","0.5","","Gignoux, D.; Gomez-Sal, J.C.; Paccard, D.","Magnetic properties of a Tb3 Ni single crystal","Solid State Communications","1982","44","","695","700","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523805","5.825","","7.024","","4.851","","90","","90","","90","","198.478","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Tl F3","","- F3 Tl -","- F3 Tl -","- F12 Tl4 -","4","0.5","","Hebecker, C.","Die Kristallstruktur von Thalliumtrifluorid","Zeitschrift fuer Anorganische und Allgemeine Chemie","1972","393","","223","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523829","14.83","","12.43","","12.51","","90","","90","","90","","2306.05","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Al2.91 Mn1.09","","- Al2.98462 Mn1.01538 -","- Al2.98462 Mn1.01538 -","- Al116.4 Mn39.6 -","39","4.875","","Hiraga, K.; Matsuo, Y.; Kaneko, M.; Hashimoto, S.","The structure of Al3 Mn: close relationship to decagonal quasicrystals","Philosophical Magazine, Part B","1993","68","","193","205","","","","","","","","","","","","","","","","","","","","","","has coordinates","144452","2020-10-21","18:00:00",""
"1523928","6.805","","4.416","","5.492","","90","","90","","90","","165.039","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Pt Yb -","- Pt Yb -","- Pt4 Yb4 -","4","0.5","","Johnson, Q.; Bedford, R.G.; Catalano, E.","The crystal structure of Yb Pt","Journal of the Less-Common Metals","1971","24","","335","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523940","6.63","","4.41","","5.38","","90","","90","","90","","157.302","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Rh Zr -","- Rh Zr -","- Rh4 Zr4 -","4","0.5","","Jorda, J.L.; Graf, T.; Muller, J.; Schellenberg, L.; Hertz, J.; Cenzual, K.; Gachon, J.C.","Phase relations, thermochemistry and superconductivity in the Zr-Rh system","Journal of the Less-Common Metals","1988","136","","313","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523975","10.235","","7.946","","13.977","","90","","90","","90","","1136.71","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 (Cd Br4)","","- Br4 Cd Cs2 -","- Br4 Cd Cs2 -","- Br16 Cd4 Cs8 -","4","0.5","","Altermatt, D.; Arend, H.; Petter, W.; Niggli, A.","New tetrahedrally coordinated A2 Cd Br4 compounds (A = Cs, (C H3), (N H3))","Materials Research Bulletin","1979","14","","1391","1396","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523979","8.687","","10.006","","12.687","","90","","90","","90","","1102.78","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)3 (Fe Cl4) Cl","","- Cl5 Fe H12 N3 -","- Cl5 Fe H12 N3 -","- Cl20 Fe4 H48 N12 -","4","0.5","","Amit, M.; Ron, E.; Horowitz, A.; Makovsky, J.","Preparation and crystal structures of some compounds of the A3 B X5 type (A= Cs, Tl, N H4, B= Mn, Fe, Co, X= Cl, Br)","Israel Journal of Chemistry","1973","11","","749","763","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1523980","8.714","","9.914","","12.669","","90","","90","","90","","1094.48","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)3 Co Cl5","","- Cl5 Co H12 N3 -","- Cl5 Co H12 N3 -","- Cl20 Co4 H48 N12 -","4","0.5","","Amit, M.; Horowitz, A.; Ron, E.; Makovsky, J.","Preparation and crystal structures of some compounds of the A3 B X5 type (A= Cs, Tl, NH4, B= Mn, Fe, Co, X= Cl, Br)","Israel Journal of Chemistry","1973","11","","749","763","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1523981","8.712","","3.845","","14.15","","90","","90","","90","","473.992","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","K Fe Cl3","Javorieite","- Cl3 Fe K -","- Cl3 Fe K -","- Cl12 Fe4 K4 -","4","0.5","","Amit, M.; Makovsky, J.; Horowitz, A.","Preparation and crystal structure of K Fe Cl3 and K Fe Br3","Israel Journal of Chemistry","1974","12","","827","830","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:46",""
"1523995","8.09","","5.085","","10.144","","90","","90","","90","","417.3","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Cu6 Pr -","- Cu6 Pr -","- Cu24 Pr4 -","4","0.5","","Asano, H.; Watanabe, N.; Onuki, Y.; Komatsubara, T.; Umino, M.; Izumi, F.","Neutron diffraction study on the low-temperature monoclinic form of Pr Cu6","Journal of the Physical Society of Japan","1987","56","","2245","2247","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524063","7.758","","8.503","","10.2","","90","","90","","90","","672.856","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Co4 Ga4) Zr3","","- Co4 Ga4 Zr3 -","- Co4 Ga4 Zr3 -","- Co16 Ga16 Zr12 -","4","0.5","","Belyavina, N.N.; Markiv, V.Ya.","Crystal structure of the Sc Co1.2 Ga1.8 compound, its analogues and a new representative of the Cs3Mn2Ga6 structure type","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta Tekhnichni Nauki","1989","51","","76","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","144723","2020-10-21","18:00:00",""
"1524091","5.6137","","7.6259","","5.3032","","90","","90","","90","","227.027","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ho V O3","","- Ho O3 V -","- Ho O3 V -","- Ho4 O12 V4 -","4","0.5","","Bombik, A.; Lesniewska, B.; Oles, A.","Atomic and magnetic structure of Ho V O3","Physica Status Solidi, Sectio A: Applied Research","1978","50","","17","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524134","6.92","","9.293","","6.213","","90","","90","","90","","399.543","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Co Ho3 -","- Co Ho3 -","- Co4 Ho12 -","4","0.5","","Buschow, K.H.J.; van der Goot, A.S.","The crystal structure of rare-earth cobalt compounds of the type R3 Co","Journal of the Less-Common Metals","1969","18","","309","311","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524139","8.06","","5.034","","10.049","","90","","90","","90","","407.729","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Cu6 Sm -","- Cu6 Sm -","- Cu24 Sm4 -","4","0.5","","Buschow, K.H.J.; van der Goot, A.S.","The crystal structure of some copper compounds of the type R Cu6","Journal of the Less-Common Metals","1970","20","","309","313","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524176","5.484","","6.342","","14.034","","90","","90","","90","","488.096","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs V O F4","","- Cs F4 O V -","- Cs F4 O V -","- Cs4 F16 O4 V4 -","4","0.5","","Bushnell, G.W.; Moss, K.C.","The crystal structure of cesium oxotetrafluorovanadate(V)","Canadian Journal of Chemistry","1972","50","","3700","3705","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524206","8.87","","5.54","","7.15","","90","","90","","90","","351.35","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ba S O4","","- Ba O2 S -","- Ba O2 S -","- Ba4 O8 S4 -","4","0.5","","Chia, H.C.; Yu, F.C.; Chin, C.S.","Determination of Oxygen Position in the Structure of Barite by Means of Single-Crystal Neutron Diffraction","Scientia Sinica","1965","14","","1541","1544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524227","7.474","","4.464","","8.529","","90","","90","","90","","284.561","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu In Pd -","- Eu In Pd -","- Eu4 In4 Pd4 -","4","0.5","","Cirafici, S.; Palenzona, A.; Canepa, F.","Thermodynamic and physical properties of mixed-valence Yb Pd In and of M Pd In intermetallic compounds (M= Ca, Sr, Er, Eu)","Journal of the Less-Common Metals","1985","107","","179","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524250","10.322","","6.013","","4.708","","90","","90","","90","","292.208","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Li0.91 (Fe0.79 Mn0.21) (P O4)","","- Fe0.79 Li0.91 Mn0.21 O4 P -","- Fe0.79 Li0.91 Mn0.21 O4 P -","- Fe3.16 Li3.64 Mn0.84 O16 P4 -","4","0.5","","Deganello, S.","The crystal structure of triphylite after oxidation at 670 C","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","1978","1978","","128","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524303","5.415","","3.348","","12.162","","90","","90","","90","","220.49","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ni Nb P2","","- Nb Ni P2 -","- Nb Ni P2 -","- Nb4 Ni4 P8 -","4","0.5","","El Ghadraoui, E.H.; Potel, M.; Guerin, R.; Sergent, M.","Nouveau phosphure ternaire Ni Nb P2 a liaison nickel-nickel et nickel-niobium et compose isotype Ni Ta P2","Materials Research Bulletin","1981","16","","933","941","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524334","13.36","","10.46","","6.741","","90","","90","","90","","942.025","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Rh (N H3)5 Cl) Cl2","","- Cl3 H15 N5 Rh -","- Cl3 H15 N5 Rh -","- Cl12 H60 N20 Rh4 -","4","0.5","","Evans, R.S.; Hopcus, E.A.; Bordner, J.; Schreiner, A.F.","Molecular and crystal structures of halopentaamminerhodium(III)complexes, (Rh (N H3)5 Cl) Cl2 and (Rh (N H3)5 Br) Br2","Journal of Crystal and Molecular Structure","1973","3","","235","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524335","13.8","","10.83","","6.974","","90","","90","","90","","1042.29","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Rh (N H3)5 Br) Br2","","- Br3 H15 N5 Rh -","- Br3 H15 N5 Rh -","- Br12 H60 N20 Rh4 -","4","0.5","","Evans, R.S.; Hopcus, E.A.; Bordner, J.; Schreiner, A.F.","Molecular and crystal structures of halopentaamminerhodium(III)complexes, (Rh (N H3)5 Cl) Cl2 and (Rh (N H3)5 Br) Br2","Journal of Crystal and Molecular Structure","1973","3","","235","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524364","5.2675","","3.1552","","5.9344","","90","","90","","90","","98.63","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Cr0.2 Mn0.8) P","","- Cr0.2 Mn0.8 P -","- Cr0.2 Mn0.8 P -","- Cr0.8 Mn3.2 P4 -","4","0.5","","Fjellvag, H.; Kjekshus, A.; Andresen, A.F.","Magnetic and structural properties of transition metal substituted Mn P. V. Mn1-t Crt P (0.00< t < 0.40)","Acta Chemica Scandinavica, Series A: (28,1974-)","1985","39","","143","151","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524366","7.085","","5.216","","8.194","","90","","90","","90","","302.812","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Co2.85 Sn2 -","- Co2.85 Sn2 -","- Co11.4 Sn8 -","4","0.5","","Fjellvag, H.; Kjekshus, A.","Structural properties Co3 Sn2, Ni3 Sn2 and some ternary derivatives","Acta Chemica Scandinavica, Series A: (28,1974-)","1986","40","","23","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524403","8.21","","13.5","","6.48","","90","","90","","90","","718.211","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)2 Te S3","","- H8 N2 S3 Te -","- H8 N2 S3 Te -","- H32 N8 S12 Te4 -","4","0.5","","Gerl, H.; Eisenmann, B.; Roth, P.; Schaefer, H.","Zur Darstellung und Kristallstruktur der Thiotellurite Ba Te S3 (H2 O)2 und (N H4)2 Te S3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1974","407","","135","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1524409","6.99","","4.12","","5.41","","90","","90","","90","","155.802","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Er Ni -","- Er Ni -","- Er4 Ni4 -","4","0.5","","Gignoux, D.; Paccard, D.; Rossat-Mignod, J.; Tscheou, F.","Importance of the crystgal field on the magnetic moment orientation in the equiatomic rare earth-nickel R Ni compounds (R=Tb to Tm)","Rare Earths in Modern Science and Technology, (Rare Earth Res. Conf.)","1973","2","","596","604","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524412","7.037","","4.705","","8.668","","90","","90","","90","","286.99","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Er2 Pt -","- Er2 Pt -","- Er8 Pt4 -","4","0.5","","Gignoux, D.; Fernandes, J.R.; Gomez-Sal, J.C.","Magnetic structure of the Er2 Pt antiferromagnet","Physica Status Solidi, Sectio A: Applied Research","1984","86","","295","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524413","7.03","","4.17","","5.44","","90","","90","","90","","159.474","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Dy Ni -","- Dy Ni -","- Dy4 Ni4 -","4","0.5","","Gignoux, D.; Shah, J.S.","Magnetic structure of the compound Dy Ni","Solid State Communications","1972","11","","1709","1711","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524477","8.715","","3.845","","14.15","","90","","90","","90","","474.155","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","K Fe Cl3","Javorieite","- Cl3 Fe K -","- Cl3 Fe K -","- Cl12 Fe4 K4 -","4","0.5","","Gurewitz, E.; Makovsky, J.; Shaked, H.","Neutron diffraction study of the magnetic structure of K Fe Cl3","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1974","9","","1071","1076","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:51",""
"1524507","9.8899","","13.0364","","4.4231","","90","","90","","90","","570.264","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Se (S C N)2","","- C2 N2 S2 Se -","- C2 N2 S2 Se -","- C8 N8 S8 Se4 -","4","0.5","","Hauge, S.","Refinements of the crystal structures of selenium dithiocyanate and selenium diselenocyanate","Acta Chemica Scandinavica, Series A: (28,1974-)","1979","33","","313","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524508","10.1397","","13.4514","","4.5139","","90","","90","","90","","615.665","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Se (Se C N)2","","- C2 N2 Se3 -","- C2 N2 Se3 -","- C8 N8 Se12 -","4","0.5","","Hauge, S.","Refinements of the crystal structures of selenium dithiocyanate and selenium diselenocyanate","Acta Chemica Scandinavica, Series A: (28,1974-)","1979","33","","313","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","145285","2020-10-21","18:00:00",""
"1524557","10.828","","6.251","","5.14","","90","","90","","90","","347.905","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li14 Zn (Ge O4)4","","- Ge4 Li13.668 O16 Zn1.172 -","- Ge4 Li13.668 O16 Zn1.172 -","- Ge4 Li13.668 O16 Zn1.172 -","1","0.125","","Hong, H.Y.-P.","Crystal structure and ionic conductivity of Li14 Zn (Ge O4)4 and other new Li superionic conductors","Materials Research Bulletin","1978","13","","117","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","145346","2020-10-21","18:00:00",""
"1524558","20.64999","","7.779","","6.902","","90","","90","","90","","1108.71","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K5 Li2 Nd F10","","- F10 K5 Li2 Nd -","- F10 K5 Li2 Nd -","- F40 K20 Li8 Nd4 -","4","0.5","","Hong, H.Y.-P.; McCollum, B.C.","Crystal structure of K5 Nd Li2 F10","Materials Research Bulletin","1979","14","","137","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524586","7.568","","4.26","","5.771","","90","","90","","90","","186.055","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Cu Yb -","- Cu Yb -","- Cu4 Yb4 -","4","0.5","","Iandelli, A.; Palenzona, A.","The ytterbium-copper system","Journal of the Less-Common Metals","1971","25","","333","335","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524709","6.6333","","10.675","","10.677","","90","","90","","90","","756.043","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na3 (Fe2 S4)","","- Fe2 Na3 S4 -","- Fe2 Na3 S4 -","- Fe8 Na12 S16 -","4","0.5","","Klepp, K.O.; Boller, H.","Na3 Fe2 S4: ein Thioferrat mit gemischt valenter (Fe S2)-Kette","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1981","112","","83","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","145522","2020-10-21","18:00:00",""
"1524715","14.784","","6.129","","12.35","","90","","90","","90","","1119.05","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ba Te O3","","- Ba O3 Te -","- Ba O3 Te -","- Ba12 O36 Te12 -","12","1.5","","Kocak, M.; Platte, C.; Troemel, M.","Ueber verschiedene Formen von Ba Te O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1979","453","","93","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524744","11.686","","3.8528","","13.763","","90","","90","","90","","619.663","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pb In2 S4","","- In2 Pb S4 -","- In2 Pb S4 -","- In8 Pb4 S16 -","4","0.5","","Kraemer, V.; Berroth, K.","Phase investigations in the system Pb S - In2 S3 and the crystal structures of Pb In2 S4 and Pb6 In10 S21","Materials Research Bulletin","1980","15","","299","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524856","8.081","","8.425","","10.457","","90","","90","","90","","711.938","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Fe2 Ga6 Sc3 -","- Fe2 Ga6 Sc3 -","- Fe8 Ga24 Sc12 -","4","0.5","","Markiv, V.Ya.; Belyavina, N.N.","Crystal structure of the Sc3 Mn2 Ga6 and Sc3 Fe2 Ga6 compounds","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1987","1987","","55","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524864","9.901","","8.409","","8.934","","90","","90","","90","","743.823","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Fe Ga2 Hf -","- Fe Ga2 Hf -","- Fe12 Ga24 Hf12 -","12","1.5","","Markiv, V.Ya.; Bhan, S.; Belyavina, N.N.","Crystal structure of Hf Fe Ga2","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta Tekhnichni Nauki","1987","49","","70","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524911","7.87","","5.4","","10.03","","90","","90","","90","","426.255","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Eu2 Pb -","- Eu2 Pb -","- Eu8 Pb4 -","4","0.5","","McMasters, O.D.; Gschneidner, K.A.jr.","The europium-lead system","Journal of the Less-Common Metals","1967","13","","193","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524923","8.164","","5.187","","10.231","","90","","90","","90","","433.249","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Cu6 La -","- Cu6 La -","- Cu24 La4 -","4","0.5","","Meyer-Liautaud, F.; Moreau, J.M.; Allibert, C.","New phases in the system La-Cu","Journal of the Less-Common Metals","1985","110","","81","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525130","7.075","","9.235","","6.218","","90","","90","","90","","406.269","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Er3 Rh -","- Er3 Rh -","- Er12 Rh4 -","4","0.5","","Raman, A.","Crystal structures of some Ln3 Rh, Ln7 Rh3 and Ln Rh3 phases","Journal of the Less-Common Metals","1972","26","","199","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525134","7.434","","14.86","","7.604","","90","","90","","90","","840.008","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ce5 Rh4 -","- Ce5 Rh4 -","- Ce20 Rh16 -","4","0.5","","Raman, A.","Crystal structure of Ce5 Rh4 and analogous phases","Journal of the Less-Common Metals","1976","48","","111","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525177","7.035","","4.437","","7.641","","90","","90","","90","","238.508","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Er Ni Sn -","- Er Ni Sn -","- Er4 Ni4 Sn4 -","4","0.5","","Rossi, R.; Marazza, R.; Ferro, R.","Ternary 1:1:1 alloys of nickel and palladium with tin and rare earths","Journal of the Less-Common Metals","1985","107","","99","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525178","7.121","","4.456","","7.66","","90","","90","","90","","243.061","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Dy Ni Sn -","- Dy Ni Sn -","- Dy4 Ni4 Sn4 -","4","0.5","","Rossi, R.; Marazza, R.; Ferro, R.","Ternary 1:1:1 alloys of nickel and palladium with tin and rare earths","Journal of the Less-Common Metals","1985","107","","99","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525179","7.158","","4.591","","7.9","","90","","90","","90","","259.613","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Dy Pd Sn -","- Dy Pd Sn -","- Dy4 Pd4 Sn4 -","4","0.5","","Rossi, R.; Marazza, R.; Ferro, R.","Ternary 1:1:1 alloys of nickel and palladium with tin and rare earths","Journal of the Less-Common Metals","1985","107","","99","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525180","7.541","","4.705","","7.984","","90","","90","","90","","283.276","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ce Pd Sn -","- Ce Pd Sn -","- Ce4 Pd4 Sn4 -","4","0.5","","Rossi, D.; Marazza, R.; Ferro, R.","Ternary 1:1:1 alloys of nickel and palladium with tin and rare earths","Journal of the Less-Common Metals","1985","107","","99","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525211","8.1103","","5.0817","","10.1046","","90","","90","","90","","416.452","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Cu6 Th -","- Cu6 Th -","- Cu24 Th4 -","4","0.5","","Schiltz, R.J.; Stevens, E.R.jr.; Carlson, O.N.","The thorium-copper system","Journal of the Less-Common Metals","1971","25","","175","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525268","6.982","","4.433","","7.152","","90","","90","","90","","221.363","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Co Ga Gd -","- Co Ga Gd -","- Co4 Ga4 Gd4 -","4","0.5","","Sichevich, O.M.; Gladyshevskii, R.E.; Yarmolyuk, Ya.P.; Grin', Yu.","The crystal structure of R Ga Co (R= Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Y)","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1982","1982","","57","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525269","6.757","","4.598","","7.405","","90","","90","","90","","230.064","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Co Ga Pr -","- Co Ga Pr -","- Co4 Ga4 Pr4 -","4","0.5","","Sichevich, O.M.; Gladyshevskii, R.E.; Yarmolyuk, Ya.P.; Grin', Yu.","The crystal structure of R Ga Co (R= Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Y)","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1982","1982","","57","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525270","6.868","","4.493","","7.253","","90","","90","","90","","223.813","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Co Ga Sm -","- Co Ga Sm -","- Co4 Ga4 Sm4 -","4","0.5","","Sichevich, O.M.; Gladyshevskii, R.E.; Grin', Yu.; Yarmolyuk, Ya.P.","The crystal structure of R Ga Co (R= Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Y)","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1982","1982","","57","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525271","6.973","","4.35","","6.98","","90","","90","","90","","211.721","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Co Er Ga -","- Co Er Ga -","- Co4 Er4 Ga4 -","4","0.5","","Sichevich, O.M.; Gladyshevskii, R.E.; Grin', Yu.; Yarmolyuk, Ya.P.","The crystal structure of R Ga Co (R= Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Y)","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1982","1982","","60","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525304","7.523","","4.592","","7.561","","90","","90","","90","","261.199","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ce Ni Sn -","- Ce Ni Sn -","- Ce4 Ni4 Sn4 -","4","0.5","","Skolozdra, R.V.; Gorelenko, Yu.K.; Koretskaya, O.E.","Crystal structure and magnetic susceptibility of the compounds R Ni Sn (R= rare earth metals)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1984","20","","604","607","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525329","8.571","","5.383","","10.385","","90","","90","","90","","479.14","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Cs2 S -","- Cs2 S -","- Cs8 S4 -","4","0.5","","Sommer, H.; Hoppe, R.","Die Kristallstruktur von Cs2 S mit einer Bemerkung ueber Cs2 Se, Cs2 Te, Rb2 Se und Rb2 Te","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","429","","118","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525343","9.966","","11.624","","14.698","","90","","90","","90","","1702.69","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs3 Co I5","","- Co Cs3 I5 -","- Co Cs3 I5 -","- Co4 Cs12 I20 -","4","0.5","","Staeudel, L.; Seifert, H.J.","Zur Existenz einer Verbindung Cs3 Co I5 und ihrer Kristallstruktur (1)","Journal of Solid State Chemistry","1978","26","","397","399","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525352","7.05","","9.54","","6.32","","90","","90","","90","","425.064","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Co Gd3 -","- Co Gd3 -","- Co4 Gd12 -","4","0.5","","Strydom, O.A.W.; Alberts, L.","The structure of Gd3 Co","Journal of the Less-Common Metals","1970","22","","511","515","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525432","6.91","","3.146","","16.504","","90","","90","","90","","358.778","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pd10.66 Mn5.33 Ge8","","- Ge8 Mn5.33 Pd10.66 -","- Ge8 Mn5.32 Pd10.68 -","- Ge8 Mn5.32 Pd10.68 -","1","0.125","","Venturini, G.; Malaman, B.; Roques, B.; Steinmetz, J.","Etude d'un nouveau germaniure ternaire: Pd12 Mn4 Ge8, de structure apparentee aux types Fe2 P, Co2 P et Fe2 As","Materials Research Bulletin","1981","16","","715","722","","","","","","","","","","","","","","","","","","","","","","has coordinates","146391","2020-10-21","18:00:00",""
"1525552","15.79","","11.488","","7.939","","90","","90","","90","","1440.1","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Cr (N O) (N H3)5) (Cl O4)2","","- Cl2 Cr H15 N6 O9 -","- Cl2 Cr H15 N6 O9 -","- Cl8 Cr4 H60 N24 O36 -","4","0.5","","Akashi, H.","X-ray structure determination of (Cr (N O) (N H3)5) (Cl O4)2","Bull. Res. Inst. Nat. Sci. Okayama Univ. of Sci.","2000","26","","111","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525576","9.8142","","5.7893","","4.782","","90","","90","","90","","271.701","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Fe (P O4)","","- Fe O4 P -","- Fe O4 P -","- Fe4 O16 P4 -","4","0.5","","Andersson, A.S.; Kalska, B.; Haeggstroem, L.; Thomas, J.O.","Lithium extraction/insertion in Li Fe P O4: an X-ray diffraction and Mossbauer spectroscopy study","Solid State Ionics","2000","130","","41","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525607","5.44805","","7.67918","","5.43869","","90","","90","","90","","227.536","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(La0.25 Pr0.75)0.7 Ca0.3 (Mn O3)","","- Ca0.3 La0.175 Mn O3 Pr0.525 -","- Ca0.3 La0.175 Mn O3 Pr0.525 -","- Ca1.2 La0.7 Mn4 O12 Pr2.1 -","4","0.5","","Balagurov, A.M.; Pomjakushin, V.Yu.; Sheptyakov, D.V.; Aksenov, V.L.; Belova, L.M.; Babushkina, N.A.; Kaul, A.R.; Gorbenko, O.Yu.","Evolution of (La1-y Pry)0.7 Ca0.3 Mn O3 crystal structure with A-cation size, temperature, and oxygen isotope substitution","The European Physical Journal B","2001","19","","215","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525630","9.126","","8.157","","15.256","","90","","90","","90","","1135.67","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Sr (N H4) (P3 O9) (H2 O)3","","- H10 N O12 P3 Sr -","- H10 N O12 P3 Sr -","- H40 N4 O48 P12 Sr4 -","4","0.5","","Belaaouad, S.; Sbai, K.; Jouini, A.","Chemical preparation, thermal behavior and crystal structure of a new cyclotriphosphate: Sr N H4 P3 O9 * 3(H2 O)","Solid State Sciences","2000","2","","655","661","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1525700","5.4759","","7.6968","","5.4031","","90","","90","","90","","227.724","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na Mg (H1.832 F1.168)","","- F1.168 H1.832 Mg Na -","- F1.168 H1.832 Mg Na -","- F4.672 H7.328 Mg4 Na4 -","4","0.5","","Bouamrane, A.; Laval, J.P.; Soulie, J.P.; Bastide, J.P.","Structural characterization of Na Mg H2 F and Na Mg H3","Materials Research Bulletin","2000","35","","545","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525701","5.4634","","7.703","","5.4108","","90","","90","","90","","227.711","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na Mg H3","","- H3 Mg Na -","- H3 Mg Na -","- H12 Mg4 Na4 -","4","0.5","","Bouamrane, A.; Laval, J.P.; Soulie, J.P.; Bastide, J.P.","Structural characterization of Na Mg H2 F and Na Mg H3","Materials Research Bulletin","2000","35","","545","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525763","14.597","","11.036","","5.663","","90","","90","","90","","912.267","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Np (S O4)2 (H2 O)4","","- H8 Np O12 S2 -","- Np O12 S2 -","- Np4 O48 S8 -","4","0.5","","Charushnikova, I.A.; Krot, N.N.; Starikova, Z.A.","Crystal and molecular structure of Np(IV) sulfate","Radiokhimiya","2000","42","","393","396","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525768","8.22","","17.136","","9.14","","90","","90","","90","","1287.44","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na2 Ba3 Sb4","","- Ba3 Na2 Sb4 -","- Ba3 Na2 Sb4 -","- Ba12 Na8 Sb16 -","4","0.5","","Chi, L.; Corbett, J.D.","Two ternary phases containing Sb2(4-) ions: Na2 M3 Sb4, M = Sr,Ba. Synthesis, structure and properties","Journal of Solid State Chemistry","2001","162","","327","332","","","","","","","","","","","","","","","","","","","","","","has coordinates","146819","2020-10-21","18:00:00",""
"1525924","20.10139","","19.90489","","13.3991","","90","","90","","90","","5361.19","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Ti2.48 Si93.52) O192","","- O192 Si93.52 Ti2.48 -","- O192 Si93.52 Ti2.48 -","- O192 Si93.52 Ti2.48 -","1","0.125","","Marra, G.L.; Artioli, G.; Fitch, A.N.; Milanesio, M.; Lamberti, C.","Orthorhombic to monoclinic phase transition in high-Ti-loaded TS-1:an attempt to locate Ti in the MFI framework by low temperature XRD","Microporous and Mesoporous Materials","2000","40","","85","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","147004","2020-10-21","18:00:00",""
"1525936","5.3051","","7.4734","","5.2793","","90","","90","","90","","209.309","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Sm0.1 Ca0.9) (Mn O3)","","- Ca0.9 Mn O3 Sm0.1 -","- Ca0.9 Mn O3 Sm0.1 -","- Ca3.6 Mn4 O12 Sm0.4 -","4","0.5","","Martin, C.; Andre, G.; Maignan, A.; Hervieu, M.; Raveau, B.; Savosta, M.M.; Jirak, Z.; Trounov, V.; Kurbakov, A.; Bouree, F.","Structural study of the electron-doped manganites Sm0.1 Ca0.9 Mn O3 and Pr0.1 Sr0.9 Mn O3","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2000","62","","6442","6449","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525963","7.2548","","6.4471","","7.457","","90","","90","","90","","348.782","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Co Fe (P O4) O","","- Co Fe O5 P -","- Co Fe O5 P -","- Co4 Fe4 O20 P4 -","4","0.5","","El Khayati, N.; Cherkaoui El Moursli, R.; Rodriguez-Carvajal, J.; Roisnel, T.; Blanchard, N.; Bouree, F.; Andre, G.; Collin, G.","Crystal and magnetic structures of the oxyphosphates M Fe P O5 (M = Fe, Co, Ni, Cu). Analysis of the magnetic ground state in terms of superexchange interactions","The European Physical Journal B","2001","22","","429","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525965","7.1882","","6.3924","","7.4847","","90","","90","","90","","343.921","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ni Fe (P O4) O","","- Fe Ni O5 P -","- Fe Ni O5 P -","- Fe4 Ni4 O20 P4 -","4","0.5","","El Khayati, N.; Cherkaoui El Moursli, R.; Rodriguez-Carvajal, J.; Andre, G.; Blanchard, N.; Roisnel, T.; Collin, G.; Bouree, F.","Crystal and magnetic structures of the oxyphosphates M Fe P O5 (M =Fe, Co, Ni, Cu). Analysis of the magnetic ground state in terms ofsuperexchange interactions","The European Physical Journal B","2001","22","","429","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525967","7.5152","","6.3948","","7.1716","","90","","90","","90","","344.654","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cu Fe (P O4) O","","- Cu Fe O5 P -","- Cu Fe O5 P -","- Cu4 Fe4 O20 P4 -","4","0.5","","El Khayati, N.; Cherkaoui El Moursli, R.; Rodriguez-Carvajal, J.; Andre, G.; Roisnel, T.; Bouree, F.; Blanchard, N.; Collin, G.","Crystal and magnetic structures of the oxyphosphates M Fe P O5 (M = Fe, Co, Ni, Cu). Analysis of the magnetic ground state in terms ofsuperexchange interactions","The European Physical Journal B","2001","22","","429","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525994","5.281","","7.463","","5.271","","90","","90","","90","","207.741","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca (Mn O2.95)","","- Ca Mn O2.95 -","- Ca Mn O2.9499 -","- Ca4 Mn4 O11.7996 -","4","0.5","","Melo Jorge, M.E.; Correia dos Santos, A.; Nunes, M.R.","Effects of synthesis method on stoichiometry, structure and electrical conductivity of Ca Mn O3-d","International Journal of Inorganic Materials","2001","3","","915","921","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526040","5.842","","7.378","","5.28","","90","","90","","90","","227.58","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dy (Mn O3)","","- Dy Mn O3 -","- Dy Mn O3 -","- Dy4 Mn4 O12 -","4","0.5","","Mori, T.; Aoki, K.; Shishido, T.; Kamegashira, N.; Fukuda, T.","Crystal structure of Dy Mn O3","Materials Letters","2000","42","","387","389","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526041","26.419","","5.6466","","9.1385","","90","","90","","90","","1363.26","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na1.25 Ca2 Mn9 O18","","- Ca2 Mn9 Na1.25 O18 -","- Ca2 Mn9 Na1.25 O18 -","- Ca8 Mn36 Na5 O72 -","4","0.5","","Floros, N.; Raveau, B.; Michel, C.; Hervieu, M.","Calcium insertion in the Na4 Mn9 O18 tunnel structure: Na1.1 Ca1.8 Mn9 O18","Journal of Solid State Chemistry","2001","162","","34","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","147144","2020-10-21","18:00:00",""
"1526066","11.963","","9.133","","8.05","","90","","90","","90","","879.528","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Y5 Ni0.38 Sb2.62","","- Ni0.38 Sb2.62 Y5 -","- Ni0.38 Sb2.62 Y5 -","- Ni1.52 Sb10.48 Y20 -","4","0.5","","Mozharivsky, Yu.; Franzen, H.F.","High-temperature modification of Y5 Sb3 and its ternary analogue Y5 Nix Sb3-x","Journal of Alloys Compd.","2001","319","","100","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","147172","2020-10-21","18:00:00",""
"1526069","19.9191","","19.89119","","13.3388","","90","","90","","90","","5285.03","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Si96 O192) (C6 H6 N2 O2)4","","- C24 H24 N8 O200 Si96 -","- C24 H16 N8 O200 Si96 -","- C24 H16 N8 O200 Si96 -","1","0.125","","Fyfe, C.A.; Brouwer, D.H.","Solid-state NMR and X-ray diffraction structural investigations of the p-nitroaniline/ZSM-5 komplex","Microporous and Mesoporous Materials","2000","39","","291","305","","","","","","","","","","","","","","","","","","","","","","has coordinates","147175","2020-10-21","18:00:00",""
"1526086","5.6049","","7.6654","","5.4616","","90","","90","","90","","234.651","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pr0.9 Mn O3","","- Mn O3 Pr0.9 -","- Mn0.992 O3 Pr0.902 -","- Mn3.968 O12 Pr3.608 -","4","0.5","","Munoz, A.; Alonso, J.A.; Martinez-Lope, M.J.; Fernandez-Diaz, M.T.","Magnetic structure evolution of Pr1-x Mn O3 perovskite from neutron powder diffraction data","Solid State Communications","2000","113","","227","231","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526105","9.0973","","5.6977","","7.2947","","90","","90","","90","","378.111","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4) (B F4)","","- B F4 H4 N -","- B F4 H4 N -","- B4 F16 H16 N4 -","4","0.5","","Goebbels, D.; Meyer, G.","Aufbau und Abbau von (N H4) (B F4) und (H3 N)-(B F3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1799","1805","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526120","7.109","","4.1069","","13.938","","90","","90","","90","","406.933","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Ba0.93 Sr0.07) Mn S2","","- Ba0.93 Mn S2 Sr0.07 -","- Ba0.93 Mn S2 Sr0.07 -","- Ba3.72 Mn4 S8 Sr0.28 -","4","0.5","","Gonen, Z.S.; Fettinger, J.C.; Eichhorn, B.","Magnetic properties of Ba Mn S2 and Ba0.93 Sr0.07 Mn S2: short range magnetic ordering induced by isovalent substitution","Journal of Solid State Chemistry","2000","155","","305","311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526122","10.1362","","5.899","","4.6944","","90","","90","","90","","280.694","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Li0.918 Fe0.027) Mg (P O4)","","- Fe0.027 Li0.918 Mg O4 P -","- Fe0.027 Li0.918 Mg O4 P -","- Fe0.108 Li3.672 Mg4 O16 P4 -","4","0.5","","Goni, A.; Lezama, L.; Pujana, A.; Arriortua, M.I.; Rojo, T.","Clustering of Fe(3+) in the Li1-3x Fex Mg P O4 (0< x <0.1) solid solution","International Journal of Inorganic Materials","2001","3","","937","942","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526124","10.1171","","5.8803","","4.7012","","90","","90","","90","","279.682","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Li0.758 Fe0.081) Mg (P O4)","","- Fe0.081 Li0.758 Mg O4 P -","- Fe0.081 Li0.758 Mg O4 P -","- Fe0.324 Li3.032 Mg4 O16 P4 -","4","0.5","","Goni, A.; Rojo, T.; Lezama, L.; Pujana, A.; Arriortua, M.I.","Clustering of Fe(3+) in the Li1-3x Fex Mg P O4 (0< x <0.1) solid solution","International Journal of Inorganic Materials","2001","3","","937","942","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526138","7.77","","6.143","","6.965","","90","","90","","90","","332.447","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","V (P O4) O","","- O5 P V -","- O5 P V -","- O20 P4 V4 -","4","0.5","","Gopal, R.; Calvo, C.","Crystal structure of beta-V P O5","Journal of Solid State Chemistry","1972","5","","432","435","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526176","5.48588","","7.76824","","5.52467","","90","","90","","90","","235.437","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","La (Cr O3)","","- Cr La O3 -","- Cr La O3 -","- Cr4 La4 O12 -","4","0.5","","Oikawa, K.; Kamiyama, T.; Hashimoto, T.; Shimojyo, Y.; Morii, Y.","Structural phase transition of orthorhombic La Cr O3 studied by neutron powder diffraction","Journal of Solid State Chemistry","2000","154","","524","529","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526194","5.7353","","3.5448","","6.6861","","90","","90","","90","","135.932","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Li2 S -","- Li2 S -","- Li8 S4 -","4","0.5","","Grzechnik, A.; Syassen, K.; Vegas, A.; Hanfland, M.; Loa, I.; Jansen, M.","Reversible antifluorite to anticotunnite phase transition in Li2 S at high pressures","Journal of Solid State Chemistry","2000","154","","603","611","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526215","11.406","","23.765","","16.923","","90","","90","","90","","4587.21","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na9 Gd5 Sb8 (S2)2 S22","","- Gd5 Na9 S26 Sb8 -","- Gd5 Na9 S26 Sb8 -","- Gd20 Na36 S104 Sb32 -","4","0.5","","Park, S.; Kim, S.-J.","Synthesis and crystal structure of a new quaternary thioantimonate, Na9 Gd5 Sb8 S26","Journal of Solid State Chemistry","2001","161","","129","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","147350","2020-10-21","18:00:00",""
"1526223","11.905","","5.817","","9.542","","90","","90","","90","","660.797","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pb3 O2 Cl2","","- Cl2 O2 Pb3 -","- Cl2 O2 Pb3 -","- Cl8 O8 Pb12 -","4","0.5","","Pasero, M.; Vacchiano, D.","Crystal structure of mendipite, Pb3 O2 Cl2","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","2000","2000","","563","569","","","","","","","","","","","","","","","","","","","","","","has coordinates","147360","2020-10-21","18:00:00",""
"1526315","6.814","","4.289","","7.87","","90","","90","","90","","230.003","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Zr Pd Sb","","- Pd Sb Zr -","- Pd Sb Zr -","- Pd4 Sb4 Zr4 -","4","0.5","","Heerdmann, A.; Johrendt, D.; Mewis, A.","Palladiumpnictide des Zirconiums und Hafniums mit einem Metall:Nichtmetall-Verhaeltnis von 2:1","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1393","1399","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526320","20.1381","","19.936","","13.4169","","90","","90","","90","","5386.52","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Si0.9717 O2","","- O2 Si0.9717 -","- O2 Si0.971667 -","- O192 Si93.28 -","96","12","","Henry, P.F.; Weller, M.T.; Wilson, C.C.","Structural investigation of TS-1: determination of the true nonrandom titanium framework substitution and silicon vacancy distribution from powder neutron diffraction studies using isotopes","J. Phys. Chem. B","2001","105","","7452","7458","","","","","","","","","","","","","","","","","","","","","","has coordinates","147472","2020-10-21","18:00:00",""
"1526322","20.1403","","19.9439","","13.4177","","90","","90","","90","","5389.57","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Ti0.0167 Si0.9483) O2","","- O2 Si0.9483 Ti0.0167 -","- O2 Si0.948333 Ti0.0166667 -","- O192 Si91.04 Ti1.6 -","96","12","","Henry, P.F.; Weller, M.T.; Wilson, C.C.","Structural investigation of TS-1: determination of the true nonrandom titanium framework substitution and silicon vacancy distribution from powder neutron diffraction studies using isotopes","J. Phys. Chem. B","2001","105","","7452","7458","","","","","","","","","","","","","","","","","","","","","","has coordinates","147474","2020-10-21","18:00:00",""
"1526333","15.985","","6.319","","10.995","","90","","90","","90","","1110.6","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Cs4 Sb2 -","- Cs4 Sb2 -","- Cs16 Sb8 -","4","0.5","","Hirschle, C.; Roehr, C.","Darstellung und Kristallstruktur der bekannten Zintl-Phasen Cs3 Sb7und Cs4 Sb2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1992","1998","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526367","5.5316","","7.753","","5.4775","","90","","90","","90","","234.911","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Ca0.5 La0.5) (Mn0.5 Ru0.5) O3","","- Ca0.5 La0.5 Mn0.5 O3 Ru0.5 -","- Ca0.5 La0.5 Mn0.5 O3 Ru0.5 -","- Ca2 La2 Mn2 O12 Ru2 -","4","0.5","","Horikubi, T.; Kamegashira, N.","Crystal structure and magnetic properties of A0.5 La0.5 Mn0.5 Ru0.5O3 (A = Ca, Sr, Ba)","Materials Chemistry and Physics","2000","65","","316","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","147534","2020-10-21","18:00:00",""
"1526369","5.4725","","7.7324","","5.4715","","90","","90","","90","","231.53","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Ca0.5 Sr0.5) Ti O3","","- Ca0.5 O3 Sr0.5 Ti -","- Ca0.5 O3 Sr0.5 Ti -","- Ca2 O12 Sr2 Ti4 -","4","0.5","","Howard, C.J.; Withers, R.L.; Kennedy, B.J.","Space group and structure for the perovskite Ca0.5 Sr0.5 Ti O3","Journal of Solid State Chemistry","2001","160","","8","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526399","5.4229","","7.6559","","5.4306","","90","","90","","90","","225.463","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(La0.53 Ca0.47) (Mn O3)","","- Ca0.47 La0.53 Mn O3 -","- Ca0.47 La0.53 Mn O3 -","- Ca1.88 La2.12 Mn4 O12 -","4","0.5","","Huang, Q.; Lynn, J.W.; Ghosh, K.; Erwin, R.W.; Dender, D.C.; Smolyaninova, V.N.; Santoro, A.; Greene, R.L.","Temperature and field dependence of the phase separation, structure and magnetic ordering in La1-x Cax Mn O3 (x = 0.47, 0.50 and 0.53)","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2000","61","","8895","8905","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526454","5.5129","","7.8328","","5.53619","","90","","90","","90","","239.061","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Na0.9 Sr0.1) (Ta O3)","","- Na0.9 O3 Sr0.1 Ta -","- Na0.9 O3 Sr0.1 Ta -","- Na3.6 O12 Sr0.4 Ta4 -","4","0.5","","Istomin, S.Ya.; Hannerz, H.; Svensson, G.; Koehler, J.","An X-ray powder and electron diffraction study of reduced tantalates with the perovskite structure, Na1-x Srx Ta O3, 0<x<4","Journal of Solid State Chemistry","2000","154","","427","434","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526498","13.5116","","4.0671","","5.5275","","90","","90","","90","","303.753","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ir Te2 -","- Ir Te2 -","- Ir4 Te8 -","4","0.5","","Jobic, S.; Brec, R.; Whangbo Myunghwan; Pasturel, A.; Koo, H.-J.","Theoretical study of possible iridium ditelluride phases attainable under high pressure","Journal of Solid State Chemistry","2001","162","","63","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526502","22.9525","","4.0789","","6.4761","","90","","90","","90","","606.299","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ir Te2 -","- Ir Te2 -","- Ir8 Te16 -","8","1","","Jobic, S.; Brec, R.; Pasturel, A.; Whangbo Myunghwan; Koo, H.-J.","Theoretical study of possible iridium ditelluride phases attainable under high pressure","Journal of Solid State Chemistry","2001","162","","63","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526524","12.095","","5.6","","7.06","","90","","90","","90","","478.188","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Tm2 Ba Cu O5","","- Ba Cu O5 Tm2 -","- Ba Cu O5 Tm2 -","- Ba4 Cu4 O20 Tm8 -","4","0.5","","Kan, A.; Ogawa, H.; Ohsato, H.; Ishihara, S.","Effects of variations in crystal structure on microwave dielectric properties of Y2 Ba Cu O5","Journal of the European Ceramic Society","2001","21","","2593","2598","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526526","12.12","","5.613","","7.093","","90","","90","","90","","482.534","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Er2 Ba Cu O5","","- Ba Cu Er2 O5 -","- Ba Cu Er2 O5 -","- Ba4 Cu4 Er8 O20 -","4","0.5","","Kan, A.; Ishihara, S.; Ogawa, H.; Ohsato, H.","Effects of variations in crystal structure on microwave dielectric properties of Y2 Ba Cu O5","Journal of the European Ceramic Society","2001","21","","2593","2598","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526528","12.248","","5.66","","7.173","","90","","90","","90","","497.259","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dy2 Ba Cu O5","","- Ba Cu Dy2 O5 -","- Ba Cu Dy2 O5 -","- Ba4 Cu4 Dy8 O20 -","4","0.5","","Kan, A.; Ohsato, H.; Ogawa, H.; Ishihara, S.","Effects of variations in crystal structure on microwave dielectric properties of Y2 Ba Cu O5","Journal of the European Ceramic Society","2001","21","","2593","2598","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526544","14.0658","","7.75102","","6.14973","","90","","90","","90","","670.47","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Li4 Ge S4","","- Ge Li4 S4 -","- Ge Li4 S4 -","- Ge4 Li16 S16 -","4","0.5","","Kanno, R.; Hata, T.; Kawamoto, Y.; Irie, M.","Synthesis of a new lithium ionic conductor, thio-LISICON lithium germanium sulfide system","Solid State Ionics","2000","130","","97","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526558","5.362","","7.328","","12.681","","90","","90","","90","","498.271","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Na0.87 Ca2.13) (Ge O4) F","","- Ca2.13 F Ge Na0.87 O4 -","- Ca2.13 F Ge Na0.87 O4 -","- Ca8.52 F4 Ge4 Na3.48 O16 -","4","0.5","","Schneemeyer, L.F.; Guterman, L.; Siegrist, T.; Kowach, G.R.","Synthesis and structure of a new germanate fluoride: Na Ca2 Ge O4 F","Journal of Solid State Chemistry","2001","160","","33","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526573","15.993","","6.473","","8.735","","90","","90","","90","","904.271","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr Ni10 P6","","- Ni10 P6 Sr -","- Ni10 P6 Sr -","- Ni40 P24 Sr4 -","4","0.5","","Keimes, V.; Hellmann, A.; Mewis, A.; Huhnt, C.; Schuette, N.","Sr Ni10 P6, Eu Ni10 P6 und Ba Co10 As6: Phasenumwandlungen und Kristallstrukturen","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1653","1659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526575","15.925","","6.478","","8.72","","90","","90","","90","","899.574","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu Ni10 P6 -","- Eu Ni10 P6 -","- Eu4 Ni40 P24 -","4","0.5","","Keimes, V.; Hellmann, A.; Mewis, A.; Schuette, N.; Huhnt, C.","Sr Ni10 P6, Eu Ni10 P6 und Ba Co10 As6: Phasenumwandlungen und Kristallstrukturen","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1653","1659","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526581","16.405","","6.858","","8.955","","90","","90","","90","","1007.49","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ba Co10 As6","","- As6 Ba Co10 -","- As6 Ba Co10 -","- As24 Ba4 Co40 -","4","0.5","","Keimes, V.; Hellmann, A.; Huhnt, C.; Mewis, A.; Schuette, N.","Sr Ni10 P6, Eu Ni10 P6 und Ba Co10 As6: Phasenumwandlungen und Kristallstrukturen","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1653","1659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526583","7.982","","12.267","","14.599","","90","","90","","90","","1429.46","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb2 (Pd I4) (I2)","","- I6 Pd Rb2 -","- I6 Pd Rb2 -","- I24 Pd4 Rb8 -","4","0.5","","Schuepp, B.; Heines, P.; Keller, H.L.","Zwei neue Iodopalladate mit gleicher Summenformel: Rb2 Pd I4 * I2 -ein neuer Strukturtyp mit eingelagerten I2-Molekuelen - und Rb2 Pd I6","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","202","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526630","7.0936","","18.157","","6.3148","","90","","90","","90","","813.337","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Nd3 Cl (Si O4)2","","- Cl Nd3 O8 Si2 -","- Cl Nd3 O8 Si2 -","- Cl4 Nd12 O32 Si8 -","4","0.5","","Sieke, C.; Hartenbach, I.; Schleid, T.","Zur Dimorphie von Nd3 Cl (Si O4)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","2236","2239","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526653","8.71","","6.585","","11.24","","90","","90","","90","","644.674","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ba Si2 -","- Ba Si2 -","- Ba8 Si16 -","8","1","","Kitano, A.; Moriguchi, K.; Yonemura, M.; Sakata, M.; Munetoh, S.; Fukuoka, H.; Shintani, A.; Nishibori, E.; Yamanaka, S.; Takata, M.","Structural properties and thermodynamic stability of Ba-doped silicon type-I clathrates synthesized under high pressure","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","0452061","0452069","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526673","5.9472","","3.5516","","6.7452","","90","","90","","90","","142.473","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Co0.525 Fe0.475) Mn P","","- Co0.525 Fe0.475 Mn P -","- Co0.525 Fe0.475 Mn P -","- Co2.1 Fe1.9 Mn4 P4 -","4","0.5","","Sredniawa, B.; Zach, R.; Tobola, J.; Fornal, P.; Fruchart, D.; Bombik, A.; Kaprzyk, S.; Niziol, S.; Duraj, R.; Bacmann, M.; Stanek, J.; Fruchart, R.","Crystal structure, magnetic and electronic properties of Cox Fe1-x Mn P system","Journal of Alloys Compd.","2001","317","","266","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526675","5.9429","","3.5317","","6.7318","","90","","90","","90","","141.291","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Co0.65 Fe0.35) Mn P","","- Co0.65 Fe0.35 Mn P -","- Co0.65 Fe0.35 Mn P -","- Co2.6 Fe1.4 Mn4 P4 -","4","0.5","","Sredniawa, B.; Duraj, R.; Fornal, P.; Zach, R.; Bombik, A.; Fruchart, D.; Tobola, J.; Bacmann, M.; Kaprzyk, S.; Niziol, S.; Stanek, J.; Fruchart, R.","Crystal structure, magnetic and electronic properties of Cox Fe1-x Mn P system","Journal of Alloys Compd.","2001","317","","266","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526677","5.9421","","3.523","","6.7326","","90","","90","","90","","140.94","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Co0.7 Fe0.3) Mn P","","- Co0.7 Fe0.3 Mn P -","- Co0.7 Fe0.3 Mn P -","- Co2.8 Fe1.2 Mn4 P4 -","4","0.5","","Sredniawa, B.; Zach, R.; Fornal, P.; Duraj, R.; Bombik, A.; Fruchart, D.; Tobola, J.; Fruchart, R.; Niziol, S.; Bacmann, M.; Kaprzyk, S.; Stanek, J.","Crystal structure, magnetic and electronic properties of Cox Fe1-x Mn P system","Journal of Alloys Compd.","2001","317","","266","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526721","6.8618","","4.21","","7.4262","","90","","90","","90","","214.529","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tb Ir Si","","- Ir Si Tb -","- Ir Si Tb -","- Ir4 Si4 Tb4 -","4","0.5","","Szytula, A.; Hofmann, M.; Leciejewicz, J.; Zygmunt, A.; Penc, B.","Magnetic properties and magnetic structures of R Ir Si (R = Tb-Er) series of compounds","Journal of Alloys Compd.","2001","316","","58","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526723","6.8167","","4.1929","","7.4384","","90","","90","","90","","212.602","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Dy Ir Si -","- Dy Ir Si -","- Dy4 Ir4 Si4 -","4","0.5","","Szytula, A.; Zygmunt, A.; Hofmann, M.; Leciejewicz, J.; Penc, B.","Magnetic properties and magnetic structures of R Ir Si (R = Tb-Er) series of compounds","Journal of Alloys Compd.","2001","316","","58","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526725","6.7703","","4.1748","","7.4432","","90","","90","","90","","210.379","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ho Ir Si -","- Ho Ir Si -","- Ho4 Ir4 Si4 -","4","0.5","","Szytula, A.; Hofmann, M.; Zygmunt, A.; Leciejewicz, J.; Penc, B.","Magnetic properties and magnetic structures of R Ir Si (R = Tb-Er) series of compounds","Journal of Alloys Compd.","2001","316","","58","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526727","6.7348","","4.1594","","7.4444","","90","","90","","90","","208.538","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Er Ir Si -","- Er Ir Si -","- Er4 Ir4 Si4 -","4","0.5","","Szytula, A.; Hofmann, M.; Leciejewicz, J.; Penc, B.; Zygmunt, A.","Magnetic properties and magnetic structures of R Ir Si (R = Tb-Er) series of compounds","Journal of Alloys Compd.","2001","316","","58","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526740","7.81","","3.89","","14.01","","90","","90","","90","","425.636","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr2 Ni N2","","- N2 Ni Sr2 -","- N2 Ni Sr2 -","- N8 Ni4 Sr8 -","4","0.5","","Kowach, G.R.; Brese, N.E.; Bolle, U.M.; Warren, C.J.; DiSalvo, F.J.","An unusual metallic nitride: Sr2 Ni N2","Journal of Solid State Chemistry","2000","154","","542","550","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526741","5.35326","","7.5548","","5.34146","","90","","90","","90","","216.024","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Ca0.9 Sr0.1) (Fe O3)","","- Ca0.9 Fe O3 Sr0.1 -","- Ca0.9 Fe O3 Sr0.1 -","- Ca3.6 Fe4 O12 Sr0.4 -","4","0.5","","Takeda, T.; Kanno, R.; Kawamoto, Y.; Izumi, F.; Takano, M.; Kawasaki, S.; Kamiyama, T.","Metal-semiconductor transition, charge disproportionation, and low-temperature structure of Ca1-x Srx Fe O3 synthesized under high-oxygen pressure","Solid State Sciences","2000","2","","673","687","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526743","5.3602","","7.5762","","5.3605","","90","","90","","90","","217.69","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Ca0.8 Sr0.2) (Fe O3)","","- Ca0.8 Fe O3 Sr0.2 -","- Ca0.8 Fe O3 Sr0.2 -","- Ca3.2 Fe4 O12 Sr0.8 -","4","0.5","","Takeda, T.; Kanno, R.; Kawamoto, Y.; Takano, M.; Kawasaki, S.; Izumi, F.; Kamiyama, T.","Metal-semiconductor transition, charge disproportionation, and low-temperature structure of Ca1-x Srx Fe O3 synthesized under high-oxygen pressure","Solid State Sciences","2000","2","","673","687","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526745","5.39295","","7.6062","","5.3824","","90","","90","","90","","220.785","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Ca0.6 Sr0.4) (Fe O3)","","- Ca0.6 Fe O3 Sr0.4 -","- Ca0.6 Fe O3 Sr0.4 -","- Ca2.4 Fe4 O12 Sr1.6 -","4","0.5","","Takeda, T.; Takano, M.; Kanno, R.; Kawamoto, Y.; Kawasaki, S.; Kamiyama, T.; Izumi, F.","Metal-semiconductor transition, charge disproportionation, and low-temperature structure of Ca1-x Srx Fe O3 synthesized under high-oxygen pressure","Solid State Sciences","2000","2","","673","687","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526751","5.35168","","7.54004","","5.32613","","90","","90","","90","","214.919","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca (Fe O3)","","- Ca Fe O3 -","- Ca Fe O3 -","- Ca4 Fe4 O12 -","4","0.5","","Takeda, T.; Kanno, R.; Kawamoto, Y.; Takano, M.; Kawasaki, S.; Kamiyama, T.; Izumi, F.","Metal-semiconductor transition, charge disproportionation, and low-temperature structure of Ca1-x Srx Fe O3 synthesized under high-oxygen pressure","Solid State Sciences","2000","2","","673","687","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526781","5.661","","7.83","","5.551","","90","","90","","90","","246.052","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La0.98 (Mn0.88 V0.1) O3","","- La0.98 Mn0.88 O3 V0.1 -","- La0.98 Mn0.882 O3 V0.098 -","- La3.92 Mn3.528 O12 V0.392 -","4","0.5","","Teplykh, A.E.; Pirogov, A.N.; Men'shikov, A.Z.; Bazuev, G.V.","Crystal structure and magnetic state of the La Mn1-x Vx O3 perovskites","Physics of the Solid State","2000","42","","2241","2249","","","","","","","","","","","","","","","","","","","","","","has coordinates","148026","2020-10-21","18:00:00",""
"1526783","5.642","","7.859","","5.548","","90","","90","","90","","246.001","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La0.99 (Mn0.79 V0.2) O3","","- La0.99 Mn0.79 O3 V0.2 -","- La0.99 Mn0.792 O3 V0.198 -","- La3.96 Mn3.168 O12 V0.792 -","4","0.5","","Teplykh, A.E.; Pirogov, A.N.; Men'shikov, A.Z.; Bazuev, G.V.","Crystal structure and magnetic state of the La Mn1-x Vx O3 perovskites","Physics of the Solid State","2000","42","","2241","2249","","","","","","","","","","","","","","","","","","","","","","has coordinates","148028","2020-10-21","18:00:00",""
"1526785","5.62","","7.87","","5.559","","90","","90","","90","","245.871","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La0.98 (Mn0.686 V0.294) O3","","- La0.98 Mn0.686 O3 V0.294 -","- La0.98 Mn0.686 O3 V0.294 -","- La3.92 Mn2.744 O12 V1.176 -","4","0.5","","Teplykh, A.E.; Pirogov, A.N.; Men'shikov, A.Z.; Bazuev, G.V.","Crystal structure and magnetic state of the La Mn1-x Vx O3 perovskites","Physics of the Solid State","2000","42","","2241","2249","","","","","","","","","","","","","","","","","","","","","","has coordinates","148030","2020-10-21","18:00:00",""
"1526787","5.611","","7.877","","5.562","","90","","90","","90","","245.828","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La (Mn0.5 V0.5) O3","","- La Mn0.5 O3 V0.5 -","- La Mn0.5 O3 V0.5 -","- La4 Mn2 O12 V2 -","4","0.5","","Teplykh, A.E.; Pirogov, A.N.; Men'shikov, A.Z.; Bazuev, G.V.","Crystal structure and magnetic state of the La Mn1-x Vx O3 perovskites","Physics of the Solid State","2000","42","","2241","2249","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526789","5.589","","7.863","","5.559","","90","","90","","90","","244.298","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La0.99 (Mn0.297 V0.693) O3","","- La0.99 Mn0.297 O3 V0.693 -","- La0.99 Mn0.297 O3 V0.693 -","- La3.96 Mn1.188 O12 V2.772 -","4","0.5","","Teplykh, A.E.; Pirogov, A.N.; Men'shikov, A.Z.; Bazuev, G.V.","Crystal structure and magnetic state of the La Mn1-x Vx O3 perovskites","Physics of the Solid State","2000","42","","2241","2249","","","","","","","","","","","","","","","","","","","","","","has coordinates","148034","2020-10-21","18:00:00",""
"1526790","5.577","","7.857","","5.556","","90","","90","","90","","243.456","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La0.99 (Mn0.2 V0.79) O3","","- La0.99 Mn0.2 O3 V0.79 -","- La0.99 Mn0.198 O3 V0.792 -","- La3.96 Mn0.792 O12 V3.168 -","4","0.5","","Teplykh, A.E.; Pirogov, A.N.; Men'shikov, A.Z.; Bazuev, G.V.","Crystal structure and magnetic state of the La Mn1-x Vx O3 perovskites","Physics of the Solid State","2000","42","","2241","2249","","","","","","","","","","","","","","","","","","","","","","has coordinates","148036","2020-10-21","18:00:00",""
"1526791","5.56","","7.853","","5.553","","90","","90","","90","","242.459","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La0.99 (Mn0.1 V0.89) O3","","- La0.99 Mn0.1 O3 V0.89 -","- La0.99 Mn0.099 O3 V0.891 -","- La3.96 Mn0.396 O12 V3.564 -","4","0.5","","Teplykh, A.E.; Pirogov, A.N.; Men'shikov, A.Z.; Bazuev, G.V.","Crystal structure and magnetic state of the La Mn1-x Vx O3 perovskites","Physics of the Solid State","2000","42","","2241","2249","","","","","","","","","","","","","","","","","","","","","","has coordinates","148038","2020-10-21","18:00:00",""
"1526798","5.6082","","7.9642","","5.6084","","90","","90","","90","","250.498","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sr2 Fe Nb O6","","- Fe Nb O6 Sr2 -","- Fe Nb O6 Sr2 -","- Fe2 Nb2 O12 Sr4 -","2","0.25","","Tezuka, K.; Henmi, K.; Hinatsu, Y.; Masaki, N.M.","Magnetic susceptibilities and Mossbauer spectra of perovskites A2 Fe Nb O6 (A= Sr, Ba)","Journal of Solid State Chemistry","2000","154","","591","597","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526830","13.453","","3.9812","","6.2908","","90","","90","","90","","336.929","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cu Y S2","","- Cu S2 Y -","- Cu S2 Y -","- Cu4 S8 Y4 -","4","0.5","","Lauxmann, P.; Schleid, T.","Cu Y S2 : ein ternaeres Kupfer(I) - Yttrium(III) - Sulfid mit Ketten (1 infty)((Cu (S1)3/3 (S2)1/1)(3-)) cis-kantenverknuepfter (Cu S4)(7-) - Tetraeder","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1608","1612","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526834","5.2886","","12.3391","","13.0321","","90","","90","","90","","850.43","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","W2 O3 (P2 O7)","","- O10 P2 W2 -","- O10 P2 W2 -","- O40 P8 W8 -","4","0.5","","Leclaire, A.; Chardon, J.; Raveau, B.","Stabilization of a W(V) diphosphate, W2 O3 . P2 O7, with an empty tunnel structure","Journal of Solid State Chemistry","2000","155","","112","115","","","","","","","","","","","","","","","","","","","","","","has coordinates","148085","2020-10-21","18:00:00",""
"1526839","8.8989","","7.5341","","9.142","","90","","90","","90","","612.927","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pb (V O) (P2 O7)","","- O8 P2 Pb V -","- O8 P2 Pb V -","- O32 P8 Pb4 V4 -","4","0.5","","Leclaire, A.; Borel, M.M.; Raveau, B.","A vanadium(IV) diphosphate with an intersecting tunnel structure, Pb V O P2 O7","Journal of Solid State Chemistry","2001","162","","354","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526918","19.0404","","4.352","","4.366","","90","","90","","90","","361.783","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ce Sb Te -","- Ce Sb Te -","- Ce4 Sb4 Te4 -","4","0.5","","Wang, Y.C.; DiSalvo, F.J.; Poduska, K.M.; Hoffmann, R.","Structure and physical properties of Ce Sb Te","Journal of Alloys Compd.","2001","314","","132","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526956","8.411","","7.566","","14.359","","90","","90","","90","","913.773","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na (H3 O) (Mo3 O10)","","- H3 Mo3 Na O11 -","- Mo3 Na O11 -","- Mo12 Na4 O44 -","4","0.5","","Wu, C.-D.; Wu, D.-M.; Lin, X.; Lu, C.-Z.; Zhuang, H.-H.","Hydrothermal synthesis and crystal structure of trioxomolybdate: Na H3 O Mo3 O10","Jiegon Huaxue","2001","20","","266","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526992","7.1586","","3.50691","","5.01424","","90","","90","","90","","125.88","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Li Mg N -","- Li Mg N -","- Li4 Mg4 N4 -","4","0.5","","Yamane, H.; Shimada, M.; Okabe, T.H.; Waseda, Y.; Ishiyama, O.","Ternary nitrides prepared in the (Li3 N)-(Mg3 N2) system at 900 - 1000 K","Journal of Alloys Compd.","2001","319","","124","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527030","5.4722","","7.7255","","5.474","","90","","90","","90","","231.416","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La0.5 Pr0.5 Cr O3","","- Cr La0.5 O3 Pr0.5 -","- Cr La0.5 O3 Pr0.5 -","- Cr4 La2 O12 Pr2 -","4","0.5","","Yoshii, K.; Nakamura, A.; Ishii, Y.; Morii, Y.","Magnetic properties of La1-x Prx Cr O3","Journal of Solid State Chemistry","2001","162","","84","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527068","9.565","","7.158","","18.976","","90","","90","","90","","1299.22","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Zn (N3)2 (N H3)2","","- H6 N8 Zn -","- H6 N8 Zn -","- H48 N64 Zn8 -","8","1","","Agrell, I.; Vannerberg, N.G.","The crystal structure of diazidodiamminezinc(II), Zn (N3)2 (N H3)2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","1630","1644","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1527087","5.925","","3.581","","6.776","","90","","90","","90","","143.769","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ca D2 -","- Ca D2 -","- Ca4 D8 -","4","0.5","","Andresen, A.F.; Maeland, A.J.; Slotfeldt-Ellingsen, D.","Calcium hydride and deuteride studied by neutron diffraction and NMR","Journal of Solid State Chemistry","1977","20","","93","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527108","13.12","","7.97","","10.29","","90","","90","","90","","1075.99","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","(Co (N H3)5 S2 O3) Cl H2 O","","- Cl Co H17 N5 O4 S2 -","- Cl Co H17 N5 O4 S2 -","- Cl4 Co4 H68 N20 O16 S8 -","4","0.5","","Baggio, S.","Crystal and molecular structure of thiosulfatopentaamminecobalt(III) chloride monohydrate","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1970","1970","","2384","2387","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1527122","7.66","","4.22","","15.95","","90","","90","","90","","515.587","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- La2 S3 -","- La2 S3 -","- La8 S12 -","4","0.5","","Basancon, P.; Laruelle, P.; Flahaut, J.; Adolphe, C.","Sur les varietes alpha et beta des sulfures L2 S3 des terres rares","Materials Research Bulletin","1969","4","","227","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527131","7.156","","4.546","","7.474","","90","","90","","90","","243.138","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Co Dy Sn -","- Co Dy Sn -","- Co4 Dy4 Sn4 -","4","0.5","","Bazela, W.; Zygmunt, A.; Leciejewicz, J.; Szytula, A.; Stuesser, N.","Magnetic ordering in R Co Sn (R= Dy, Ho, Er) compounds","Journal of Magnetism and Magnetic Materials","1994","137","","219","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527132","7.102","","4.496","","7.446","","90","","90","","90","","237.755","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Co Er Sn -","- Co Er Sn -","- Co4 Er4 Sn4 -","4","0.5","","Bazela, W.; Stuesser, N.; Leciejewicz, J.; Szytula, A.; Zygmunt, A.","Magnetic ordering in R Co Sn (R= Dy, Ho, Er) compounds","Journal of Magnetism and Magnetic Materials","1994","137","","219","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527140","10.2173","","8.3281","","7.1459","","90","","90","","90","","608.05","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Sb3 Ti5 -","- Sb3 Ti5 -","- Sb12 Ti20 -","4","0.5","","Berger, R.","Structure refinement of Ti5 Sb3 from single-crystal data","Acta Chemica Scandinavica, Series A: (28,1974-)","1977","31","","889","890","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527150","7.116","","4.312","","5.486","","90","","90","","90","","168.333","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Cu0.3 Ni0.7) Gd","","- Cu0.3 Gd Ni0.7 -","- Cu0.3 Gd Ni0.7 -","- Cu1.2 Gd4 Ni2.8 -","4","0.5","","Blanco, J.A.; Gignoux, D.; Gomez Sal, J.C.; Carvajal, J.R.; Fernandez, J.R.; Schmitt, D.","Magnetic structures of the orthorhombic Gd Ni1-x Cux compounds","Journal of Physics: Condensed Matter","1992","180","","100","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527182","7.865","","4.731","","9.421","","90","","90","","90","","350.549","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ba Cl2 -","- Ba Cl2 -","- Ba4 Cl8 -","4","0.5","","Brackett, E.B.; Brackett, T.E.; Sass, R.L.","The crystal structures of barium chloride, barium bromide and barium iodide","Journal of Physical Chemistry","1963","67","","2132","2135","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527183","8.276","","4.956","","9.919","","90","","90","","90","","406.836","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ba Br2 -","- Ba Br2 -","- Ba4 Br8 -","4","0.5","","Brackett, E.B.; Brackett, T.E.; Sass, R.L.","The crystal structures of barium chloride, barium bromide and barium iodide","Journal of Physical Chemistry","1963","67","","2132","2135","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527184","8.922","","5.304","","10.695","","90","","90","","90","","506.112","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ba I2 -","- Ba I2 -","- Ba4 I8 -","4","0.5","","Brackett, E.B.; Brackett, T.E.","The crystal structures of barium chloride, barium bromide and barium iodide","Journal of Physical Chemistry","1963","67","","2132","2135","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527202","14.12","","12.99","","6.19","","90","","90","","90","","1135.36","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","N3 P3 Cl6","","- Cl6 N3 P3 -","- Cl6 N3 P3 -","- Cl24 N12 P12 -","4","0.5","","Bullen, G.J.","An improved determination of the crystal structure of hexachlorocyclo-triphosphazen(phosphonitrilic chloride)","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1971","1971","","1450","1453","","","","","","","","","","","","","","","","","","","","","","has coordinates","148613","2020-10-21","18:00:00",""
"1527210","17.844","","17.1902","","25.078","","90","","90","","90","","7692.47","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- In39 K18.2 Na4.8 -","- In39 K18.17 Na4.83 -","- In156 K72.68 Na19.32 -","4","0.5","","Carillo-Cabrera, W.; Carcoca-Canales, N.; von Schnering, H.G.","K21-x Na2+x In39 (x= 2.8): A cluster-replacement clathrate-II structure with an alkali metal M136-network","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","247","257","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527236","12.71","","3.8","","12.88","","90","","90","","90","","622.078","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Yb3 S4","","- S4 Yb3 -","- S4 Yb3 -","- S16 Yb12 -","4","0.5","","Chevalier, R.; Laruelle, P.; Flahaut, J.","Structure cristallographique Yb3 S4","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1967","90","","564","574","","","","","","","","","","","","","","","","","","","","","","has coordinates","148675","2020-10-21","18:00:00",""
"1527281","7.184","","4.429","","7.595","","90","","90","","90","","241.657","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca Ga Pt -","- Ca Ga Pt -","- Ca4 Ga4 Pt4 -","4","0.5","","Dascoulidou-Gritner, K.; Schuster, H.U.","Darstellung und Kristallstrukturen der Verbindungen Ca Pt Ga, Ca Pt In und Ca Pd.4 Ga1.6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","1151","1156","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527282","7.28","","4.372","","8.356","","90","","90","","90","","265.956","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca In Pt -","- Ca In Pt -","- Ca4 In4 Pt4 -","4","0.5","","Dascoulidou-Gritner, K.; Schuster, H.U.","Darstellung und Kristallstrukturen der Verbindungen Ca Pt Ga, Ca Pt In und Ca Pd.4 Ga1.6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","1151","1156","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527337","5.666","","7.712","","5.535","","90","","90","","90","","241.858","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La0.95 Ca0.05 Mn O3","","- Ca0.05 La0.95 Mn O3 -","- Ca0.05 La0.95 Mn O3 -","- Ca0.2 La3.8 Mn4 O12 -","4","0.5","","Elemans, J.B.A.A.; van Laar, B.; van der Veen, K.R.; Loopstra, B.O.","The Crystallographic and magnetic Structures of La(1-X) Bax Mn(1-X) Mex O3 (Me = Mn or Ti)","Journal of Solid State Chemistry","1971","3","","238","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527338","5.638","","7.737","","5.548","","90","","90","","90","","242.01","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La0.95 Ba0.05 Mn O3","","- Ba0.05 La0.95 Mn O3 -","- Ba0.05 La0.95 Mn O3 -","- Ba0.2 La3.8 Mn4 O12 -","4","0.5","","Elemans, J.B.A.A.; van Laar, B.; van der Veen, K.R.; Loopstra, B.O.","The Crystallographic and magnetic Structures of La(1-X) Bax Mn(1-X) Mex O3 (Me = Mn or Ti)","Journal of Solid State Chemistry","1971","3","","238","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527339","5.682","","7.738","","5.56","","90","","90","","90","","244.458","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","La0.95 Ba0.05 Mn0.95 Ti0.05 O3","","- Ba0.05 La0.95 Mn0.95 O3 Ti0.05 -","- Ba0.05 La0.95 Mn0.95 O3 Ti0.05 -","- Ba0.2 La3.8 Mn3.8 O12 Ti0.2 -","4","0.5","","Elemans, J.B.A.A.; van Laar, B.; van der Veen, K.R.; Loopstra, B.O.","The Crystallographic and magnetic Structures of La(1-X) Bax Mn(1-X) Mex O3 (Me = Mn or Ti)","Journal of Solid State Chemistry","1971","3","","238","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","148855","2020-10-21","18:00:00",""
"1527340","5.618","","7.798","","5.571","","90","","90","","90","","244.061","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","La0.90 Ba0.10 Mn0.90 Ti0.10 O3","","- Ba0.1 La0.9 Mn0.9 O3 Ti0.1 -","- Ba0.1 La0.9 Mn0.9 O3 Ti0.1 -","- Ba0.4 La3.6 Mn3.6 O12 Ti0.4 -","4","0.5","","Elemans, J.B.A.A.; van Laar, B.; Loopstra, B.O.; van der Veen, K.R.","The Crystallographic and magnetic Structures of La(1-X) Bax Mn(1-X) Mex O3 (Me = Mn or Ti)","Journal of Solid State Chemistry","1971","3","","238","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","148856","2020-10-21","18:00:00",""
"1527341","5.57","","7.854","","5.574","","90","","90","","90","","243.845","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","La0.875 Ba0.125 Mn0.875 Ti0.125 O3","","- Ba0.125 La0.875 Mn0.875 O3 Ti0.125 -","- Ba0.125 La0.875 Mn0.875 O3 Ti0.125 -","- Ba0.5 La3.5 Mn3.5 O12 Ti0.5 -","4","0.5","","Elemans, J.B.A.A.; van Laar, B.; van der Veen, K.R.; Loopstra, B.O.","The Crystallographic and magnetic Structures of La(1-X) Bax Mn(1-X) Mex O3 (Me = Mn or Ti)","Journal of Solid State Chemistry","1971","3","","238","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","148857","2020-10-21","18:00:00",""
"1527349","5.6173","","3.3909","","6.1534","","90","","90","","90","","117.208","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Pd Si -","- Pd Si -","- Pd4 Si4 -","4","0.5","","Engstroem, I.","Note on the crystal structures of Ru5 Si3 and Pd Si","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","1466","1468","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527356","7.169","","4.409","","7.438","","90","","90","","90","","235.101","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca Ge Pt -","- Ca Ge Pt -","- Ca4 Ge4 Pt4 -","4","0.5","","Evers, J.; Sendlinger, P.; Oehlinger, G.; Polborn, K.","Ternaere Phasen M Pt Ge (M= Ca, Eu, Sr, Ba) im LaIrSi- und im TiNiSi-Typ","Journal of the Less-Common Metals","1992","182","","23","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527399","5.93","","10.48","","7.03","","90","","90","","90","","436.889","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K2 (Zr O3)","","- K2 O3 Zr -","- K2 O3 Zr -","- K8 O12 Zr4 -","4","0.5","","Gatehouse, B.M.; Lloyd, D.J.","The crystal structure of potassium metazirconate, K2 Zr O3, and its tin analogue, K2 Sn O4","Journal of Solid State Chemistry","1970","2","","410","415","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527400","5.74","","10.34","","7.14","","90","","90","","90","","423.77","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K2 (Sn O3)","","- K2 O3 Sn -","- K2 O3 Sn -","- K8 O12 Sn4 -","4","0.5","","Gatehouse, B.M.; Lloyd, D.J.","The crystal structure of potassium metazirconate, K2 Zr O3, and its tin analogue, K2 Sn O4","Journal of Solid State Chemistry","1970","2","","410","415","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527413","7.01","","4.14","","5.43","","90","","90","","90","","157.586","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ho Ni -","- Ho Ni -","- Ho4 Ni4 -","4","0.5","","Gignoux, D.; Paccard, D.; Rossat-Mignod, J.; Tcheou, F.","Importance of the crystal field on the magnetic moment orientation in the equiatomic rare earth-nickel R Ni compounds (R= Tb to Tm)","Rare Earths in Modern Science and Technology, (Rare Earth Res. Conf.)","1973","2","","596","604","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527417","8.333","","16.001","","8.473","","90","","90","","90","","1129.76","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ce5 Sn4 -","- Ce5 Sn4 -","- Ce20 Sn16 -","4","0.5","","Givord, F.; Munoz, A.; Lejay, P.; Schweizer, J.","Magnetic structures of Ce-rich compounds Ce5 Sn3 and Ce5 Sn4","Journal of Magnetism and Magnetic Materials","1992","116","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527435","11.54","","11.52","","5.95","","90","","90","","90","","790.998","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cl Mn (C O)5","","- C5 Cl Mn O5 -","- C5 Cl Mn O5 -","- C20 Cl4 Mn4 O20 -","4","0.5","","Greene, P.T.; Bryan, R.F.","Crystal and molecular structure of chloropentacarbonylmanganese","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1971","1971","","1559","1562","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527437","6.5614","","7.0153","","4.8414","","90","","90","","90","","222.851","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Bi F3 -","- Bi F3 -","- Bi4 F12 -","4","0.5","","Greis, O.; Martinez-Ripoll, M.","Darstellung, Temperaturverhalten und Kristallstruktur von Bi F3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","436","","105","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527446","19.866","","4.089","","11.439","","90","","90","","90","","929.214","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ce2 Ge4 Pt7 -","- Ce2 Ge4 Pt7 -","- Ce8 Ge16 Pt28 -","4","0.5","","Gribanov, A.V.; Pavlyuk, V.V.; Salamakha, P.S.; Bodak, O.I.; Sologub, O.L.; Seropegin, Yu.D.; Pecharskii, V.K.","Crystal structure of the compound Ce2 Pt7 Ge4","Journal of Alloys Compd.","1992","189","","11","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527486","8.13","","6.43","","7.86","","90","","90","","90","","410.889","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(N H4) (P O2 F2)","","- F2 H4 N O2 P -","- F2 H4 N O2 P -","- F8 H16 N4 O8 P4 -","4","0.5","","Harrison, R.W.; Trotter, J.","Structure of ammonium difluorophosphate","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1969","1969","","1783","1787","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527494","9.412","","13.647","","20.761","","90","","90","","90","","2666.66","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","S5 N5 Al Cl4","","- Al Cl4 N5 S5 -","- Al Cl4 N5 S5 -","- Al8 Cl32 N40 S40 -","8","1","","Hazell, A.C.; Gronbaek Hazell, R.","The Crystal Structure of Pentathiazyl Tetrachloroaluminate, S5 N5 Al Cl4","Acta Chemica Scandinavica (1-27,1973-42,1988)","1972","26","","1987","1995","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527524","11.878","","5.447","","9.16","","90","","90","","90","","592.647","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Fe2 Se3 -","- Ba Fe2 Se3 -","- Ba4 Fe8 Se12 -","4","0.5","","Hong, H.Y.-P.; Steinfink, H.","The Crystal Chemistry of Phases in the Ba-Fe-S and Se Systems","Journal of Solid State Chemistry","1972","5","","93","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527567","10.7686","","4.0348","","13.2805","","90","","90","","90","","577.026","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Cu4 S3 -","- Ba Cu4 S3 -","- Ba4 Cu16 S12 -","4","0.5","","Iglesias, J.E.; Pachali, K.E.; Steinfink, H.","The crystal structures and phase transition of alpha and beta Ba Cu4 S3","Materials Research Bulletin","1972","7","","1247","1258","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527587","8.92","","6.75","","11.57","","90","","90","","90","","696.63","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ba Si2 -","- Ba Si2 -","- Ba8 Si16 -","8","1","","Janzon, K.H.; Schaefer, H.; Weiss, A.","Zur Kenntnis der Disilicide der Erdalkalimetalle","Zeitschrift fuer Anorganische und Allgemeine Chemie","1970","372","","87","99","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527635","24.49","","5.457","","6.752","","90","","90","","90","","902.35","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Mo4 O11 -","- Mo4 O11 -","- Mo16 O44 -","4","0.5","","Kihlborg, L.","Crystal structure studies on monoclinic and orthorhombic Mo4 O11","Arkiv foer Kemi","1963","21","","365","377","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527651","5.07","","10.48","","17.64","","90","","90","","90","","937.277","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li3 Fe (Mo O4)3","","- Fe Li3 Mo3 O12 -","- Fe0.9999 Li3.0001 Mo3 O12 -","- Fe3.9996 Li12.0004 Mo12 O48 -","4","0.5","","Klevtsova, R.F.; Magarill, S.A.","Crystal structure of lithium iron molybdates Li3 Fe (Mo O4)3 and Li2 Fe2 (Mo O4)3","Kristallografiya","1970","15","","710","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527652","5.11","","10.56","","17.75","","90","","90","","90","","957.818","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li2 Fe2 (Mo O4)3","","- Fe2 Li2 Mo3 O12 -","- Fe2.0001 Li1.9999 Mo3 O12 -","- Fe8.0004 Li7.9996 Mo12 O48 -","4","0.5","","Klevtsova, R.F.; Magarill, S.A.","Crystal structure of lithium iron molybdates Li3 Fe (Mo O4)3 and Li2 Fe2 (Mo O4)3","Kristallografiya","1970","15","","710","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","149327","2020-10-21","18:00:00",""
"1527672","5.558","","3.211","","6.273","","90","","90","","90","","111.953","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ir Si -","- Ir Si -","- Ir4 Si4 -","4","0.5","","Korst, W.L.; Finnie, L.N.; Searcy, A.W.","The crystal structures of the monosilicides of osmium, iridium and ruthenium","Journal of Physical Chemistry","1957","61","","1541","1543","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527676","13.179","","5.826","","4.933","","90","","90","","90","","378.76","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Mn (Se O3) (D2 O)","","- D2 Mn O4 Se -","- Mn O4 Se -","- Mn4 O16 Se4 -","4","0.5","","Koskenlinna, M.; Valkonen, J.","The crystal structure of manganese(II) selenite monodeuterate","Acta Chemica Scandinavica, Series A: (28,1974-)","1977","31","","752","754","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527721","9.065","","5.569","","7.339","","90","","90","","90","","370.495","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(H3 O) (Cl O4)","","- Cl H3 O5 -","- Cl O5 -","- Cl4 O20 -","4","0.5","","Lee, F.S.; Carpenter, G.B.","The crystal structure of perchloric acid monohydrate","Journal of Physical Chemistry","1959","63","","279","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527731","14.5994","0.0017","11.0064","0.0004","5.6601","0.0005","90","","90","","90","","909.504","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","cerium(IV) sulfate tetrahydrate","","- Ce H8 O12 S2 -","- Ce H8 O12 S2 -","- Ce4 H32 O48 S8 -","4","0.5","","Lindgren, O.","The crystal structure of cerium(IV) sulfate tetrahydrate, Ce(SO4)2 . (H2O)4","Acta Chemica Scandinavica, Series A: Physical and Inorganic Chemistry","1977","31","","453","456","10.3891/acta.chem.scand.31a-0453","","","","","","","","","","","","","","","","","","","","","has coordinates","205226","2020-10-21","18:00:00",""
"1527757","7.137","","5.665","","9.767","","90","","90","","90","","394.891","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Eu2 (Si O4)","","- Eu2 O4 Si -","- Eu2 O4 Si -","- Eu8 O16 Si4 -","4","0.5","","Marchand, R.; l'Haridon, P.; Laurent, Y.","Structure cristalline de Eu2(II) Si O4 beta","Journal of Solid State Chemistry","1978","24","","71","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527767","5.043","","10.434","","22.372","","90","","90","","90","","1177.19","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Ba Se (S2 O3)2 (H2 O)1.75","","- Ba H3.5 O7.75 S4 Se -","- Ba H3.5 O7.75 S4 Se -","- Ba4 H14 O31 S16 Se4 -","4","0.5","","Maroy, K.","Refinement of the Crystal Structure of Barium Selenopentathionate Dihydrate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1972","26","","36","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1527775","16.534","","8.835","","13.658","","90","","90","","90","","1995.13","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K6 Ta3 (O2)3 O F13 (H2 O)","","- F13 H2 K6 O8 Ta3 -","- F13 H2 K6 O8 Ta3 -","- F52 H8 K24 O32 Ta12 -","4","0.5","","Massa, W.; Pausewang, G.","K6 Ta3 (O2)3 O F13 H2 O mit einem mue-Oxo-diperoxo-octafluoroditantalat(V)-Anion","Zeitschrift fuer Anorganische und Allgemeine Chemie","1979","456","","169","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1527811","12.614","","25.238","","14.562","","90","","90","","90","","4635.84","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","In3 In Cl6","","- Cl6 In4 -","- Cl6 In4 -","- Cl96 In64 -","16","2","","Meyer, G.","Das Indiumsesquichlorid, In2 Cl3; ein pseudobinaeres, gemischtvalentes Indium(I)-hexachloroindat(III)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1981","478","","39","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","149572","2020-10-21","18:00:00",""
"1527814","13.053","","23.2","","9.379","","90","","90","","90","","2840.24","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K4 (U O2 (S O4)3)","","- K4 O14 S3 U -","- K4 O14 S3 U -","- K32 O112 S24 U8 -","8","1","","Mikhailov, Yu.N.; Kokh, L.A.; Kuznetsov, V.G.; Sokol, S.K.; Grevtseva, T.G.; Ellert, G.V.","Synthesis and crystal structure of potassium trisulfatouranylate K4 (U O2 (S O4)3)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1977","3","","508","513","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527845","9.719","","7.658","","12.358","","90","","90","","90","","919.782","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 Cu Cl4","","- Cl4 Cs2 Cu -","- Cl4 Cs2 Cu -","- Cl16 Cs8 Cu4 -","4","0.5","","Morosin, B.; Lingafelter, E.C.","The configuration of the tetrachlorocuprate(II) ion","Journal of Physical Chemistry","1961","65","","50","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527860","12.95","","14","","7.414","","90","","90","","90","","1344.16","","","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","Sr K (Co (C N)6) (H2 O)2.5","","- C6 H5 Co K N6 O2.5 Sr -","- C6 Co K N6 O2.5 Sr -","- C24 Co4 K4 N24 O10 Sr4 -","4","0.5","","Mys'kiv, M.G.; Kryvlyuk, L.N.; Glovyak, T.; Gladyshevskii, E.I.","Crystal structure of Sr K (Co (C N)6) (H2 O)2.5 and Ca K (Co (C N)6) (H2 O)2.5","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1978","4","","127","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527861","12.83","","13.62","","7.345","","90","","90","","90","","1283.5","","","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","Ca K (Co (C N)6) (H2 O)2.5","","- C6 H5 Ca Co K N6 O2.5 -","- C6 Ca Co K N6 O2.5 -","- C24 Ca4 Co4 K4 N24 O10 -","4","0.5","","Mys'kiv, M.G.; Kryvlyuk, L.N.; Gladyshevskii, E.I.; Glovyak, T.","Crystal structure of Sr K (Co (C N)6) (H2 O)2.5 and Ca K (Co (C N)6) (H2 O)2.5","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1978","4","","127","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527872","13.806","","11.577","","7.292","","90","","90","","90","","1165.49","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K2 U O2 (S O4)2 (H2 O)2","","- H4 K2 O12 S2 U -","- K2 O12 S2 U -","- K8 O48 S8 U4 -","4","0.5","","Niinisto, L.; Toivonen, J.; Valkonen, J.","Uranyl(VI) Compounds. II. The Crystal Structure of Potassium Uranyl Sulfate Dihydrate K2 U O2 (S O4)2 (H2 O)2","Acta Chemica Scandinavica, Series A: (28,1974-)","1979","33","","621","624","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:26",""
"1527887","6.75","","21.67","","6.91","","90","","90","","90","","1010.74","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Na Ho4 (Ge O4)2 O2 O H","","- Ge2 H Ho4 Na O11 -","- Ge2 Ho4 Na O11 -","- Ge8 Ho16 Na4 O44 -","4","0.5","","Norlund Christensen, A.","Hydrothermal Preparation and Crystal Structure of Na Ho4 (Ge O4)2 O2 O H","Acta Chemica Scandinavica (1-27,1973-42,1988)","1972","26","","1955","1960","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527892","8.972","","5.996","","7.542","","90","","90","","90","","405.73","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","N H4 S O3 F","","- F H4 N O3 S -","- F H4 N O3 S -","- F4 H16 N4 O12 S4 -","4","0.5","","O'Sullivan, K.; Thompson, R.C.; Trotter, J.","Crystal structure of ammonium fluorosulfate","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1970","1970","","1814","1817","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527906","7.242","","9.863","","6.419","","90","","90","","90","","458.495","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ce3 Ru -","- Ce3 Ru -","- Ce12 Ru4 -","4","0.5","","Palenzona, A.","The phase diagram of the Ce-Ru system","Journal of Alloys Compd.","1991","176","","241","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527943","7.412","","7.578","","14.55","","90","","90","","90","","817.246","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","N3 P3 F4 (N H2)2","","- F4 H4 N5 P3 -","- F4 H4 N5 P3 -","- F16 H16 N20 P12 -","4","0.5","","Pohl, S.; Krebs, B.","Die Kristallstruktur und Molekuelstruktur von 4,4,6,6-Tetrafluor-1,3,5,2-lambda(5),4-lambda(5),6-lambda(5)-triazatriphosphori n- 2,2-diamin","Chemische Berichte","1976","109","","2622","2627","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527946","5.747","","8.004","","5.548","","90","","90","","90","","255.202","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na (Mn F3)","","- F3 Mn Na -","- F3 Mn Na -","- F12 Mn4 Na4 -","4","0.5","","Pompa, F.; Siciliano, F.","Distorsioni cristallografiche nelle strutture A B F3. Nota I.: Struttura cristallina di Na Mn F3","Ricerca Scientifica","1969","39","","21","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527967","5.9371","","3.4997","","6.7158","","90","","90","","90","","139.541","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Co Mn P -","- Co Mn P -","- Co4 Mn4 P4 -","4","0.5","","Radhakrishna, P.; Fujii, H.; Schweiss, P.; Brown, P.J.; Reichardt, W.; Doniach, S.","Magnetic and neutron diffraction studies on (Co1-x Mnx)2 P","Journal of Physics: Condensed Matter","1990","2","","3359","3368","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527999","10.22","","5.57","","14.52","","90","","90","","90","","826.557","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K2 Ta2 O3 F6","","- F6 K2 O3 Ta2 -","- F6 K2 O3 Ta2 -","- F24 K8 O12 Ta8 -","4","0.5","","Rogachev, D.L.; Kuznetsova, V.G.; Bogdanova, A.V.; Dikareva, D.; Porai-Koshits, M.A.","Struktura soli marinyaka","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1976","17","","129","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","149842","2020-10-21","18:00:00",""
"1528014","6.887","","4.399","","7.621","","90","","90","","90","","230.885","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ga Pt Tb -","- Ga Pt Tb -","- Ga4 Pt4 Tb4 -","4","0.5","","Schaefer, W.; Jansen, E.; Will, G.; Tietze-Jaensch, H.; Kotsanidis, P.A.; Yakinthos, J.K.","Crystallographic and magnetic structure of Tb Pt Ga","Journal of Alloys Compd.","1994","206","","225","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528027","8.3002","","3.9552","","5.9519","","90","","90","","90","","195.395","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ce Si -","- Ce Si -","- Ce4 Si4 -","4","0.5","","Schobinger-Papamantellos, P.; Buschow, K.H.J.","Incommensurate magnetic structure og Ce Si as observed by neutron diffraction","Journal of Magnetism and Magnetic Materials","1994","130","","242","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528070","7.188","","13.99","","7.416","","90","","90","","90","","745.754","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ce1.22 Ge4 Sc3 -","- Ce1.22 Ge4 Sc3 -","- Ce4.88 Ge16 Sc12 -","4","0.5","","Shpyrka, Z.M.; Bruskov, V.A.; Pecharskii, V.K.; Mokraya, I.R.; Bodak, O.I.; Zavalii, P.Yu.","Crystal structures of R1.22 Sc3 Ge4 (R= La, Ce, Pr, Nd and SM) and Ce3.66 Y.86 Ge4","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1990","26","","969","972","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528071","7.754","","14.99","","7.918","","90","","90","","90","","920.329","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ce3.66 Ge4 Y0.86 -","- Ce3.66 Ge4 Y0.86 -","- Ce14.64 Ge16 Y3.44 -","4","0.5","","Shpyrka, Z.M.; Mokraya, I.R.; Bruskov, V.A.; Bodak, O.I.; Zavalii, P.Yu.; Pecharskii, V.K.","Crystal structures of R1.22 Sc3 Ge4 (R= La, Ce, Pr, Nd and SM) and Ce3.66 Y.86 Ge4","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1990","26","","969","972","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528122","18.832","","6.586","","6.683","","90","","90","","90","","828.876","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cu Cl2 S4 N4","","- Cl2 Cu N4 S4 -","- Cl2 Cu N4 S4 -","- Cl8 Cu4 N16 S16 -","4","0.5","","Thewalt, U.","S4 N4 und seine Derivate: Darstellung und Roentgenstrukturanalyse von Cu Cl2 S4 N4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1980","462","","221","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528131","11.18","","5.776","","18.06","","90","","90","","90","","1166.24","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K3 (N (S O3)3) (H2 O)2","","- H4 K3 N O11 S3 -","- H4 K3 N O11 S3 -","- H16 K12 N4 O44 S12 -","4","0.5","","Tillack, J.V.; Kennard, C.H.L.","Crystal structure of potassium nitrilotrisulfonate dihydrate","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1970","1970","","1637","1640","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1528167","10.212","","5.581","","14.499","","90","","90","","90","","826.344","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K2 Ta2 O3 F6","","- F6 K2 O3 Ta2 -","- F6 K2 O3 Ta2 -","- F24 K8 O12 Ta8 -","4","0.5","","Vlasse, M.; Chaminade, J.P.; Pouchard, M.","La structure cristalline de L'oxyfluorotantalate de potassium K2 Ta2 O3 F6","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1976","99","","3","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","150121","2020-10-21","18:00:00",""
"1528198","16.0109","","6.4341","","8.043","","90","","90","","90","","828.556","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","W2 O3 (As O4)2","","- As2 O11 W2 -","- As2 O11 W2 -","- As8 O44 W8 -","4","0.5","","Westerlund-Sundbaeck, M.","The crystal structure of W2 O3 (As O4)2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","1429","1438","","","","","","","","","","","","","","","","","","","","","","has coordinates","150173","2020-10-21","18:00:00",""
"1528200","8.402","","5.378","","10.078","","90","","90","","90","","455.384","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Sn Sr2 -","- Sn Sr2 -","- Sn4 Sr8 -","4","0.5","","Widera, A.; Schaefer, H.","Das Zustandsdiagramm Sr-Sn und die Verbindung Sr3 Sn O","Journal of the Less-Common Metals","1981","77","","29","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528207","17.926","","3.631","","9.396","","90","","90","","90","","611.579","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","V4 O9","","- O9 V4 -","- O9 V4 -","- O36 V16 -","4","0.5","","Wilhelmi, K.A.; Waltersson, K.","On the crystal structure of a new vanadium oxide, V4 O9","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","3409","3411","","","","","","","","","","","","","","","","","","","","","","has coordinates","150190","2020-10-21","18:00:00",""
"1528309","5.5413","","3.498","","6.1546","","90","","90","","90","","119.297","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mn0.95 Ni0.05 As","","- As Mn0.95 Ni0.05 -","- As Mn0.95 Ni0.05 -","- As4 Mn3.8 Ni0.2 -","4","0.5","","Andreassen Delphin, I.L.; Selte, K.; Kjekshus, A.; Andresen, A.F.","Structural and magnetic properties of Cr1-t Nit As, Mn1-t Nit As and Fe1-t Nit As","Acta Chemica Scandinavica, Series A: (28,1974-)","1978","32","","179","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528310","5.5939","","3.5794","","6.1343","","90","","90","","90","","122.826","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cr0.98 Ni0.02 As","","- As Cr0.98 Ni0.02 -","- As Cr0.98 Ni0.02 -","- As4 Cr3.92 Ni0.08 -","4","0.5","","Andreassen Delphin, I.L.; Selte, K.; Kjekshus, A.; Andresen, A.F.","Structural and magnetic properties of Cr1-t Nit As, Mn1-t Nit As and Fe1-t Nit As","Acta Chemica Scandinavica, Series A: (28,1974-)","1978","32","","179","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528311","5.6173","","3.3932","","6.199","","90","","90","","90","","118.157","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cr0.95 Ni0.05 As","","- As Cr0.95 Ni0.05 -","- As Cr0.95 Ni0.05 -","- As4 Cr3.8 Ni0.2 -","4","0.5","","Andreassen Delphin, I.L.; Selte, K.; Andresen, A.F.; Kjekshus, A.","Structural and magnetic properties of Cr1-t Nit As, Mn1-t Nit As and Fe1-t Nit As","Acta Chemica Scandinavica, Series A: (28,1974-)","1978","32","","179","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528312","5.6011","","3.3954","","6.1928","","90","","90","","90","","117.775","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cr0.9 Ni0.1 As","","- As Cr0.9 Ni0.1 -","- As Cr0.9 Ni0.1 -","- As4 Cr3.6 Ni0.4 -","4","0.5","","Andreassen Delphin, I.L.; Selte, K.; Andresen, A.F.; Kjekshus, A.","Structural and magnetic properties of Cr1-t Nit As, Mn1-t Nit As and Fe1-t Nit As","Acta Chemica Scandinavica, Series A: (28,1974-)","1978","32","","179","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528321","8.873","","4.099","","5.483","","90","","90","","90","","199.419","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sb O F","","- F O Sb -","- F O Sb -","- F4 O4 Sb4 -","4","0.5","","Astroem, A.; Andersson, S.","The crystal structure of L-Sb O F","Journal of Solid State Chemistry","1973","6","","191","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528337","9.54","","8.669","","5.019","","90","","90","","90","","415.083","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Os O F5","","- F5 O Os -","- F5 O Os -","- F20 O4 Os4 -","4","0.5","","Bartlett, N.; Trotter, J.","The structure of the orthorhombic phase of osmium oxide pentafluoride, Os O F5","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1968","1968","","543","547","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528345","5.32056","","7.5029","","5.25902","","90","","90","","90","","209.938","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cd0.8 Na0.2 V O3","","- Cd0.8 Na0.2 O3 V -","- Cd0.8 Na0.2 O3 V -","- Cd3.2 Na0.8 O12 V4 -","4","0.5","","Belik, A.A.; Takayama-Muromachi, E.","High-pressure synthesis, crystal structures, and characterization of Cd V O3-delta and solid solutions Cd V O3 - Na V O3","Journal of Solid State Chemistry","2006","179","","1650","1658","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528346","5.33435","","7.5232","","5.26394","","90","","90","","90","","211.249","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cd V O3","","- Cd O3 V -","- Cd O3 V -","- Cd4 O12 V4 -","4","0.5","","Belik, A.A.; Takayama-Muromachi, E.","High-pressure synthesis, crystal structures, and characterization of Cd V O(3-delta) and solid solutions Cd V O3 - Na V O3","Journal of Solid State Chemistry","2006","179","","1650","1658","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528347","17.045","","6.66","","6.473","","90","","90","","90","","734.813","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K Pb P S4","","- K P Pb S4 -","- K P Pb S4 -","- K4 P4 Pb4 S16 -","4","0.5","","Belkyal, I.; El Azhari, M.; Wu, Y.-D.; Depmeier, W.; Hesse, K.F.; Bensch, W.","Synthesis and crystal structure of the new quaternary thiophosphate K Pb P S4","Solid State Sciences","2006","8","","59","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528350","10.3754","","3.8063","","10.3754","","90","","90","","90","","409.744","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Sc3 As2","","- As2 Sc3 -","- As2 Sc3 -","- As8 Sc12 -","4","0.5","","Berger, R.","X-ray powder profile refinement of the structure of pseudotetragonal Sc3 As2","Acta Chemica Scandinavica, Series A: (28,1974-)","1980","34","","463","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","150467","2020-10-21","18:00:00",""
"1528357","5.4584","","5.4577","","5.4837","","90","","90","","90","","163.361","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Nd0.7 Pb0.3 Mn O3","","- Mn Nd0.7 O3 Pb0.3 -","- Mn Nd0.7 O3 Pb0.3 -","- Mn4 Nd2.8 O12 Pb1.2 -","4","0.5","","Blanco, J.J.; Insausti, M.; de Muro, I.G.; Rojo, T.; Lezama, L.","Neutron diffraction and magnetic study of the Nd0.7 Pb0.3 Mn(1-x) Fe(x) O3","Journal of Solid State Chemistry","2006","179","","623","631","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528358","5.4597","","5.4583","","5.4864","","90","","90","","90","","163.498","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Nd0.7 Pb0.3 Mn0.9 Fe0.1 O3","","- Fe0.1 Mn0.9 Nd0.7 O3 Pb0.3 -","- Fe0.1 Mn0.9 Nd0.7 O3 Pb0.3 -","- Fe0.4 Mn3.6 Nd2.8 O12 Pb1.2 -","4","0.5","","Blanco, J.J.; Insausti, M.; de Muro, I.G.; Lezama, L.; Rojo, T.","Neutron diffraction and magnetic study of the Nd0.7 Pb0.3 Mn(1-x) Fe(x) O3","Journal of Solid State Chemistry","2006","179","","623","631","","","","","","","","","","","","","","","","","","","","","","has coordinates","150487","2020-10-21","18:00:00",""
"1528384","6.343","","3.451","","8.582","","90","","90","","90","","187.857","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Mo Ge2","","- Ge2 Mo -","- Ge2 Mo -","- Ge8 Mo4 -","4","0.5","","Brown, A.","Structure data for some arsenic- and germanium-rich compounds of molybdenum","Nature (London)","1965","206","","502","503","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528393","9.7475","","7.4403","","6.5056","","90","","90","","90","","471.814","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Ti4.99 Cu.02) P3","","- Cu0.02 P3 Ti4.99 -","- Cu0.02 P3 Ti4.98 -","- Cu0.08 P12 Ti19.92 -","4","0.5","","Carrillo-Cabrera, W.; Lundstroem, T.","Crystal Structure Refinement of alpha-Ti5 P3","Acta Chemica Scandinavica, Series A: (28,1974-)","1980","34","","415","419","","","","","","","","","","","","","","","","","","","","","","has coordinates","150559","2020-10-21","18:00:00",""
"1528394","5.4198","","16.6219","","5.517","","90","","90","","90","","497.012","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La0.6 Sr0.4 Mn O2.5","","- La0.6 Mn O2.5 Sr0.4 -","- La0.6 Mn O2.5 Sr0.4 -","- La4.8 Mn8 O20 Sr3.2 -","8","1","","Casey, P.S.; Barker, D.; Hayward, M.A.","Charge and structural ordering in the brownmillerite phases: La(1-x) Sr(x) Mn O2.5 (0.2 < x < 0.4)","Journal of Solid State Chemistry","2006","179","","1375","1382","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528403","7.524","","9.574","","7.45","","90","","90","","90","","536.659","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li Ti O As O4","","- As Li O5 Ti -","- As Li O5 Ti -","- As4 Li4 O20 Ti4 -","4","0.5","","Chakir, M.; El Jazouli, A.; Chaminade, J.P.; Bouree, F.; de Waal, D.","New process of preparation, x-ray characterisation, structure and vibrational studies of a solid solution Li Ti O As(1-x) P(x) O4 (0 <= x <= 1)","Journal of Solid State Chemistry","2006","179","","18","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528404","7.463","","6.462","","7.351","","90","","90","","90","","354.509","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Li Ti O As0.5 P0.5 O4","","- As0.5 Li O5 P0.5 Ti -","- As0.5 Li O5 P0.5 Ti -","- As2 Li4 O20 P2 Ti4 -","4","0.5","","Chakir, M.; de Waal, D.; El Jazouli, A.; Bouree, F.; Chaminade, J.P.","New process of preparation, x-ray characterisation, structure and vibrational studies of a solid solution Li Ti O As(1-x) P(x) O4 (0 <= x <= 1)","Journal of Solid State Chemistry","2006","179","","18","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528405","7.401","","6.375","","7.235","","90","","90","","90","","341.357","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li Ti O P O4","","- Li O5 P Ti -","- Li O5 P Ti -","- Li4 O20 P4 Ti4 -","4","0.5","","Chakir, M.; El Jazouli, A.; de Waal, D.; Chaminade, J.P.; Bouree, F.","New process of preparation, x-ray characterisation, structure and vibrational studies of a solid solution Li Ti O As(1-x) P(x) O4 (0 <= x <= 1)","Journal of Solid State Chemistry","2006","179","","18","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528448","9.502","","3.8802","","12.305","","90","","90","","90","","453.681","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Mn Bi S2 Cl","","- Bi Cl Mn S2 -","- Bi Cl Mn S2 -","- Bi4 Cl4 Mn4 S8 -","4","0.5","","Doussier, C.; Andre, G.; Moelo, Y.; Leone, P.; Janod, E.","Magnetic study of two isotypic manganese chloro-sulfides: Mn Sb S2 Cl and the new compound Mn Bi S2 Cl","Journal of Solid State Chemistry","2006","179","","486","491","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528450","9.995","","4.0275","","12.928","","90","","90","","90","","520.415","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Mn Bi Se2 Br","","- Bi Br Mn Se2 -","- Bi Br Mn Se2 -","- Bi4 Br4 Mn4 Se8 -","4","0.5","","Doussier, C.; Moelo, Y.; Leone, P.","Synthesis and crystal structures of four new bromo-chalcogenides: Mn Sb S2 Br, Mn Bi Se2 Br and two allotropic forms of Mn Sb Se2 Br. Crystal chemistry of the Mn Pn Q2 X family (Pn: Sb, Bi; Q: S, Se; X: Cl, Br, I)","Solid State Sciences","2006","8","","652","659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528451","10.005","","3.972","","12.871","","90","","90","","90","","511.492","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Mn Sb Se2 Br","","- Br Mn Sb Se2 -","- Br Mn Sb Se2 -","- Br4 Mn4 Sb4 Se8 -","4","0.5","","Doussier, C.; Moelo, Y.; Leone, P.","Synthesis and crystal structures of four new bromo-chalcogenides: Mn Sb S2 Br, Mn Bi Se2 Br and two allotropic forms of Mn Sb Se2 Br. Crystal chemistry of the Mn Pn Q2 X family (Pn: Sb, Bi; Q: S, Se; X: Cl, Br, I)","Solid State Sciences","2006","8","","652","659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528458","11.38","","4.28","","9.19","","90","","90","","90","","447.612","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sr Br2 H2 O","","- Br2 H2 O Sr -","- Br2 H2 O Sr -","- Br8 H8 O4 Sr4 -","4","0.5","","Dyke, M.; Sass, R.L.","The Crystal Structure of Strontium Bromide Monohydrate","Journal of Physical Chemistry","1964","68","","3259","3262","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1528509","6.1869","","11.2066","","7.1484","","90","","90","","90","","495.628","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Y Cu O2.5","","- Cu O2.5 Y -","- Cu O2.5 Y -","- Cu8 O20 Y8 -","8","1","","Garlea, V.O.; Bordet, P.; Darie, C.; Isnard, O.","Synthesis and neutron diffraction structural analysis of oxidized delafossite Y Cu O2.5","Solid State Sciences","2006","8","","457","461","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528545","8.0436","","4.8163","","8.4547","","90","","90","","90","","327.538","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr Li Sb","","- Li Sb Sr -","- Li Sb Sr -","- Li4 Sb4 Sr4 -","4","0.5","","Gupta, S.; Ganguli, A.K.","Synthesis, structure and properties of a new Zintl phase: Sr Li Sb","Journal of Solid State Chemistry","2006","179","","1318","1322","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528563","5.81","","6.97","","4.84","","90","","90","","90","","195.999","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Tl F3","","- F3 Tl -","- F3 Tl -","- F12 Tl4 -","4","0.5","","Hebecker, C.","Zur Kristallstruktur von Indium- und Thalliumtrifluorid","Naturwissenschaften","1966","53","","104","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528578","5.52182","","7.80614","","5.52584","","90","","90","","90","","238.186","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La Ni0.53 V0.47 O3","","- La Ni0.53 O3 V0.47 -","- La Ni0.529 O3 V0.471 -","- La4 Ni2.116 O12 V1.884 -","4","0.5","","Holman, K.L.; Huang, Q.; Morosan, E.; Klimczuk, T.; Trzebiatowski, K.; Bos, J.W.G.; Lynn, J.W.; Cava, R.J.","Synthesis and properties of the double perovskites La2 Ni V O6, La2 Co V O6, and La2 Co Ti O6","Journal of Solid State Chemistry","2007","180","","75","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528579","5.5402","","7.8247","","5.5429","","90","","90","","90","","240.287","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La Co0.55 V0.45 O3","","- Co0.55 La O3 V0.45 -","- Co0.553 La O3 V0.447 -","- Co2.212 La4 O12 V1.788 -","4","0.5","","Holman, K.L.; Huang, Q.; Klimczuk, T.; Lynn, J.W.; Trzebiatowski, K.; Bos, J.W.G.; Cava, R.J.; Morosan, E.","Synthesis and properties of the double perovskites La2 Ni V O6, La2 Co V O6, and La2 Co Ti O6","Journal of Solid State Chemistry","2007","180","","75","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528608","7.0361","","9.4574","","6.3833","","90","","90","","90","","424.765","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Gd Sc S3","","- Gd S3 Sc -","- Gd S3 Sc -","- Gd4 S12 Sc4 -","4","0.5","","Jin Gengbang; Choi Eunsang; Albrecht-Schmitt, T.E.","Syntheses, structures, magnetism, and optical properties of gadolinium scandium chalcogenides","Journal of Solid State Chemistry","2009","182","","1075","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528681","6.9801","","13.389","","14.2348","","90","","90","","90","","1330.33","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K6 (V O)2 (V2 O3)2 (P O4)4 (P2 O7)","","- K6 O31 P6 V6 -","- K6 O31 P6 V6 -","- K12 O62 P12 V12 -","2","0.25","","Leclaire, A.; Raveau, B.","The actual structure of K6 (V O)2 (V2 O3)2 (P O4)4 (P2 O7): Ordered distribution of P2 O7 groups and charge ordering of vanadium","Journal of Solid State Chemistry","2006","179","","205","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","151224","2020-10-21","18:00:00",""
"1528697","8.108","","4.944","","9.17","","90","","90","","90","","367.588","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca Sr Si","","- Ca Si Sr -","- Ca Si Sr -","- Ca4 Si4 Sr4 -","4","0.5","","Liu, S.; Corbett, J.D.","Synthesis, structure, and properties of four ternary compounds Ca Sr Tt, Tt = Si, Ge, Sn, Pb","Journal of Solid State Chemistry","2006","179","","830","835","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528698","8.124","","4.949","","9.184","","90","","90","","90","","369.249","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca Sr Ge","","- Ca Ge Sr -","- Ca Ge Sr -","- Ca4 Ge4 Sr4 -","4","0.5","","Liu, S.; Corbett, J.D.","Synthesis, structure, and properties of four ternary compounds Ca Sr Tt, Tt = Si, Ge, Sn, Pb","Journal of Solid State Chemistry","2006","179","","830","835","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528699","8.421","","5.168","","9.685","","90","","90","","90","","421.489","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca Sr Sn","","- Ca Sn Sr -","- Ca Sn Sr -","- Ca4 Sn4 Sr4 -","4","0.5","","Liu, S.; Corbett, J.D.","Synthesis, structure, and properties of four ternary compounds Ca Sr Tt, Tt = Si, Ge, Sn, Pb","Journal of Solid State Chemistry","2006","179","","830","835","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528700","8.509","","5.189","","9.74","","90","","90","","90","","430.052","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca Sr Pb","","- Ca Pb Sr -","- Ca Pb Sr -","- Ca4 Pb4 Sr4 -","4","0.5","","Liu, S.; Corbett, J.D.","Synthesis, structure, and properties of four ternary compounds Ca Sr Tt, Tt = Si, Ge, Sn, Pb","Journal of Solid State Chemistry","2006","179","","830","835","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528715","7.978","","6.332","","8.332","","90","","90","","90","","420.905","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs (S C N)","","- C Cs N S -","- C Cs N S -","- C4 Cs4 N4 S4 -","4","0.5","","Manolatos, S.; Tillinger, M.; Post, B.","Polymorphism in cesium thiocyanate","Journal of Solid State Chemistry","1973","7","","31","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528759","7.91337","","4.49067","","13.84396","","90","","90","","90","","491.964","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li K (B H4)2","","- B2 H8 K Li -","- B2 H8 K Li -","- B8 H32 K4 Li4 -","4","0.5","","Nickels, E.A.; Johnson, S.R.; Jones, M.O.; David, W.I.F.; Sommariva, M.; Lowton, R.L.; Edwards, P.P.","Tuning the decomposition temperature in complex hydrides: synthesis of a mixed alkali metal borohydride","Angew. Chem. Int. ed.","2008","47","","2817","2819","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528765","8.62","","5.84","","7.35","","90","","90","","90","","370.005","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K S O3 F","","- F K O3 S -","- F K O3 S -","- F4 K4 O12 S4 -","4","0.5","","O'Sullivan, K.; Thompson, R.C.; Trotter, J.","The Crystal Structure of Potassium Fluorosulfate","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1967","1967","","2024","2027","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528808","13.5951","","17.29544","","10.03813","","90","","90","","90","","2360.3","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pb3 Mn7 O15","","- Mn7 O15 Pb3 -","- Mn7 O15 Pb3 -","- Mn56 O120 Pb24 -","8","1","","Rasch, J.C.E.; Grimmer, H.; Schefer, J.; Sheptyakov, D.V.; Keller, L.; Boehm, M.; Petrakovskii, G.A.; Gozzo, F.; Volkov, N.V.; Sablina, K.A.; Conder, K.; Loeffler, J.E.","Structural properties of Pb3 Mn7 O15 determined from high-resolution synchrotron powder diffraction","Journal of Solid State Chemistry","2009","182","","1188","1192","","","","","","","","","","","","","","","","","","","","","","has coordinates","151520","2020-10-21","18:00:00",""
"1528819","9.2737","","2.8215","","11.1701","","90","","90","","90","","292.274","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na Ru2 O4","","- Na O4 Ru2 -","- Na O4 Ru2 -","- Na4 O16 Ru8 -","4","0.5","","Regan, K.A.; Ramirez, A.P.; Huang, Q.; Lee, M.; Cava, J.R.","Structure and magnetism of Na Ru2 O4 and Na2.7 Ru4 O9","Journal of Solid State Chemistry","2006","179","","195","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528825","8.624","","6.715","","4.744","","90","","90","","90","","274.726","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Co S O4","","- Co O4 S -","- Co O4 S -","- Co4 O16 S4 -","4","0.5","","Rentzeperis, P.J.","Die Kristallstruktur der beiden Modifikationen von wasserfreiem Co S O4","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","1958","1958","","226","233","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528837","8.516","","5.399","","6.989","","90","","90","","90","","321.339","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pb (S O4)","","- O4 Pb S -","- O4 Pb S -","- O16 Pb4 S4 -","4","0.5","","Sahl, K.","Die Verfeinerung der Kristallstrukutren von Pb Cl2 (Cotunnit), Ba Cl2, Pb S O4 (Anglesit) und Ba S O4 (Baryt)","Beitraege zur Mineralogie und Petrographie (-11,1965)","1963","9","","111","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528841","5.4312","","7.6825","","5.4414","","90","","90","","90","","227.043","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pr0.79 Na0.21 Mn O3","","- Mn Na0.21 O3 Pr0.79 -","- Mn Na0.21 O3 Pr0.79 -","- Mn4 Na0.84 O12 Pr3.16 -","4","0.5","","Sanchez-Andujar, M.; Yanez-Vilar, S.; Castro-Garcia, S.; Senaris Rodriguez, M.A.","Charge ordering and dielectric properties in the near half-doped Pr(0.79) Na(0.21) Mn O3 perovskite","Journal of Solid State Chemistry","2008","181","","1354","1360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528852","6.968","","3.778","","5.291","","90","","90","","90","","139.286","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Zr Si","","- Si Zr -","- Si Zr -","- Si4 Zr4 -","4","0.5","","Schachner, H.; Nowotny, H.; Kudielka, H.","Die Kristallstrukturen von Zr Si und Zr Si2","Monatshefte fuer Chemie (-108,1977)","1954","85","","1140","1153","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528939","8.437","","6.796","","8.06","","90","","90","","90","","462.143","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs P O2 F2","","- Cs F2 O2 P -","- Cs F2 O2 P -","- Cs4 F8 O8 P4 -","4","0.5","","Trotter, J.; Withlow, S.H.","The Structures of Cesium and Rubidium Difluorophosphates","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1967","1967","","1383","1386","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528971","7.092","","13.52","","7.166","","90","","90","","90","","687.104","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Hf5 Ge4","","- Ge4 Hf5 -","- Ge4 Hf5 -","- Ge16 Hf20 -","4","0.5","","Warczok, P.; Mittendorfer, F.; Kresse, G.; Ipser, H.; Kroupa, A.; Richter, K.W.","Thermodynamic modelling of the partially ordered solid solution Hf(5-x) Nb(x) Ge4 supported by ab initio calculations","Solid State Sciences","2007","9","","159","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","151858","2020-10-21","18:00:00",""
"1528972","6.973","","13.506","","7.082","","90","","90","","90","","666.964","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Hf4 Nb Ge4","","- Ge4 Hf4 Nb -","- Ge4 Hf4 Nb -","- Ge16 Hf16 Nb4 -","4","0.5","","Warczok, P.; Ipser, H.; Mittendorfer, F.; Kroupa, A.; Kresse, G.; Richter, K.W.","Thermodynamic modelling of the partially ordered solid solution Hf(5-x) Nb(x) Ge4 supported by ab initio calculations","Solid State Sciences","2007","9","","159","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528973","6.816","","13.23","","6.96","","90","","90","","90","","627.623","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Hf2 Nb3 Ge4","","- Ge4 Hf2 Nb3 -","- Ge4 Hf2 Nb3 -","- Ge16 Hf8 Nb12 -","4","0.5","","Warczok, P.; Mittendorfer, F.; Kresse, G.; Kroupa, A.; Richter, K.W.; Ipser, H.","Thermodynamic modelling of the partially ordered solid solution Hf(5-x) Nb(x) Ge4 supported by ab initio calculations","Solid State Sciences","2007","9","","159","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","151860","2020-10-21","18:00:00",""
"1528974","6.754","","13.197","","6.829","","90","","90","","90","","608.686","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Nb5 Ge4","","- Ge4 Nb5 -","- Ge4 Nb5 -","- Ge16 Nb20 -","4","0.5","","Warczok, P.; Mittendorfer, F.; Kresse, G.; Kroupa, A.; Ipser, H.; Richter, K.W.","Thermodynamic modelling of the partially ordered solid solution Hf(5-x) Nb(x) Ge4 supported by ab initio calculations","Solid State Sciences","2007","9","","159","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","151861","2020-10-21","18:00:00",""
"1528975","6.907","","13.338","","7.024","","90","","90","","90","","647.09","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Hf3 Nb2 Ge4","","- Ge4 Hf3 Nb2 -","- Ge4 Hf3 Nb2 -","- Ge16 Hf12 Nb8 -","4","0.5","","Warczok, P.; Mittendorfer, F.; Richter, K.W.; Kroupa, A.; Ipser, H.; Kresse, G.","Thermodynamic modelling of the partially ordered solid solution Hf(5-x) Nb(x) Ge4 supported by ab initio calculations","Solid State Sciences","2007","9","","159","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","151862","2020-10-21","18:00:00",""
"1529005","12.0808","","5.60421","","7.12971","","90","","90","","90","","482.705","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sr Dy2 Cu O5","","- Cu Dy2 O5 Sr -","- Cu Dy2 O5 Sr -","- Cu4 Dy8 O20 Sr4 -","4","0.5","","Wong-Ng, W.; Yang, Z.; Haugan, T.; Kaduk, J.A.; Jang, M.H.; Young, R.A.; Luong, M.","Crystal chemistry and crystallography of the Sr R2 Cu O5 (R = lanthanides) phases","Journal of Solid State Chemistry","2006","179","","1588","1595","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529006","12.03727","","5.58947","","7.10169","","90","","90","","90","","477.816","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sr Ho2 Cu O5","","- Cu Ho2 O5 Sr -","- Cu Ho2 O5 Sr -","- Cu4 Ho8 O20 Sr4 -","4","0.5","","Wong-Ng, W.; Haugan, T.; Yang, Z.; Young, R.A.; Kaduk, J.A.; Luong, M.; Jang, M.H.","Crystal chemistry and crystallography of the Sr R2 Cu O5 (R = lanthanides) phases","Journal of Solid State Chemistry","2006","179","","1588","1595","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529032","5.7247","","7.635","","5.475","","90","","90","","90","","239.302","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Nd2 (Ti Cu) O6","","- Cu Nd2 O6 Ti -","- Cu Nd2 O6 Ti -","- Cu2 Nd4 O12 Ti2 -","2","0.25","","Yang, Z.; Wong-Ng, W.; Kaduk, J.A.; Jang, M.; Liu, G.","Phase equilibria and crystal chemistry of the R-Cu-Ti-O systems (R = lanthanides and Y)","Journal of Solid State Chemistry","2009","182","","1142","1148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529033","5.74812","","7.56025","","5.41621","","90","","90","","90","","235.373","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sm2 (Ti Cu) O6","","- Cu O6 Sm2 Ti -","- Cu O6 Sm2 Ti -","- Cu2 O12 Sm4 Ti2 -","2","0.25","","Yang, Z.; Liu, G.; Wong-Ng, W.; Kaduk, J.A.; Jang, M.","Phase equilibria and crystal chemistry of the R-Cu-Ti-O systems (R = lanthanides and Y)","Journal of Solid State Chemistry","2009","182","","1142","1148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529034","5.75444","","7.54182","","5.38684","","90","","90","","90","","233.783","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Eu2 (Ti Cu) O6","","- Cu Eu2 O6 Ti -","- Cu Eu2 O6 Ti -","- Cu2 Eu4 O12 Ti2 -","2","0.25","","Yang, Z.; Kaduk, J.A.; Wong-Ng, W.; Jang, M.; Liu, G.","Phase equilibria and crystal chemistry of the R-Cu-Ti-O systems (R = lanthanides and Y)","Journal of Solid State Chemistry","2009","182","","1142","1148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529035","5.75742","","7.52298","","5.36018","","90","","90","","90","","232.165","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Gd2 (Ti Cu) O6","","- Cu Gd2 O6 Ti -","- Cu Gd2 O6 Ti -","- Cu2 Gd4 O12 Ti2 -","2","0.25","","Yang, Z.; Wong-Ng, W.; Kaduk, J.A.; Liu, G.; Jang, M.","Phase equilibria and crystal chemistry of the R-Cu-Ti-O systems (R = lanthanides and Y)","Journal of Solid State Chemistry","2009","182","","1142","1148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529040","5.4698","","7.4157","","5.283","","90","","90","","90","","214.291","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Tm0.5 Ca0.5 Mn O3","","- Ca0.5 Mn O3 Tm0.5 -","- Ca0.5 Mn O3 Tm0.5 -","- Ca2 Mn4 O12 Tm2 -","4","0.5","","Yoshii, K.; Abe, H.; Ikeda, N.","Structure, magnetism and transport of the perovskite manganites Ln0.5 Ca0.5 Mn O3 (Ln = Ho, Er, Tm, Yb, and Lu)","Journal of Solid State Chemistry","2005","178","","3615","3623","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529122","11.182","","4.0348","","10.971","","90","","90","","90","","494.98","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd2 Se3 -","- Gd2 Se3 -","- Gd8 Se12 -","4","0.5","","Folchnandt, M.; Schneck, C.; Schleid, T.","Ueber Sesquiselenide der Lanthanoide: Einkristalle von Ce2 Se3 im C-, Gd2 Se3 im U- und Lu2 Se3 im Z-Typ","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","149","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529129","5.5523","","7.9716","","5.5741","","90","","90","","90","","246.714","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","La (Mn O2.78)","","- La Mn O2.78 -","- La Mn O2.78 -","- La4 Mn4 O11.12 -","4","0.5","","Hansteen, O.H.; Breard, Y.; Fjellvag, H.; Hauback, B.C.","Divalent manganese in reduced La Mn O3-d - effect of oxygen nonstoichiometry on structural and magnetic properties","Solid State Sciences","2004","6","","279","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529218","6.87295","0.00014","16.66399","0.00021","11.85043","0.00017","90","","90","","90","","1357.24","0.04","300","","300","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","catena-bis(2-thiobarbiturato)-diaqua-barium","- C8 H6 Ba N4 O6 S2 -","- C8 H10 Ba N4 O6 S2 -","- C32 H40 Ba4 N16 O24 S8 -","4","0.5","","Golovnev, Nikolay; Molokeev, Maxim","Crystal structures of two barium 2-thiobarbiturate complexes","Journal of Structural Chemistry","2014","55","5","871","","10.1134/S0022476614050114","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.096","3.881","","","","","","","has coordinates,has Fobs","189186","2020-10-21","18:00:00",""
"1529267","7.24433","0.0001","7.482292","0.000094","10.42376","0.00013","90","","90","","90","","565.011","0.013","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","CsFe2F6","- Cs F6 Fe2 -","- Cs F6 Fe2 -","- Cs4 F24 Fe8 -","4","0.5","","Molokeev, Maxim; Bogdanov, Evgeniy; Misjul', Sergey; Tressaud, Alain; Flerov, Igor","Crystal structure and phase transition mechanisms in CsFe2F6","Journal of Solid State Chemistry","2013","200","0","157","","10.1016/j.jssc.2013.01.038","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.31","","","","2.065","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529485","13.59385","0.00007","17.30269","0.00013","10.03054","0.00007","90","","90","","90","","2359.29","0.03","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Mn7 O15 Pb3 -","- Mn7 O15 Pb3 -","- Mn56 O120 Pb24 -","8","1","","N.V. Volkov; L.A. Solovyov; E.V. Eremin; K.A. Sablina; S.V. Misjul; M.S. Molokeev; A.I. Zaitsev; M.V. Gorev; A.F. Bovina; N.V. Mihashenok","Temperature-dependent features of Pb3Mn7O15 crystal structure","Physica B: Condensed Matter","2012","407","4","689","693","10.1016/j.physb.2011.11.058","powder diffraction","x-ray","1.5406","","","0.02609","","","","","","","0.02829","1.32693","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529499","9.83173","0.00014","3.266226","0.000048","11.49502","0.00018","90","","90","","90","","369.136","0.01","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Er0.04 In7.96 O16 Sr4 -","- Er0.04 In7.96 O16 Sr4 -","- Er0.04 In7.96 O16 Sr4 -","1","0.125","","Ming Guan; Hong Zheng; Lefu Mei; Maxim S. Molokeev; Jing Xie; Tao Yang; Xiaowen Wu; Saifang Huang; Zhaohui Huang","Preparation, Structure and Up-conversion Luminescence of Yb3+/Er3+ co-doped SrIn2O4 Phosphors","Journal of the American Ceramic Society","2015","98","4","1182","1187","10.1111/jace.13415","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.67","1.422","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529500","9.85272","0.00011","3.274175","0.000038","11.52212","0.00013","90","","90","","90","","371.698","0.007","300","","300","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Er0.04 In7.56 O16 Sr4 Yb0.4 -","- Er0.04 In7.56 O16 Sr4 Yb0.4 -","- Er0.04 In7.56 O16 Sr4 Yb0.4 -","1","0.125","","Ming Guan; Hong Zheng; Lefu Mei; Maxim S. Molokeev; Jing Xie; Tao Yang; Xiaowen Wu; Saifang Huang; Zhaohui Huang","Preparation, Structure and Up-conversion Luminescence of Yb3+/Er3+ co-doped SrIn2O4 Phosphors","Journal of the American Ceramic Society","2015","98","4","1182","1187","10.1111/jace.13415","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.73","1.056","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529522","10.872","","6.2882","","5.1696","","90","","90","","90","","353.421","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li3 Zn.5 Ge O4","","- Ge Li3 O4 Zn0.5 -","- Ge Li2.76 O4 Zn0.51 -","- Ge4 Li11.04 O16 Zn2.04 -","4","0.5","","Abrahams, I.; West, A.R.; Bruce, P.G.; David, W.I.F.","Structure Determination of LISICON Solid Solutions by Powder Neutron Diffraction","Journal of Solid State Chemistry","1988","75","","390","396","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529523","10.8845","","6.2683","","5.1551","","90","","90","","90","","351.719","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li3.5 Zn.25 Ge O4","","- Ge Li3.16 O4 Zn0.24 -","- Ge Li3.16 O4 Zn0.24 -","- Ge4 Li12.64 O16 Zn0.96 -","4","0.5","","Abrahams, I.; Bruce, P.G.; West, A.R.; David, W.I.F.","Structure Determination of LISICON Solid Solutions by Powder Neutron Diffraction","Journal of Solid State Chemistry","1988","75","","390","396","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529526","14","","6.2883","","11.466","","90","","90","","90","","1009.42","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb Te F5","","- F5 Rb Te -","- F5 Rb Te -","- F40 Rb8 Te8 -","8","1","","Abriel, W.","The Crystal Structure of Rb Te F5","Materials Research Bulletin","1989","24","","1515","1519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529706","8.82","","6.09","","4.52","","90","","90","","90","","242.786","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Cl F3 -","- Cl F3 -","- Cl4 F12 -","4","0.5","","Burbank, R.D.; Bensey, F.","The structures of the interhalogen compounds. I. Chlorine trifluoride at -120 C","Journal of Chemical Physics","1953","21","","602","608","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529756","7.3233","","5.7745","","11.4124","","90","","90","","90","","482.612","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ba2 Re O5","","- Ba2 O5 Re -","- Ba2 O5 Re -","- Ba8 O20 Re4 -","4","0.5","","Cheetham, A.K.; Thomas, D.M.","An investigation of the low oxidation state chemistry of rhenium in the Ba O - Re - Re2 O7 phase diagram","Journal of Solid State Chemistry","1987","71","","61","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529818","27.83","","16.13","","6.11","","90","","90","","90","","2742.77","","","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","Sn2 Br4 (S C (N H2)2)5 (H2 O)2","","- C5 H24 Br4 N10 O2 S5 Sn2 -","- C5 Br4 N10 O2 S5 Sn2 -","- C20 Br16 N40 O8 S20 Sn8 -","4","0.5","","Donaldson, J.D.; Grimes, S.M.; Calogero, S.; Russo, U.; Valle, G.; Smith, P.J.","X-ray crystal structure determinations of two thiourea tin(II) complexes: Diacetobis(thiourea)tin(II) and ditin(II)tetrabromopenta(thiourea)dihydrate","Inorganica Chimica Acta","1984","84","","173","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","154454","2020-10-21","18:00:00",""
"1529845","10.161","","5.9187","","7.1885","","90","","90","","90","","432.316","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na (Te F5)","","- F5 Na Te -","- F5 Na Te -","- F20 Na4 Te4 -","4","0.5","","du Bois, A.; Abriel, W.","The Crystal Structure of Na Te F5","Materials Research Bulletin","1989","24","","633","638","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529888","8.201","0.0016","28.502","0.006","9.712","0.0019","90","","90","","90","","2270.1","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H18 Na2 O12 P2 -","- C12 H18 Na2 O12 P2 -","- C48 H72 Na8 O48 P8 -","4","0.5","","Li, Yufeng; Jian, Fangfang","Molecular Structures of the Products of a Diphosphonate Ester Building Block with Lewis Bases.","Molecules (Basel, Switzerland)","2015","20","8","14435","14450","10.3390/molecules200814435","","","0.71073","MoKα","","0.1459","0.0962","","","0.2405","0.2891","","","","","","1.065","","","","has coordinates","183088","2020-10-21","18:00:00",""
"1529924","16.23","","5.51","","10.16","","90","","90","","90","","908.581","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Ca2 Al3 (Si2 O7) (Si O4) O (O H)","","- Al3 Ca2 H O13 Si3 -","- Al3 Ca2 O13 Si3 -","- Al12 Ca8 O52 Si12 -","4","0.5","","Fesenko, E.G.; Rumanova, I.M.; Belov, N.V.","The crystal structure of zoisite","Kristallografiya","1956","1","","171","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529944","20.05","","7.291","","7.834","","90","","90","","90","","1145.21","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","(C (N H2)3)2 Al F5 (H2 O)2","","- C2 H16 Al F5 N6 O2 -","- C2 H16 Al F5 N6 O2 -","- C8 H64 Al4 F20 N24 O8 -","4","0.5","","Fourquet, J.L.; Plet, F.; de Pape, R.","La structure cristalline de (C (N H2)3)2 Al F5 (H2 O)2","Revue de Chimie Minerale","1986","23","","183","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","186641","2020-10-21","18:00:00",""
"1529981","22.563","","4.315","","14.934","","90","","90","","90","","1453.96","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sn5 Br4 F6","","- Br4 F6 Sn5 -","- Br4 F6 Sn5 -","- Br16 F24 Sn20 -","4","0.5","","Geneys, C.; Vilminot, S.","Etude structurale du fluorobromure d'etain (II), Sn5 Br4 F6","Revue de Chimie Minerale","1977","14","","395","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","154926","2020-10-21","18:00:00",""
"1530023","8.899","","3.605","","13.506","","90","","90","","90","","433.285","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sn1.2 Ti.8 S3","","- S3 Sn1.2 Ti0.8 -","- S3 Sn1.206 Ti0.794 -","- S12 Sn4.824 Ti3.176 -","4","0.5","","Gressier, P.; Meerschaut, A.; Rouxel, J.","Structural determination and transport properties of a new phase with approximate composition Sn1.2 Ti.8 S3","Materials Research Bulletin","1987","22","","1573","1580","","","","","","","","","","","","","","","","","","","","","","has coordinates","154982","2020-10-21","18:00:00",""
"1530053","10.147","","5.909","","4.692","","90","","90","","90","","281.326","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li Mg P O4","","- Li Mg O4 P -","- Li Mg O4 P -","- Li4 Mg4 O16 P4 -","4","0.5","","Hanic, F.; Handlovic, M.; Burdova, K.; Majling, J.","Crystal structure of lithium magnesium phosphate, Li Mg P O4: crystal chemistry of the olivine-type compounds","Journal of Crystallographic and Spectroscopic Research","1982","12","","99","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530095","12.537","","15.474","","12.534","","90","","90","","90","","2431.56","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Ga2 (Ga2 Br6)","","- Br6 Ga4 -","- Br6 Ga3.98 -","- Br48 Ga31.84 -","8","1","","Hoenle, W.; Simon, A.; Gerlach, G.; Weppner, W.","Preparation, Crystal Structure, and ionic conductivity of Digallium tribromide, Ga2 Br3","Journal of Solid State Chemistry","1986","61","","171","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","155067","2020-10-21","18:00:00",""
"1530096","15.137","","9.73","","6.132","","90","","90","","90","","903.139","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Li Ga Cl3","","- Cl3 Ga Li -","- Cl3 Ga Li -","- Cl24 Ga8 Li8 -","8","1","","Hoenle, W.; Simon, A.; Miller, G.","Preparation, Crystal Structures, and Electronic Properties of Li Ga Cl3 and Li Ga I3","Journal of Solid State Chemistry","1988","75","","147","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530114","8.972","","6.854","","5.031","","90","","90","","90","","309.377","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Na (Fe.5 Zn.5) (P O4)","","- Fe0.5 Na O4 P Zn0.5 -","- Fe0.5 Na O4 P Zn0.5 -","- Fe2 Na4 O16 P4 Zn2 -","4","0.5","","Kabalov, Yu.K.; Belov, N.B.; Simonov, M.A.","The crystal structure of Na (Fe,Zn) (P O4)","Doklady Akademii Nauk SSSR","1974","216","","1034","1036","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530157","13.53","","9.55","","6.96","","90","","90","","90","","899.312","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K2 (Ru Cl5 H2 O)","","- Cl5 H2 K2 O Ru -","- Cl5 K2 O Ru -","- Cl20 K8 O4 Ru4 -","4","0.5","","Khodashova, T.S.","About the structure of K2 (Ru Cl5 H2 O)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1960","1","","333","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530185","13.953","","10.086","","7.152","","90","","90","","90","","1006.5","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(N H4)2 (In Cl5 (H2 O))","","- Cl5 H10 In N2 O -","- Cl5 H10 In N2 O -","- Cl20 H40 In4 N8 O4 -","4","0.5","","Knop, O.; Cameron, T.S.; Adhikesavalu, D.; Jenkins, J.A.; Vincent, B.R.","Crystal chemistry of complex indium(III) and other M(III) halides, with a discussion of M-Cl bond lengths in complex M(III) chlorides and of the structures of and hydrogen bonding in (N H4)2 (In Cl5 (H2 O)) Etc.","Canadian Journal of Chemistry","1987","65","","1527","1556","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530194","9.52","","7.48","","6.98","","90","","90","","90","","497.043","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Na2 Pr (Ge O4) (O H)","","- Ge H Na2 O5 Pr -","- Ge Na2 O5 Pr -","- Ge4 Na8 O20 Pr4 -","4","0.5","","Kornev, A.N.; Maksimov, B.A.; Klientova, G.P.; Ilyukhin, V.V.; Belov, N.B.","Crystalline structure of Na2 Pr Ge O4 (O H)","Doklady Akademii Nauk SSSR","1972","206","","1109","1111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530203","8.7","","6.03","","12.56","","90","","90","","90","","658.91","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K2 Re F8","","- F8 K2 Re -","- F8 K2 Re -","- F32 K8 Re4 -","4","0.5","","Koz'min, P.A.","The structure investigation of potassium octafluororhenate K2 Re F8","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1964","5","","70","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530204","17.862","","5.954","","7.487","","90","","90","","90","","796.245","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pb3 O2 I2","","- I2 O2 Pb3 -","- I2 O2 Pb3 -","- I8 O8 Pb12 -","4","0.5","","Kramer, V.; Post, E.","Preparation and Structural Characterization of the Lead Oxide Iodide Pb3 O2 I2","Materials Research Bulletin","1985","20","","407","412","","","","","","","","","","","","","","","","","","","","","","has coordinates","155266","2020-10-21","18:00:00",""
"1530207","13.796","","16.692","","16.024","","90","","90","","90","","3690.05","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K8 Ga4 S10 (H2 O)15","","- Ga4 H30 K8 O15 S10 -","- Ga4 H30 K8 O15 S10 -","- Ga16 H120 K32 O60 S40 -","4","0.5","","Krebs, B.; Voelker, D.; Stiller, K.","Novel adamantane-like Thio- and Selenoanions from aqueous solution- Ga4 S10(8-), In4 S10(8-), In4 Se10(8-)","Inorganica Chimica Acta","1982","65","","101","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","189207","2020-10-21","18:00:00",""
"1530208","14.016","","16.968","","16.369","","90","","90","","90","","3892.93","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K8 In4 S10 (H2 O)15","","- H30 In4 K8 O15 S10 -","- H30 In4 K8 O15 S10 -","- H120 In16 K32 O60 S40 -","4","0.5","","Krebs, B.; Voelker, D.; Stiller, K.","Novel adamantane-like Thio- and Selenoanions from aqueous solution- Ga4 S10(8-), In4 S10(8-), In4 Se10(8-)","Inorganica Chimica Acta","1982","65","","101","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","189207","2020-10-21","18:00:00",""
"1530209","14.187","","17.612","","16.848","","90","","90","","90","","4209.67","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K8 (In4 Se10) (H2 O)16","","- H32 In4 K8 O16 Se10 -","- In4 K8 O16 Se10 -","- In16 K32 O64 Se40 -","4","0.5","","Krebs, B.; Voelker, D.; Stiller, K.","Novel adamantane-like Thio- and Selenoanions from aqueous solution- Ga4 S10(8-), In4 S10(8-), In4 Se10(8-)","Inorganica Chimica Acta","1982","65","","L101","L102","","","","","","","","","","","","","","","","","","","","","","has coordinates","155272","2020-10-21","18:00:00",""
"1530234","8.078","","12.63","","14.71","","90","","90","","90","","1500.79","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K3 Nb (S O4)4","","- K3 Nb O16 S4 -","- K3 Nb O16 S4 -","- K12 Nb4 O64 S16 -","4","0.5","","Kuznetsov, V.Ya.; Rogachev, D.L.; Dikareva, L.M.; Porai-Koshits, M.A.","The structure of crystals of potassium tetrasulfatoniobate K3 Nb (S O4)4","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1979","20","","672","677","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530238","9.429","","5.891","","11.03","","90","","90","","90","","612.675","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K2 (Sb P O6)","","- K2 O6 P Sb -","- K2 O6 P Sb -","- K8 O24 P4 Sb4 -","4","0.5","","Lachgar, A.; Deniard-Courant, S.; Piffard, Y.","Preparation and crystal structure of K2 Sb P O6","Journal of Solid State Chemistry","1986","63","","409","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530278","13.28","","7.247","","9.518","","90","","90","","90","","916.014","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs2 (V O) (P2 O7)","","- Cs2 O8 P2 V -","- Cs2 O8 P2 V -","- Cs8 O32 P8 V4 -","4","0.5","","Li, K.H.; Wang, S.-L.","M2 V O P2 O7 (M = Rb, Cs): Two vanadyl pyrophosphates with a layer structure","Journal of Solid State Chemistry","1989","82","","239","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530284","10.154","","8.641","","9.184","","90","","90","","90","","805.811","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Mo6 O10 -","- Ba Mo6 O10 -","- Ba4 Mo24 O40 -","4","0.5","","Lii, K.-H.; Wang, C.-C.; Wang, S.-L.","Zigzag octahedral cluster chains in Ba Mo6 O10","Journal of Solid State Chemistry","1988","77","","407","411","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530287","17.613","","7.328","","11.6","","90","","90","","90","","1497.19","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs2 V3 P4 O17","","- Cs2 O17 P4 V3 -","- Cs2 O17 P4 V3 -","- Cs8 O68 P16 V12 -","4","0.5","","Lii, K.-H.; Wang, Y.P.; Wang, S.-L.","A New Vanadium(IV) Phosphate with a Tunnel Structure Cs2 V3 P4 O17","Journal of Solid State Chemistry","1989","80","","127","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","155359","2020-10-21","18:00:00",""
"1530301","12.328","","4.92","","8.384","","90","","90","","90","","508.521","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Sr I2","","- I2 Sr -","- I2 Sr -","- I8 Sr4 -","4","0.5","","Liu, G.; Eick, H.A.","The Structure of a Metastable Form of Sr I2 By the X-Ray Rietveld Procedure","Journal of the Less-Common Metals","1989","156","","237","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530312","10.114","","11.601","","14.29","","90","","90","","90","","1676.68","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Cs3 Zn I4 (N O3)","","- Cs3 I4 N O3 Zn -","- Cs3 I4 N O3 Zn -","- Cs12 I16 N4 O12 Zn4 -","4","0.5","","Louer, M.; Louer, D.","Syntheses et structures cristallines de Cs3 M I4 N O3 (M= Zn, Co, Cd): Un exemple de substitution selective","Journal of Solid State Chemistry","1986","65","","272","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530313","10.078","","11.621","","14.262","","90","","90","","90","","1670.31","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Cs3 Co I4 (N O3)","","- Co Cs3 I4 N O3 -","- Co Cs3 I4 N O3 -","- Co4 Cs12 I16 N4 O12 -","4","0.5","","Louer, M.; Louer, D.","Syntheses et structures cristallines de Cs3 M I4 N O3 (M= Zn, Co, Cd): Un exemple de substitution selective","Journal of Solid State Chemistry","1986","65","","272","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530358","10.56","","12.803","","11.806","","90","","90","","90","","1596.17","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","K2 (Se O4) (Sb F3) (H2 O)0.5","","- F3 H K2 O4.5 Sb Se -","- F3 K2 O4.5 Sb Se -","- F24 K16 O36 Sb8 Se8 -","8","1","","Mascherpa-Corral, D.; Ducourant, M.B.; Alberola, S.","Syntheses, etude structurale par diffraction X, spectroscopies infrarouge et Moessbauer de K2 Se O4 Sb F3* 0.5(H2 O)","Journal of Solid State Chemistry","1988","76","","276","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530412","12.716","","6.899","","12.642","","90","","90","","90","","1109.05","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","In Y2 Cl7","","- Cl7 In Y2 -","- Cl7 In Y2 -","- Cl28 In4 Y8 -","4","0.5","","Meyer, G.; Ax, P.; Cromm, A.; Linzmeier, H.","Seven-coordinate trivalent Rare Earths. The phyllochlorides A Re2 Cl7 (A= K, Rb, Cs, RE=Sm-Lu,Y) and the crystal structure of In Y2 Cl7","Journal of the Less-Common Metals","1984","98","","323","337","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530439","13.093","","8.909","","8.178","","90","","90","","90","","953.927","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb2 Pu Cl5","","- Cl5 Pu Rb2 -","- Cl5 Pu Rb2 -","- Cl20 Pu4 Rb8 -","4","0.5","","Morss, L.R.; Fujino, T.","Preparation and crystal structures of plutonium(III) pentachloro complexes, K2 Pu Cl5 and Rb2 Pu Cl5","Journal of Solid State Chemistry","1988","72","","353","362","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530440","12.674","","8.727","","7.969","","90","","90","","90","","881.419","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K2 Pu Cl5","","- Cl5 K2 Pu -","- Cl5 K2 Pu -","- Cl20 K8 Pu4 -","4","0.5","","Morss, L.R.; Fujino, T.","Preparation and crystal structures of plutonium(III) pentachloro complexes, K2 Pu Cl5 and Rb2 Pu Cl5","Journal of Solid State Chemistry","1988","72","","353","362","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530478","8.949","","4.026","","14.93","","90","","90","","90","","537.908","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb Cd Cl3","","- Cd Cl3 Rb -","- Cd Cl3 Rb -","- Cd4 Cl12 Rb4 -","4","0.5","","Natarajan-Iyer, M.; Brown, I.D.; Howard-Lock, H.E.","The crystal structure of Rb Cd Cl3 and the polarized Raman spectra of Rb Cd X3 (X = Cl, Br)","Canadian Journal of Chemistry","1978","56","","1192","1195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530504","13.825","","9.918","","7.1","","90","","90","","90","","973.526","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rb2 Fe Cl5 (H2 O)","","- Cl5 Fe H2 O Rb2 -","- Cl5 Fe O Rb2 -","- Cl20 Fe4 O4 Rb8 -","4","0.5","","O'Connor, C.J.; Deaver, B.S.jr.; Sinn, E.","Crystal structures of A2 Fe Cl5 (H2 O) (A = Rb(+), Cs(+)) and field dependent superconducting susceptometer measurements","Journal of Chemical Physics","1979","70","","5161","5167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530516","9.0556","","6.854","","12.304","","90","","90","","90","","763.673","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ba2 (Ti S4)","","- Ba2 S4 Ti -","- Ba2 S4 Ti -","- Ba8 S16 Ti4 -","4","0.5","","Onoda, M.; Saeki, M.","Powder X-Ray Diffraction Data and Crystal Structures of Ternary Sulphides, Ba2 Ti S4, Ba3 Ti S5 and Tetragonal Ba Cu2 S2","Materials Research Bulletin","1989","24","","1337","1345","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530526","7.55","","8.95","","10.1","","90","","90","","90","","682.482","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Zn (B3 O3 (O H)5) (H2 O)","","- B3 H7 O9 Zn -","- B3 O9 Zn -","- B12 O36 Zn4 -","4","0.5","","Ozols, J.; Tetere, I.V.; Ievins, A.","Crystal structure of zinc-triborate","Latvijas PSR Zinatnu Akademijas Vestis, Khimijas Serija","1973","1973","","3","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530528","10.237","","7.918","","13.882","","90","","90","","90","","1125.23","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 (Hg Br4)","","- Br4 Cs2 Hg -","- Br4 Cs2 Hg -","- Br16 Cs8 Hg4 -","4","0.5","","Pakhomov, V.I.; Fedorova, N.M.; Ivanova-Korfini, I.N.","Structure of the (Hg Br4)2- ion in the Cs2 Hg Br4 crystal","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1978","4","","1765","1766","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530530","9.33","","11.152","","14.003","","90","","90","","90","","1456.99","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs3 Hg Br5","","- Br5 Cs3 Hg -","- Br5 Cs3 Hg -","- Br20 Cs12 Hg4 -","4","0.5","","Pakhomov, V.I.; Sadikov, G.G.; Fedorov, P.M.","The structure of Cs3 Hg Br5 crystals","Kristallografiya","1978","23","","615","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530572","13.334","","7.57","","15.066","","90","","90","","90","","1520.74","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Al (N H3)6) I3 (N H3)","","- Al H21 I3 N7 -","- Al H21 I3 N7 -","- Al4 H84 I12 N28 -","4","0.5","","Peters, K.; Bock, J.; Jacobs, H.","Hexaaminaluminiumiodidmonoammoniakat - Al (N H3)6 I3 (N H3) - Darstellung und Kristallstruktur","Journal of the Less-Common Metals","1989","154","","243","250","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1530593","6.404","","6.875","","4.379","","90","","90","","90","","192.796","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Ho F3","","- F3 Ho -","- F3 Ho -","- F12 Ho4 -","4","0.5","","Piotrowski, M.; Ptasiewicz-Bak, H.; Murasik, A.","The crystal structures of Ho F3 and Tb F3 by neutron diffraction","Physica Status Solidi, Sectio A: Applied Research","1979","55","","163","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530594","6.513","","6.949","","4.384","","90","","90","","90","","198.415","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Tb F3","","- F3 Tb -","- F3 Tb -","- F12 Tb4 -","4","0.5","","Piotrowski, M.; Ptasiewicz-Bak, H.; Murasik, A.","The crystal structures of Ho F3 and Tb F3 by neutron diffraction","Physica Status Solidi, Sectio A: Applied Research","1979","55","","K163","K166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530647","12.767","","3.829","","12.958","","90","","90","","90","","633.45","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca Lu2 S4 -","- Ca Lu2 S4 -","- Ca4 Lu8 S16 -","4","0.5","","Rodier, N.; Tien, V.","Structure du sulfure mixte de calcium et de lutetium Ca Lu2 S4","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1977","284","","909","911","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530648","7.344","","3.948","","15.278","","90","","90","","90","","442.972","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ce Dy S3 -","- Ce Dy S3 -","- Ce4 Dy4 S12 -","4","0.5","","Rodier, N.; Tien, V.","Structure cristalline du sulfure mixte de cerium et de dysprosium Ce Dy S3","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1977","285","","133","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530880","8.733","","10.849","","8.959","","90","","90","","90","","848.814","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tl3 P S4","","- P S4 Tl3 -","- P S4 Tl3 -","- P4 S16 Tl12 -","4","0.5","","Toffoli, P.; Khodadad, P.; Rodier, N.","Structure cristalline du tetrathiomonophosphate (V) de thallium (I) Tl3 P S4","Bulletin de la Societe Chimique de France (Vol=Year)","1981","1981","","429","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530930","11.695","","5.987","","9.689","","90","","90","","90","","678.404","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K3 Li3 Te O6","","- K3 Li3 O6 Te -","- K3 Li3 O6 Te -","- K12 Li12 O24 Te4 -","4","0.5","","Untenecker, H.; Hoppe, R.","Neues ueber Oxotellurate: K3 Li3 (Te O6)","Journal of the Less-Common Metals","1986","124","","251","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530970","11.4561","","6.7067","","5.3676","","90","","90","","90","","412.407","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na3 Tl O2","","- Na3 O2 Tl -","- Na3 O2 Tl -","- Na12 O8 Tl4 -","4","0.5","","Wagner, G.; Hoppe, R.","Neue Synthesewege zu Metalloxiden: Na3 Tl O2 aus Na Tl und Na2 O2","Journal of the Less-Common Metals","1986","120","","225","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531024","22.389","","5.436","","7.87","","90","","90","","90","","957.831","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K3 (Nb As2 O9)","","- As2 K3 Nb O9 -","- As2 K3 Nb O9 -","- As8 K12 Nb4 O36 -","4","0.5","","Zid, M.F.; Jouini, T.; Jouini, N.; Omezzine, M.","Structure cristalline de K3 Nb As2 O9","Journal of Solid State Chemistry","1989","82","","14","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531030","10.14","","4.22","","10.38","","90","","90","","90","","444.169","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Hg Cl (S C N)","","- Cl Hg N S -","- Cl Hg N S -","- Cl4 Hg4 N4 S4 -","4","0.5","","Zvonkova, Z.V.; Zhdanov, G.S.","The crystal structure of rhodonides. the crystal structure of mercury halogen rhodonides","Zhurnal Fizicheskoi Khimii","1952","26","","586","591","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531064","15.76","","11.48","","7.92","","90","","90","","90","","1432.92","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Cr (N O) (N H3)5) (Cl O4)2","","- Cl2 Cr N4 O9.0016 -","- Cl2 Cr N4 O9.0016 -","- Cl8 Cr4 N16 O36.0064 -","4","0.5","","Akashi, H.; Nishiura, M.; Mori, M.; Shibahara, T.","Effect of outer sphere anions on the structure and color of nitrosylpentaamminechromium complex","Inorganica Chimica Acta","2002","331","","290","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531070","9.272","","7.283","","12.723","","90","","90","","90","","859.158","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb2 (Co Cl4)","","- Cl4 Co Rb2 -","- Cl4 Co Rb2 -","- Cl16 Co4 Rb8 -","4","0.5","","Amit, M.; Horowitz, A.; Makovsky, J.","Crystal structure of (Rb2 Co Cl4) and (Rb3 Mn2 Cl7)","Israel Journal of Chemistry","1972","10","","715","719","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531075","6.996","","4.06","","6.856","","90","","90","","90","","194.736","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","U Fe Si","","- Fe Si U -","- Fe Si U -","- Fe4 Si4 U4 -","4","0.5","","Andreev, A.V.; Honda, F.; Sechovsky, V.; Divis, M.; Izmaylov, N.; Chernyavski, O.; Shiokawa, Y.; Homma, Y.","Magnetic properties of single crystalline U Fe Si","Journal of Alloys Compd.","2002","335","","91","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531114","8.992","","9.7879","","18.7161","","90","","90","","90","","1647.26","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Te4 (As F6)2) (S O2)","","- As2 F12 O2 S Te4 -","- As2 F12.1 O2 S Te4 -","- As8 F48.4 O8 S4 Te16 -","4","0.5","","Beck, J.; Steden, F.; Reich, A.; Foelsing, H.","Synthese, Struktur und Phasenumwandlung von Te4 (As F6)2 * (S O2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1073","1079","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531165","7.9505","","4.02502","","6.9823","","90","","90","","90","","223.44","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Tb Ni Si D1.78","","- D1.78 Ni Si Tb -","- D1.78 Ni Si Tb -","- D7.12 Ni4 Si4 Tb4 -","4","0.5","","Brinks, H.W.; Yartys', V.A.; Hauback, B.C.; Ouladdiaf, B.; Fjellvag, H.","The magnetic structure of Tb Ni Si D1.78","Journal of Alloys Compd.","2002","340","","62","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531201","5.5738","","5.6996","","7.9942","","90","","90","","90","","253.963","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Zr V2 D5.95","","- D5.95 V2 Zr -","- D5.95 V2 Zr -","- D23.8 V8 Zr4 -","4","0.5","","Bogdanova, A.V.; Andre, G.; Irodova, A.V.; Bouree, F.","The Zr V2 D6 crystal structure","Journal of Alloys Compd.","2003","356","","50","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531205","10.8637","","7.4406","","5.1717","","90","","90","","90","","418.041","","","","","","","","","","","","","12","P n m a","-P 2ac 2n","62","","(Y0.50 Dy0.25 Th0.157 U0.056 Ca0.012) (Ti1.605 Nb0.335 Ta0.05 W0.014 Fe0.018) O5.72 (O H)0.28","","- Ca0.012 Dy0.25 Fe0.018 H0.28 Nb0.335 O6 Ta0.05 Th0.157 Ti1.605 U0.056 W0.014 Y0.5 -","- Ca0.012 Dy0.251 Fe0.018 Nb0.335 O6 Ta0.05 Th0.157 Ti1.605 U0.056 W0.014 Y0.499 -","- Ca0.048 Dy1.004 Fe0.072 Nb1.34 O24 Ta0.2 Th0.628 Ti6.42 U0.224 W0.056 Y1.996 -","4","0.5","","Bonazzi, P.; Dei, L.; Zoppi, M.","Metamict aeschynite-(Y) from the Evje-Iveland district (Norway): heat-induced recrystallization and dehydrogenation","European Journal of Mineralogy (1,1989-)","2002","14","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531233","5.446","","7.6796","","5.4892","","90","","90","","90","","229.575","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.6 Sr0.4) (Mn O3)","","- Mn O3 Pr0.6 Sr0.4 -","- Mn O3 Pr0.6 Sr0.4 -","- Mn4 O12 Pr2.4 Sr1.6 -","4","0.5","","Boujelben, W.; Ellouze, M.; Cheikhrouhou, A.; Cai, Q.; Pierre, J.; Yelon, W.B.; Shimizu, K.; Dubourdieu, C.","Neutron diffraction, NMR and magneto-transport properties in the Pr0.6 Sr0.4 Mn O3 perovskite manganite","Journal of Alloys Compd.","2002","334","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531240","5.4671","","7.7273","","5.4889","","90","","90","","90","","231.884","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.7 Sr0.3) Mn O3","","- Mn O3 Pr0.7 Sr0.3 -","- Mn O3 Pr0.7 Sr0.3 -","- Mn4 O12 Pr2.8 Sr1.2 -","4","0.5","","Boujelben, W.; Ellouze, M.; Cheikhrouhou, A.; Dubourdieu, C.; Pierre, J.; Yelon, W.B.; Cai, Q.; Shimizu, K.","Neutron diffraction, NMR and magneto-transport properties in the Pr0.7 Sr0.3 Mn O3 perovskite manganite","Physica Status Solidi, Sectio A: Applied Research","2002","191","","243","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531249","7.798","","3.836","","5.6657","","90","","90","","90","","169.479","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Np Si -","- Np Si -","- Np4 Si4 -","4","0.5","","Boulet, P.; Bouexiere, D.; Rebizant, J.; Wastin, F.","Structural chemistry of the neptunium-silicon binary system","Journal of Alloys Compd.","2003","349","","172","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531267","5.4708","","10.7133","","10.3025","","90","","90","","90","","603.833","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ta (Nb2.75 Ta3.25) S2","","- Nb2.75 S2 Ta4.25 -","- Nb2.75 S2 Ta4.25 -","- Nb11 S8 Ta17 -","4","0.5","","Debus, S.; Harbrecht, B.","Nbx Ta7-x S2 (x = 2.73), a structurally distinct (Nb, Ta)-rich sulfide obtaining its stability from the dissimilar cohesive energy of the two metals","Journal of Alloys Compd.","2002","338","","253","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","156647","2020-10-21","18:00:00",""
"1531322","5.7673","","8.1413","","5.7541","","90","","90","","90","","270.174","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sr (In0.667 W0.333) O3","","- In0.667 O3 Sr W0.333 -","- In0.667 O3 Sr W0.333 -","- In2.668 O12 Sr4 W1.332 -","4","0.5","","Fuentes, A.F.; Hernandez-Ibarra, O.; Escalante-Garcia, J.I.; Mendoza-Suarez, G.; Boulahya, K.; Amador, U.","Structural analysis of several W(VI) and Mo(VI) complex perovskites prepared by the polymeric precursors method","Journal of Solid State Chemistry","2003","173","","319","327","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531327","6.8584","","17.7523","","6.1865","","90","","90","","90","","753.221","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Y3 Cl (Si O4)2","","- Cl O8 Si2 Y3 -","- Cl O8 Si2 Y3 -","- Cl4 O32 Si8 Y12 -","4","0.5","","Hartenbach, I.; Schleid, T.","Zwei Chloridsilicate des Yttriums: Y3 Cl (Si O4)2 und Y6 Cl10 (Si4 O12)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2493","2498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531352","11.418","","6.447","","5.27","","90","","90","","90","","387.934","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na Ho (Ge O4)","","- Ge Ho Na O4 -","- Ge Ho Na O4 -","- Ge4 Ho4 Na4 O16 -","4","0.5","","Emirdag-Eanes, M.; Krawiec, M.; Kolis, J. W.","Hydrothermal synthesis and structural characterization of NaLnGeO~4~ (Ln = Ho, Er, Tb, Tm, Yb, Lu) family of lanthanide germanates","Journal of Chemical Crystallography","2002","31","5","281","285","10.1023/A:1014378729117","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531390","12.096","","3.67","","24.93","","90","","90","","90","","1106.7","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mg2 Co12 As7","","- As7 Co12 Mg2 -","- As7 Co12 Mg2 -","- As28 Co48 Mg8 -","4","0.5","","Hellmann, A.; Mewis, A.","Neue Erdalkalimetall-Phosphide und -Arsenide des Cobalts","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1357","1364","","","","","","","","","","","","","","","","","","","","","","has coordinates","156852","2020-10-21","18:00:00",""
"1531420","14.571","","18.23","","4.949","","90","","90","","90","","1314.6","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rb2 Cu3 (S O4)3 (O H)2","","- Cu3 H2 O14 Rb2 S3 -","- Cu3 H2 O14 Rb2 S3 -","- Cu12 H8 O56 Rb8 S12 -","4","0.5","","Fleck, M.; Giester, G.","Crystal structures of the new double salts K2 Cd3 (S O4)4 * 5(H2 O), Rb2 Cu3 (S O4)3 (O H)2 and Cs2 Cu (Se O4)2 * 4(H2 O)","Journal of Alloys Compd.","2003","351","","77","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531465","6.85","","3.982","","7.863","","90","","90","","90","","214.477","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Yb Mn Si","","- Mn Si Yb -","- Mn Si Yb -","- Mn4 Si4 Yb4 -","4","0.5","","Fornasini, M.L.; Merlo, F.; Pani, M.; Palenzona, A.","Valency changes of ytterbium in Yb Mn Ge and in the Yb Mn Si1-x Gex pseudo-ternary system","Journal of Alloys Compd.","2002","335","","120","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531468","6.94","","4.057","","8.033","","90","","90","","90","","226.174","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Yb Mn (Si0.06 Ge0.94)","","- Ge0.94 Mn Si0.06 Yb -","- Ge0.94 Mn Si0.06 Yb -","- Ge3.76 Mn4 Si0.24 Yb4 -","4","0.5","","Fornasini, M.L.; Merlo, F.; Palenzona, A.; Pani, M.","Valency changes of ytterbium in Yb Mn Ge and in the Yb Mn Si1-x Gex pseudo-ternary system","Journal of Alloys Compd.","2002","335","","120","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531471","6.937","","4.054","","8.027","","90","","90","","90","","225.74","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Yb Mn (Si0.087 Ge0.913)","","- Ge0.913 Mn Si0.087 Yb -","- Ge0.913 Mn Si0.087 Yb -","- Ge3.652 Mn4 Si0.348 Yb4 -","4","0.5","","Fornasini, M.L.; Merlo, F.; Palenzona, A.; Pani, M.","Valency changes of ytterbium in Yb Mn Ge and in the Yb Mn Si1-x Gex pseudo-ternary system","Journal of Alloys Compd.","2002","335","","120","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531477","7.266","","4.296","","8.014","","90","","90","","90","","250.155","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Yb Mn Ge","","- Ge Mn Yb -","- Ge Mn Yb -","- Ge4 Mn4 Yb4 -","4","0.5","","Fornasini, M.L.; Merlo, F.; Palenzona, A.; Pani, M.","Valency changes of ytterbium in Yb Mn Ge and in the Yb Mn Si1-x Gex pseudo-ternary system","Journal of Alloys Compd.","2002","335","","120","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531480","7.243","","4.288","","7.987","","90","","90","","90","","248.06","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Yb Mn (Si0.1 Ge0.9)","","- Ge0.9 Mn Si0.1 Yb -","- Ge0.9 Mn Si0.1 Yb -","- Ge3.6 Mn4 Si0.4 Yb4 -","4","0.5","","Fornasini, M.L.; Merlo, F.; Palenzona, A.; Pani, M.","Valency changes of ytterbium in Yb Mn Ge and in the Yb Mn Si1-x Gex pseudo-ternary system","Journal of Alloys Compd.","2002","335","","120","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531510","12.12","","10.58","","9.28","","90","","90","","90","","1189.97","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K3 Hg (N O2)4 (N O3)","","- Hg K3 N5 O11 -","- Hg K3 N5 O11 -","- Hg4 K12 N20 O44 -","4","0.5","","Hall, D.; Holland, R.V.","The Crystal Structure of K3 (Hg (N O2)4) N O3","Inorganica Chimica Acta","1969","3","","235","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531514","17.1134","","3.8544","","3.9063","","90","","90","","90","","257.667","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sm As S","","- As S Sm -","- As S Sm -","- As4 S4 Sm4 -","4","0.5","","Hoistad Strauss, L.; Delp, C.M.","Crystal structure of Sm As S","Journal of Alloys Compd.","2003","353","","143","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531547","6.673","","5.336","","15.291","","90","","90","","90","","544.469","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","(N H4) (Sn F (H P O4))","","- F H5 N O4 P Sn -","- F H5 N O4 P Sn -","- F4 H20 N4 O16 P4 Sn4 -","4","0.5","","Kokunov, Yu.V.; Ershova, M.M.; Gorbunova, Yu.E.; Detkov, D.G.; Mikhailov, Yu.N.","Tin(II) complexes with phosphate and fluoride ligands: synthesis and crystal structure of M (Sn F (H P O4)) (M = N H4, Na)","Zhurnal Neorganicheskoi Khimii","2002","47","","931","935","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531550","4.81","","5.21","","18.853","","90","","90","","90","","472.458","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Na (Sn F (H P O4))","","- F H Na O4 P Sn -","- F H Na O4 P Sn -","- F4 H4 Na4 O16 P4 Sn4 -","4","0.5","","Kokunov, Yu.V.; Ershova, M.M.; Gorbunova, Yu.E.; Detkov, D.G.; Mikhailov, Yu.N.","Tin(II) complexes with phosphate and fluoride ligands: synthesis and crystal structure of M (Sn F (H P O4)) (M = N H4, Na)","Zhurnal Neorganicheskoi Khimii","2002","47","","931","935","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531572","14.0318","","3.9342","","12.5212","","90","","90","","90","","691.219","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La3 Cu O2 S3","","- Cu La3 O2 S3 -","- Cu La3 O2 S3 -","- Cu4 La12 O8 S12 -","4","0.5","","Ijjaali, I.; Haynes, C.L.; Ibers, J.A.; McFarland, A.D.; van Duyne, R.P.","Synthesis, structure and optical properties of the new lanthanum copper oxysulfide La3 Cu O2 S3","Journal of Solid State Chemistry","2003","172","","257","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531595","5.554","","7.8809","","5.544","","90","","90","","90","","242.664","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Na0.78 Sr0.19) (Ta O3)","","- Na0.78 O3 Sr0.19 Ta -","- Na0.776 O3 Sr0.194 Ta -","- Na3.104 O12 Sr0.776 Ta4 -","4","0.5","","Istomin, S.Ya.; Svensson, G.; Koehler, J.","A neutron powder diffraction study of Na1-x Srx Ta O3 (x = 0.2 and 0.3)","Solid State Sciences","2002","4","","191","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531609","13.405","","10.458","","6.74","","90","","90","","90","","944.877","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Al Cl3) (N H3)5","","- Al Cl3 H15 N5 -","- Al Cl3 H15 N5 -","- Al4 Cl12 H60 N20 -","4","0.5","","Jacobs, H.; Schroeder, F.O.","Penta-ammoniates of aluminium halides: the crystal structures of Al X3 * 5(N H3) with X = Cl, Br, I","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","951","955","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531610","13.808","","10.827","","6.938","","90","","90","","90","","1037.23","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Al Br3) (N H3)5","","- Al Br3 H15 N5 -","- Al Br3 H15 N5 -","- Al4 Br12 H60 N20 -","4","0.5","","Jacobs, H.; Schroeder, F.O.","Penta-ammoniates of aluminium halides: the crystal structures of AlX3 * 5(N H3) with X = Cl, Br, I","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","951","955","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531613","7.772","","3.843","","11.583","","90","","90","","90","","345.959","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Rb (Li (N H2)2)","","- H4 Li N2 Rb -","- H4 Li N2 Rb -","- H16 Li4 N8 Rb4 -","4","0.5","","Jacobs, H.; Bohger, P.; Kockelmann, W.","Rb Li (N H2)2, a rubidium amido lithiate investigated by X-ray and neutron diffraction","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1794","1798","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531616","7.808","","3.8552","","11.6204","","90","","90","","90","","349.79","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Rb (Li (N D2)2)","","- D4 Li N2 Rb -","- D4 Li N2 Rb -","- D16 Li4 N8 Rb4 -","4","0.5","","Jacobs, H.; Bohger, P.; Kockelmann, W.","Rb Li (N H2)2, a rubidium amido lithiate investigated by X-ray and neutron diffraction","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1794","1798","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531669","6.582","","10.4485","","10.3999","","90","","90","","90","","715.222","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Cd3 ((Se O3) (C O3) (O H)2)","","- C H2 Cd3 O8 Se -","- C H2 Cd3 O8 Se -","- C4 H8 Cd12 O32 Se4 -","4","0.5","","Johnston, M.G.; Harrison, W.T.A.","Synthesis and structure of cadmium selenite carbonate hydroxide, Cd3 ((Se O3) (C O3) (O H)2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","2063","2066","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531698","6.659","","7.853","","9.704","","90","","90","","90","","507.453","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ti3.68 Mo1.32 As3","","- As3 Mo1.32 Ti3.68 -","- As3 Mo1.316 Ti3.684 -","- As12 Mo5.264 Ti14.736 -","4","0.5","","Lee Chishen; Dashjav, E.; Kleinke, H.","Ti4 Mo As3 and Ti3.7 Mo1.3 As3: the predicted structure changes in Ti5 As3 by a partial substitution of Mo for Ti","Journal of Alloys Compd.","2002","338","","60","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","157236","2020-10-21","18:00:00",""
"1531702","10.222","","8.21","","6.9618","","90","","90","","90","","584.252","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ti5 Sb2 (Sb0.2 Se0.8)","","- Sb2.2 Se0.8 Ti5 -","- Sb2.202 Se0.798 Ti5 -","- Sb8.808 Se3.192 Ti20 -","4","0.5","","Kleinke, H.","Ti5 Sb2.2 Se0.8: the first titanium antimonide - selenide","Journal of Alloys Compd.","2002","336","","132","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","157244","2020-10-21","18:00:00",""
"1531782","24.08","","4.1276","","11.369","","90","","90","","90","","1129.99","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Cu0.146 Pb2 (Pb0.533 Sb0.467) (Pb0.463 Sb0.537) (Sb0.747 Pb0.193 Bi0.06) S6","","- Bi0.06 Cu0.146 Pb3.189 S6 Sb1.751 -","- Bi0.06 Cu0.146 Pb3.189 S6 Sb1.751 -","- Bi0.24 Cu0.584 Pb12.756 S24 Sb7.004 -","4","0.5","","Moelo, Y.; Palvadeau, P.; Meisser, N.; Meerschaut, A.","Structure cristalline d'une meneghinite naturelle pauvre en cuivre,Cu0.58 Pb12.72 (Sb7.04 Bi0.24) S24","Comptes Rendus Geoscience","2002","334","","529","536","","","","","","","","","","","","","","","","","","","","","","has coordinates","157341","2020-10-21","18:00:00",""
"1531799","5.849","","7.543","","5.416","","90","","90","","90","","238.949","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Nd (Mn O3)","","- Mn Nd O3 -","- Mn Nd O3 -","- Mn4 Nd4 O12 -","4","0.5","","Mori, T.; Kamegashira, N.; Fukuda, T.; Shishido, T.; Aoki, K.","Crystal growth and crystal structures of the Ln Mn O3 perovskites: Ln = Nd, Sm, Eu and Gd","Materials Letters","2002","54","","238","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531800","5.862","","7.477","","5.362","","90","","90","","90","","235.017","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sm (Mn O3)","","- Mn O3 Sm -","- Mn O3 Sm -","- Mn4 O12 Sm4 -","4","0.5","","Mori, T.; Kamegashira, N.; Shishido, T.; Aoki, K.; Fukuda, T.","Crystal growth and crystal structures of the Ln Mn O3 perovskites: Ln = Nd, Sm, Eu and Gd","Materials Letters","2002","54","","238","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531803","5.866","","7.448","","5.34","","90","","90","","90","","233.304","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Eu (Mn O3)","","- Eu Mn O3 -","- Eu Mn O3 -","- Eu4 Mn4 O12 -","4","0.5","","Mori, T.; Kamegashira, N.; Aoki, K.; Shishido, T.; Fukuda, T.","Crystal growth and crystal structures of the Ln Mn O3 perovskites: Ln = Nd, Sm, Eu and Gd","Materials Letters","2002","54","","238","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531804","5.5457","","7.7064","","5.4689","","90","","90","","90","","233.726","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(La0.184 Pr0.734 Na0.082) Mn O3","","- La0.184 Mn Na0.082 O3 Pr0.734 -","- La0.184 Mn Na0.082 O3 Pr0.734 -","- La0.736 Mn4 Na0.328 O12 Pr2.936 -","4","0.5","","Megdiche, S.; Cai, Q.; Ellouze, M.; Cheikhrouhou, A.; Yelon, W.B.","Neutron diffraction, structural and magnetic properties of (La1-y Pry)0.9 Na0.1 Mn O3","Journal of Alloys Compd.","2003","348","","30","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531806","5.866","","7.431","","5.318","","90","","90","","90","","231.813","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Gd (Mn O3)","","- Gd Mn O3 -","- Gd Mn O3 -","- Gd4 Mn4 O12 -","4","0.5","","Mori, T.; Aoki, K.; Kamegashira, N.; Shishido, T.; Fukuda, T.","Crystal growth and crystal structures of the Ln Mn O3 perovskites: Ln = Nd, Sm, Eu and Gd","Materials Letters","2002","54","","238","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531815","7.3025","","6.9654","","9.0518","","90","","90","","90","","460.418","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ho Cl (Te O3)","","- Cl Ho O3 Te -","- Cl Ho O3 Te -","- Cl4 Ho4 O12 Te4 -","4","0.5","","Meier, S.F.; Schleid, T.","Synthese und Kristallstruktur des Holmium(III)-chlorid- oxotellurats(IV) Ho Cl Te O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","526","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531854","7.869","","5.077","","9.416","","90","","90","","90","","376.178","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Eu2 Ge -","- Eu2 Ge -","- Eu8 Ge4 -","4","0.5","","Merlo, F.; Palenzona, A.; Pani, M.","Yb2 Ge, Eu2 Ge and Eu2 Si: new (Pb Cl2)-type compounds","Journal of Alloys Compd.","2003","348","","173","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531856","7.821","","5.047","","9.385","","90","","90","","90","","370.45","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Eu2 Si -","- Eu2 Si -","- Eu8 Si4 -","4","0.5","","Merlo, F.; Pani, M.; Palenzona, A.","Yb2 Ge, Eu2 Ge and Eu2 Si: new (Pb Cl2)-type compounds","Journal of Alloys Compd.","2003","348","","173","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531858","7.567","","4.822","","9.022","","90","","90","","90","","329.195","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Yb2 Ge","","- Ge Yb2 -","- Ge Yb2 -","- Ge4 Yb8 -","4","0.5","","Merlo, F.; Palenzona, A.; Pani, M.","Yb2 Ge, Eu2 Ge and Eu2 Si: new (Pb Cl2)-type compounds","Journal of Alloys Compd.","2003","348","","173","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531922","14.034","","7.7548","","6.15023","","90","","90","","90","","669.335","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Li4 Ge S4","","- Ge Li4 S4 -","- Ge Li4 S4 -","- Ge4 Li16 S16 -","4","0.5","","Murayama, M.; Kanno, R.; Kawamoto, Y.; Kamiyama, T.","Structure of the thio-LISICON, Li4 Ge S4","Solid State Ionics","2002","154","","789","794","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531953","19.1399","","3.9158","","6.7461","","90","","90","","90","","505.607","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","U Ni5 Ge3","","- Ge3 Ni5 U -","- Ge3 Ni5 U -","- Ge12 Ni20 U4 -","4","0.5","","Perricone, A.; Noel, H.","Crystal structure of the new ternary uranium germanide U Ni5 Ge3 and magnetic properties of U Ni5 X3 (X = Ge, Si)","Journal of Alloys Compd.","2002","346","","57","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531956","7.103","","5.39","","10.106","","90","","90","","90","","386.91","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Cs (N H2)) (N H3)","","- Cs H5 N2 -","- Cs H5 N2 -","- Cs4 H20 N8 -","4","0.5","","Peters, D.; Tenten, A.; Jacobs, H.","Wasserstoffbrueckenbindungen in den Monoammoniakaten von Kalium- und Caesiumamid","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1521","1524","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531957","12.2482","","5.8737","","9.8098","","90","","90","","90","","705.739","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pb3 O2 Br2","","- Br2 O2 Pb3 -","- Br2 O2 Pb3 -","- Br8 O8 Pb12 -","4","0.5","","Noren, L.; Tan, E.S.Q.; Rundlof, H.; Withers, R.L.; Sterns, M.","A neutron, X-ray and electron diffraction study of the structures of Pb3 O2 X2 (X = Cl, Br)","Materials Research Bulletin","2002","37","","1431","1442","","","","","","","","","","","","","","","","","","","","","","has coordinates","157565","2020-10-21","18:00:00",""
"1531964","5.3386","","7.5376","","5.3367","","90","","90","","90","","214.75","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(La0.2 Ca0.8) Mn O3","","- Ca0.8 La0.2 Mn O3 -","- Ca0.8 La0.2 Mn O3 -","- Ca3.2 La0.8 Mn4 O12 -","4","0.5","","Pissas, M.; Kallias, G.; Hofmann, M.; Toebbens, D.M.","Crystal and magnetic structure of the La1-x Cax Mn O3 compound (x = 0.8, 0.85)","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2002","65","","064413-1","064413-9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531968","5.3243","","7.5193","","5.3189","","90","","90","","90","","212.942","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(La0.15 Ca0.85) Mn O3","","- Ca0.85 La0.15 Mn O3 -","- Ca0.85 La0.15 Mn O3 -","- Ca3.4 La0.6 Mn4 O12 -","4","0.5","","Pissas, M.; Kallias, G.; Hofmann, M.; Toebbens, D.M.","Crystal and magnetic structure of the La1-x Cax Mn O3 compound (x =0.8, 0.85)","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2002","65","","064413-1","064413-9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532014","7.375","","22.362","","8.12","","90","","90","","90","","1339.15","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ca7 Ge6 -","- Ca7 Ge6 -","- Ca28 Ge24 -","4","0.5","","Palenzona, A.; Manfrinetti, P.; Fornasini, M.L.","The phase diagram of the Ca-Ge system","Journal of Alloys Compd.","2002","345","","144","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532040","5.1752","","3.3321","","5.6094","","90","","90","","90","","96.73","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ni Si -","- Ni Si -","- Ni4 Si4 -","4","0.5","","Rabadanov, M.Kh.; Ataev, M.B.","Atomic structure and enormous anisotropy of thermal expansion in Ni Si single crystals. I. Refinement of structure models","Kristallografiya","2002","47","","40","45","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532063","6.685","","4.1419","","7.9263","","90","","90","","90","","219.468","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","U (Fe0.15 Ni0.85) Al H0.6","","- Al Fe0.15 H0.6 Ni0.85 U -","- Al Fe0.15 Ni0.85 U -","- Al4 Fe0.6 Ni3.4 U4 -","4","0.5","","Raj, P.; Venkateswara Rao, C.R.; Shashikala, K.; Malik, S.K.; Sathyamoorthy, A.; Harish Kumar, N.","U (Fe1-x Nix) Al Hy system: new hydride phases, structural and magnetic properties","Physik (Berlin)","2002","312","","885","887","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532081","5.37037","","7.61239","","5.40997","","90","","90","","90","","221.167","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.9 Ba0.1) Co O3","","- Ba0.1 Co O3 Pr0.9 -","- Ba0.1 Co O3 Pr0.9 -","- Ba0.4 Co4 O12 Pr3.6 -","4","0.5","","Rivas-Murias, B.; Fondado, A.; Sanchez-Andujar, M.; Rivas, J.; Senaris Rodriguez, M.A.; Mira, J.","Structure, microstructure and magneto-transport properties of Pr1-x Bx Co O3-d (B(2+) = Ba(2+), Ca(2+)) perovskite materials","New Trends in Intercalation Compounds for energy Storage","2002","61","","577","584","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532083","5.39635","","7.63663","","5.44437","","90","","90","","90","","224.362","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.8 Ba0.2) Co O3","","- Ba0.2 Co O3 Pr0.8 -","- Ba0.2 Co O3 Pr0.8 -","- Ba0.8 Co4 O12 Pr3.2 -","4","0.5","","Rivas-Murias, B.; Sanchez-Andujar, M.; Rivas, J.; Fondado, A.; Mira, J.; Senaris Rodriguez, M.A.","Structure, microstructure and magneto-transport properties of Pr1-x Bx Co O3-d (B(2+) = Ba(2+), Ca(2+)) perovskite materials","New Trends in Intercalation Compounds for energy Storage","2002","61","","577","584","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532085","5.42228","","7.66621","","5.45998","","90","","90","","90","","226.962","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.7 Ba0.3) Co O3","","- Ba0.3 Co O3 Pr0.7 -","- Ba0.3 Co O3 Pr0.7 -","- Ba1.2 Co4 O12 Pr2.8 -","4","0.5","","Rivas-Murias, B.; Sanchez-Andujar, M.; Senaris Rodriguez, M.A.; Rivas, J.; Fondado, A.; Mira, J.","Structure, microstructure and magneto-transport properties of Pr1-x Bx Co O3-d (B(2+) = Ba(2+), Ca(2+)) perovskite materials","New Trends in Intercalation Compounds for energy Storage","2002","61","","577","584","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532086","5.42742","","7.67144","","5.45788","","90","","90","","90","","227.245","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.6 Ba0.4) Co O3","","- Ba0.4 Co O3 Pr0.6 -","- Ba0.4 Co O3 Pr0.6 -","- Ba1.6 Co4 O12 Pr2.4 -","4","0.5","","Rivas-Murias, B.; Sanchez-Andujar, M.; Fondado, A.; Rivas, J.; Mira, J.; Senaris Rodriguez, M.A.","Structure, microstructure and magneto-transport properties of Pr1-x Bx Co O3-d (B(2+) = Ba(2+), Ca(2+)) perovskite materials","New Trends in Intercalation Compounds for energy Storage","2002","61","","577","584","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532089","5.34812","","7.57696","","5.37475","","90","","90","","90","","217.798","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.9 Ca0.1) Co O3","","- Ca0.1 Co O3 Pr0.9 -","- Ca0.1 Co O3 Pr0.9 -","- Ca0.4 Co4 O12 Pr3.6 -","4","0.5","","Rivas-Murias, B.; Sanchez-Andujar, M.; Senaris Rodriguez, M.A.; Fondado, A.; Mira, J.; Rivas, J.","Structure, microstructure and magneto-transport properties of Pr1-x Bx Co O3-d (B(2+) = Ba(2+), Ca(2+)) perovskite materials","New Trends in Intercalation Compounds for energy Storage","2002","61","","577","584","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532091","5.3508","","7.57472","","5.37202","","90","","90","","90","","217.732","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.8 Ca0.2) Co O3","","- Ca0.2 Co O3 Pr0.8 -","- Ca0.2 Co O3 Pr0.8 -","- Ca0.8 Co4 O12 Pr3.2 -","4","0.5","","Rivas-Murias, B.; Sanchez-Andujar, M.; Fondado, A.; Rivas, J.; Mira, J.; Senaris Rodriguez, M.A.","Structure, microstructure and magneto-transport properties of Pr1-x Bx Co O3-d (B(2+) = Ba(2+), Ca(2+)) perovskite materials","New Trends in Intercalation Compounds for energy Storage","2002","61","","577","584","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532096","6.94778","","4.33094","","7.26604","","90","","90","","90","","218.638","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Er Ru Ge","","- Er Ge Ru -","- Er0.989 Ge Ru -","- Er3.956 Ge4 Ru4 -","4","0.5","","Rizzoli, C.; Sologub, O.L.; Salamakha, P.","Crystal structure of the Nd (Ru0.6 Ge0.4)2 and Er Ru Ge compounds","Journal of Alloys Compd.","2003","350","","160","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532165","5.7232","","3.6723","","6.367","","90","","90","","90","","133.817","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Mn As","","- As Mn -","- As Mn -","- As4 Mn4 -","4","0.5","","Suzuki, T.","The crystal structure of Mn As","Tohoku Gakuin Daigaku Kogakubu Kenkyu Hokoku","1978","13","","57","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532209","8.2574","","6.0529","","12.0099","","90","","90","","90","","600.269","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Cu3 ((O H)0.24 (O D)3.76) (S O4)","","- Cu3 D3.76 H0.24 O8 S -","- Cu3 D3.7625 H0.2375 O8 S -","- Cu12 D15.05 H0.95 O32 S4 -","4","0.5","","Vilminot, S.; Richard-Plouet, M.; Andre, G.; Drillon, M.; Guillot, M.; Bouree-Vigneron, F.; Swierczynski, D.","Magnetic structure and properties of Cu3 (O H)4 S O4 made of triple chains of spins s = 1/2","Journal of Solid State Chemistry","2003","170","","255","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532213","22.3479","","7.6955","","12.2021","","90","","90","","90","","2098.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba4.5 Nd9 Ti18 O54","","- Ba4.5 Nd9 O54 Ti18 -","- Ba4.496 Nd8.998 O54 Ti18 -","- Ba8.992 Nd17.996 O108 Ti36 -","2","0.25","","Tang, C.C.; Freer, R.; Roberts, M.A.; Azough, F.; Leach, C.","Synchrotron X-ray diffraction study of Ba4.5 Nd9 Ti18 O54 microwave dielectric ceramics at 10 - 295 K","Journal of Materials Research","2002","17","","675","682","","","","","","","","","","","","","","","","","","","","","","has coordinates","157876","2020-10-21","18:00:00",""
"1532228","15.952","","10.343","","4.645","","90","","90","","90","","766.386","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- K2 Te3 -","- K2 Te3 -","- K8 Te12 -","4","0.5","","Seifert-Lorenz, K.; Hafner, J.","Crystalline intermetallic compounds in the K-Te system: the Zintl-Klemm principle revisited","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2002","66","","094105-1","094105-15","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532238","5.5287","","3.3899","","6.132","","90","","90","","90","","114.924","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cr.5 Fe.5 As","","- As Cr0.5 Fe0.5 -","- As Cr0.5 Fe0.5 -","- As4 Cr2 Fe2 -","4","0.5","","Selte, K.; Fjellvag, H.; Kjekshus, A.; Andresen, A.F.","Magnetic Structures and Properties of Cr1-t Fet As","Acta Chemica Scandinavica, Series A: (28,1974-)","1979","33","","727","731","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532240","5.5594","","7.4154","","5.1825","","90","","90","","90","","213.649","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Yb2 ((Co Mn) O6)","","- Co Mn O6 Yb2 -","- Co Mn O6 Yb2 -","- Co2 Mn2 O12 Yb4 -","2","0.25","","Wang, X.-L.; James, M.; Horvat, J.; Gao, F.; Liu, H.K.; Dou, S.X.; Li, A.H.","Structure and spin glass behaviour in non-metallic Yb2 Co Mn O6 perovskite manganite","Journal of Magnetism and Magnetic Materials","2002","246","","86","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532244","12.967","","10.294","","8.9994","","90","","90","","90","","1201.26","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bi1.47 (Pb7.29 Mn0.71) (P O4)6 O1.32","","- Bi1.47 Mn0.71 O25.32 P6 Pb7.29 -","- Bi1.464 Mn0.708 O25.32 P6 Pb7.292 -","- Bi2.928 Mn1.416 O50.64 P12 Pb14.584 -","2","0.25","","Wang, S.; Lynch, V.; Steinfink, H.","Mn substitution in the solid solution series Bi2 Pb8-x (P O4)6 O2-x. The crystal structure of Bi1.5 (Pb7.3 Mn0.7) (P O4)6 O1.3 a member of a new solid solution series Bi2-x Pb8 (P O4)6 O2-1.5x","Journal of Solid State Chemistry","2003","173","","374","378","","","","","","","","","","","","","","","","","","","","","","has coordinates","157921","2020-10-21","18:00:00",""
"1532247","9.66","","5.8952","","7.6372","","90","","90","","90","","434.92","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs (B F4)","","- B Cs F4 -","- B Cs F4 -","- B4 Cs4 F16 -","4","0.5","","Tiritiris, I.; Mueller-Bunz, H.; Schleid, T.","Neubestimmung der Struktur von einkristallinem Cs (B F4) im Baryt-Typ","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","2212","2212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532256","5.373","","7.547","","5.297","","90","","90","","90","","214.794","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Y0.06 (Ta0.18 W0.82) O3","","- O3 Ta0.18 W0.82 Y0.06 -","- O3 Ta0.18 W0.82 Y0.06 -","- O12 Ta0.72 W3.28 Y0.24 -","4","0.5","","Toda, K.; Aoyama, Y.; Sato, M.","Crystal structure of trivalent ion conductive perovskite: Yx (Ta3x W1-3x) O3","Key Engineering Materials","2002","228","","277","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","157938","2020-10-21","18:00:00",""
"1532295","12.3489","","7.6648","","6.2251","","90","","90","","90","","589.217","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb3 Co O2","","- Co O2 Rb3 -","- Co O2 Rb3 -","- Co4 O8 Rb12 -","4","0.5","","Sofin, M.; Jansen, M.","Rb3 Co O2, a novel oxocobaltate(I) synthesized via the azide/nitrate route","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2115","2117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532298","11.729","","6.058","","8.004","","90","","90","","90","","568.718","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb2 (Co2 O3)","","- Co2 O3 Rb2 -","- Co2 O3 Rb2 -","- Co8 O12 Rb8 -","4","0.5","","Sofin, M.; Peters, E.M.; Jansen, M.","Ein neuartiges Polyoxocobaltat(II)-Anion in Rb2 Co2 O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","2697","2700","","","","","","","","","","","","","","","","","","","","","","has coordinates","157991","2020-10-21","18:00:00",""
"1532321","7.14","","4.17","","8.2","","90","","90","","90","","244.145","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Gd Mn Ge","","- Gd Ge Mn -","- Gd Ge Mn -","- Gd4 Ge4 Mn4 -","4","0.5","","Tyszka, B.; Szade, J.","Magnetism and crystal structure of Gd Ti1-x Mnx Ge","Journal of Alloys Compd.","2003","354","","64","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532335","10.5501","","3.692","","12.5663","","90","","90","","90","","489.47","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr La4 O8","","- Ba La4 O8 Sr -","- Ba La4 O8 Sr -","- Ba2 La8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532337","10.4012","","3.58727","","12.3393","","90","","90","","90","","460.403","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Nd4 O8","","- Ba Nd4 O8 Sr -","- Ba Nd4 O8 Sr -","- Ba2 Nd8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532340","10.349","","3.54266","","12.2391","","90","","90","","90","","448.722","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Sm4 O8","","- Ba O8 Sm4 Sr -","- Ba O8 Sm4 Sr -","- Ba2 O16 Sm8 Sr2 -","2","0.25","","Wong-Ng, W.; Dillingham, J.; Kaduk, J.A.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532342","10.3306","","3.51847","","12.1936","","90","","90","","90","","443.212","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Eu4 O8","","- Ba Eu4 O8 Sr -","- Ba Eu4 O8 Sr -","- Ba2 Eu8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532345","10.32655","","3.49713","","12.1722","","90","","90","","90","","439.578","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Gd4 O8","","- Ba Gd4 O8 Sr -","- Ba Gd4 O8 Sr -","- Ba2 Gd8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532346","5.5195","","7.7838","","5.5014","","90","","90","","90","","236.355","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.8 Sr0.2) Fe O2.993","","- Fe O2.993 Pr0.8 Sr0.2 -","- Fe O2.994 Pr0.8 Sr0.2 -","- Fe4 O11.976 Pr3.2 Sr0.8 -","4","0.5","","Stange, M.; Linden, J.; Fjellvag, H.; Binsted, N.; Kjekshus, A.; Weller, M.T.; Hauback, B.C.","Structural aspects of Pr1-x Srx Fe O3-w","Journal of Solid State Chemistry","2003","173","","148","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532347","10.853","","6.383","","5.157","","90","","90","","90","","357.25","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na Mn (As O4)","","- As Mn Na O4 -","- As Mn Na O4 -","- As4 Mn4 Na4 O16 -","4","0.5","","Ulutagay-Kartin, M.; Etheredge, K.M.S.; Schimek, G.L.; Hwu, S.-J.","Synthesis, structure and magnetic properties of two quasi-low-dimensional antiferromagnets, Na Mn As O4 and beta-(Na Cu P O4)","Journal of Alloys Compd.","2002","338","","80","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532348","10.26111","","3.45219","","12.049","","90","","90","","90","","426.815","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Dy4 O8","","- Ba Dy4 O8 Sr -","- Ba Dy4 O8 Sr -","- Ba2 Dy8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Dillingham, J.; Kaduk, J.A.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532351","10.23438","","3.43224","","12.01585","","90","","90","","90","","422.079","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Ho4 O8","","- Ba Ho4 O8 Sr -","- Ba Ho4 O8 Sr -","- Ba2 Ho8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532395","7.9141","","15.1829","","8.006","","90","","90","","90","","961.993","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Pr5 Ge4","","- Ge4 Pr5 -","- Ge4 Pr5 -","- Ge16 Pr20 -","4","0.5","","Yang, H.F.; Rao, G.-H.; Ouyang, Z.W.; Chu, W.G.; Liu, G.Y.; Liang, J.K.","Crystal structure and phase relationships in the pseudobinary system (Pr5 Si4) - (Pr5 Ge4)","Journal of Alloys Compd.","2002","339","","189","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","158101","2020-10-21","18:00:00",""
"1532396","7.6939","","15.1054","","7.9439","","90","","90","","90","","923.236","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Nd5 (Si2.8 Ge1.2)","","- Ge1.2 Nd5 Si2.8 -","- Ge1.2 Nd5 Si2.8 -","- Ge4.8 Nd20 Si11.2 -","4","0.5","","Yang, H.F.; Rao, G.-H.; Liu, G.Y.; Ouyang, Z.W.; Liu, W.F.; Feng, X.M.; Chu, W.G.; Liang, J.K.","Crystal structure and phase relationships in the pseudobinary system (Nd5 Si4) - (Nd5 Ge4)","Journal of Alloys Compd.","2002","346","","190","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","158102","2020-10-21","18:00:00",""
"1532398","7.8631","","15.1163","","7.9559","","90","","90","","90","","945.646","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Nd5 Ge4","","- Ge4 Nd5 -","- Ge4 Nd5 -","- Ge16 Nd20 -","4","0.5","","Yang, H.F.; Rao, G.-H.; Liu, W.F.; Ouyang, Z.W.; Liu, G.Y.; Feng, X.M.; Chu, W.G.; Liang, J.K.","Crystal structure and phase relationships in the pseudobinary system (Nd5 Si4) - (Nd5 Ge4)","Journal of Alloys Compd.","2002","346","","190","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","158104","2020-10-21","18:00:00",""
"1532402","10.1226","","3.472","","12.0482","","90","","90","","90","","423.442","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr Gd2 O4","","- Gd2 O4 Sr -","- Gd2 O4 Sr -","- Gd8 O16 Sr4 -","4","0.5","","Yang, L.T.; Liang, J.K.; Chang, H.; Song, G.B.; Rao, G.-H.","Compounds and phase relations in the (Sr O) - (Fe2 O3) - (Cu O), (Sr O) - (Fe2 O3) - (Gd2 O3) and (Gd2 O3) - (Fe2 O3) - (Cu O) ternary systems","Journal of Alloys Compd.","2003","353","","301","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532412","8.6741","","4.423","","7.6592","","90","","90","","90","","293.849","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La Ni Sn D2","","- D2 La Ni Sn -","- D1.99 La Ni Sn -","- D7.96 La4 Ni4 Sn4 -","4","0.5","","Yartys', V.A.; Olavesen, T.; Fjellvag, H.; Hauback, B.C.; Brinks, H.W.","Hexagonal La Ni Sn D2 with a filled (Zr Be Si)-type structure","Journal of Alloys Compd.","2002","330","","141","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532444","6.616","","7.013","","4.392","","90","","90","","90","","203.78","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Eu F3 -","- Eu F3 -","- Eu4 F12 -","4","0.5","","Zinchenko, V.F.; Zakharenko, M.I.; Efryushina, N.P.; Markiv, V.Ya.; Belyavina, N.M.; Eryomin, O.G.; Mozkova, O.V.","Synthesis, structure and optical properties of Eu F3 film-forming material","Journal of Alloys Compd.","2002","347","","1","3","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532507","7.784","0.0004","22.5821","0.0014","9.6099","0.0004","90","","90","","90","","1689.22","0.15","100","0.1","100","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H4 F S3 -","- C8 H4 F S3 -","- C64 H32 F8 S24 -","8","1","","Debnath, Sashi; Bedi, Anjan; Zade, Sanjio S.","Thienopentathiepine: a sulfur containing fused heterocycle for conjugated systems and their electrochemical polymerization","Polym. Chem.","2015","6","44","7658","","10.1039/C5PY01133G","","x-ray","0.71073","MoKα","","0.0398","0.0339","","","0.0782","0.0827","","","","","","1.075","","","","has coordinates","171372","2020-10-21","18:00:00",""
"1532541","15.763","","4.0965","","18.197","","90","","90","","90","","1175.04","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs2 Bi2 Zn S5","","- Bi2 Cs2 S5 Zn -","- Bi2 Cs2 S5 Zn -","- Bi8 Cs8 S20 Zn4 -","4","0.5","","Huang Fuqiang; Somers, R.C.; McFarland, A.D.; van Duyne, R.P.; Ibers, J.A.","Syntheses, structures, optical properties and theoretical calculations of Cs2 Bi2 Zn S5, Cs2 Bi2 Cd S5 and Cs2 Bi2 Mn S5","Journal of Solid State Chemistry","2003","174","","334","341","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532544","15.817","","4.1782","","18.473","","90","","90","","90","","1220.82","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs2 Bi2 Cd S5","","- Bi2 Cd Cs2 S5 -","- Bi2 Cd Cs2 S5 -","- Bi8 Cd4 Cs8 S20 -","4","0.5","","Huang Fuqiang; Somers, R.C.; van Duyne, R.P.; McFarland, A.D.; Ibers, J.A.","Syntheses, structures, optical properties and theoretical calculations of Cs2 Bi2 Zn S5, Cs2 Bi2 Cd S5 and Cs2 Bi2 Mn S5","Journal of Solid State Chemistry","2003","174","","334","341","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532547","15.83","","4.1515","","18.372","","90","","90","","90","","1207.38","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs2 Bi2 Mn S5","","- Bi2 Cs2 Mn S5 -","- Bi2 Cs2 Mn S5 -","- Bi8 Cs8 Mn4 S20 -","4","0.5","","Huang Fuqiang; Somers, R.C.; McFarland, A.D.; van Duyne, R.P.; Ibers, J.A.","Syntheses, structures, optical properties and theoretical calculations of Cs2 Bi2 Zn S5, Cs2 Bi2 Cd S5 and Cs2 Bi2 Mn S5","Journal of Solid State Chemistry","2003","174","","334","341","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532599","7.123","","4.162","","8.18","","90","","90","","90","","242.504","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Gd Mn Ge","","- Gd Ge Mn -","- Gd Ge Mn -","- Gd4 Ge4 Mn4 -","4","0.5","","Ivanova, T.I.; Nikitin, S.A.; Morozkin, A.V.; Warchulska, J.; Ovchenkova, I.A.; Bogdanov, A.E.; Suski, W.; Gilewski, A.","A magnetic study of (TiNiSi)-type Gd Mn1-x Tix Ge alloys","Journal of Alloys Compd.","2004","365","","15","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532600","7.133","","4.156","","8.197","","90","","90","","90","","242.998","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Gd (Mn0.95 Ti0.05) Ge","","- Gd Ge Mn0.95 Ti0.05 -","- Gd Ge Mn0.95 Ti0.05 -","- Gd4 Ge4 Mn3.8 Ti0.2 -","4","0.5","","Ivanova, T.I.; Nikitin, S.A.; Morozkin, A.V.; Gilewski, A.; Suski, W.; Bogdanov, A.E.; Ovchenkova, I.A.; Warchulska, J.","A magnetic study of (Ti Ni Si)-type Gd Mn1-x Tix Ge alloys","Journal of Alloys Compd.","2004","365","","15","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532601","7.137","","4.151","","8.205","","90","","90","","90","","243.079","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Gd (Mn0.9 Ti0.1) Ge","","- Gd Ge Mn0.9 Ti0.1 -","- Gd Ge Mn0.9 Ti0.1 -","- Gd4 Ge4 Mn3.6 Ti0.4 -","4","0.5","","Ivanova, T.I.; Nikitin, S.A.; Suski, W.; Warchulska, J.; Ovchenkova, I.A.; Morozkin, A.V.; Bogdanov, A.E.; Gilewski, A.","A magnetic study of (Ti Ni Si)-type Gd Mn1-x Tix Ge alloys","Journal of Alloys Compd.","2004","365","","15","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532602","7.145","","4.142","","8.229","","90","","90","","90","","243.534","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Gd (Mn0.8 Ti0.2) Ge","","- Gd Ge Mn0.8 Ti0.2 -","- Gd Ge Mn0.8 Ti0.2 -","- Gd4 Ge4 Mn3.2 Ti0.8 -","4","0.5","","Ivanova, T.I.; Nikitin, S.A.; Morozkin, A.V.; Suski, W.; Ovchenkova, I.A.; Gilewski, A.; Bogdanov, A.E.; Warchulska, J.","A magnetic study of (Ti Ni Si)-type Gd Mn1-x Tix Ge alloys","Journal of Alloys Compd.","2004","365","","15","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532640","5.495","","7.784","","5.53","","90","","90","","90","","236.535","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La (Ga0.5 Mn0.5) O3","","- Ga0.5 La Mn0.5 O3 -","- Ga0.5 La Mn0.5 O3 -","- Ga2 La4 Mn2 O12 -","4","0.5","","Vyshatko, N.P.; Kharton, V.; Shaula, A.L.; Naumovich, E.N.; Marques, F.M.B.","Structural characterization of mixed conducting perovskites La (Ga,M) O3-d (M = Mn, Fe, Co, Ni)","Materials Research Bulletin","2003","38","","185","193","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532643","5.53","","7.822","","5.542","","90","","90","","90","","239.723","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La (Ga0.5 Fe0.5) O3","","- Fe0.5 Ga0.5 La O3 -","- Fe0.5 Ga0.5 La O3 -","- Fe2 Ga2 La4 O12 -","4","0.5","","Vyshatko, N.P.; Kharton, V.; Shaula, A.L.; Naumovich, E.N.; Marques, F.M.B.","Structural characterization of mixed conducting perovskites La (Ga,M) O3-d (M = Mn, Fe, Co, Ni)","Materials Research Bulletin","2003","38","","185","193","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532720","10.265","","4.6234","","9.8779","","90","","90","","90","","468.797","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ce Pd3 In2","","- Ce In2 Pd3 -","- Ce In2 Pd3 -","- Ce4 In8 Pd12 -","4","0.5","","Nesterenko, S.N.; Tursina, A.I.; Rogl, P.; Seropegin, Yu.D.","Single crystal investigation of Ce Pd3 In2","Journal of Alloys Compd.","2004","373","","220","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532737","10.2105","","4.2755","","10.987","","90","","90","","90","","479.637","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ba (Al2 Ge2)","","- Al2 Ba Ge2 -","- Al2 Ba Ge2 -","- Al8 Ba4 Ge8 -","4","0.5","","Leoni, S.; Carrillo-Cabrera, W.; Schnelle, W.; Grin', Yu.","Ba Al2 Ge2 : synthesis, crystal structure, magnetic and electronic properties, chemical bonding and atomistic model of the alpha - beta phase transition","Solid State Sciences","2003","5","","139","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532757","5.8043","","8.1524","","5.725","","90","","90","","90","","270.901","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(La0.9 Sr0.1) Sc O2.95","","- La0.9 O2.95 Sc Sr0.1 -","- La0.9 O2.9499 Sc Sr0.1 -","- La3.6 O11.7996 Sc4 Sr0.4 -","4","0.5","","Nomura, K.; Takeuchi, T.; Kageyama, H.; Miyazaki, Y.","High temperature crystallographic study of (La0.9 Sr0.1) M(III) O3-d (M(III) = Sc, In and Lu) perovskite proton conductor","Solid State Ionics","2003","162","","99","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532760","5.9454","","8.2764","","5.77201","","90","","90","","90","","284.02","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(La0.9 Sr0.1) In O2.95","","- In La0.9 O2.95 Sr0.1 -","- In La0.9 O2.9499 Sr0.1 -","- In4 La3.6 O11.7996 Sr0.4 -","4","0.5","","Nomura, K.; Takeuchi, T.; Kageyama, H.; Miyazaki, Y.","High temperature crystallographic study of (La0.9 Sr0.1) M(III) O3-d (M(III) = Sc, In and Lu) perovskite proton conductor","Solid State Ionics","2003","162","","99","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532762","6.0382","","8.4245","","5.8616","","90","","90","","90","","298.173","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(La0.9 Sr0.1) Lu O2.95","","- La0.9 Lu O2.95 Sr0.1 -","- La0.9 Lu O2.9499 Sr0.1 -","- La3.6 Lu4 O11.7996 Sr0.4 -","4","0.5","","Nomura, K.; Miyazaki, Y.; Kageyama, H.; Takeuchi, T.","High temperature crystallographic study of (La0.9 Sr0.1) M(III) O3-d (M(III) = Sc, In and Lu) perovskite proton conductor","Solid State Ionics","2003","162","","99","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532768","10.2434","","3.43107","","12.0221","","90","","90","","90","","422.527","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Y4 O8","","- Ba O8 Sr Y4 -","- Ba O8 Sr Y4 -","- Ba2 O16 Sr2 Y8 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532770","10.21534","","3.41465","","11.97533","","90","","90","","90","","417.721","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Er4 O8","","- Ba Er4 O8 Sr -","- Ba Er4 O8 Sr -","- Ba2 Er8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532772","10.17143","","3.40117","","11.92002","","90","","90","","90","","412.37","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Tm4 O8","","- Ba O8 Sr Tm4 -","- Ba O8 Sr Tm4 -","- Ba2 O16 Sr2 Tm8 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532774","6.676","","7.062","","4.411","","90","","90","","90","","207.961","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Sm F3","","- F3 Sm -","- F3 Sm -","- F12 Sm4 -","4","0.5","","Bukvetskii, B.V.; Garashina, L.S.","Crystal-chemical investigation of the orthorhombic trifluorides of samarium, holmium, and ytterbium","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1977","3","","1024","1029","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532776","10.15475","","3.38199","","11.87965","","90","","90","","90","","407.986","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Yb4 O8","","- Ba O8 Sr Yb4 -","- Ba O8 Sr Yb4 -","- Ba2 O16 Sr2 Yb8 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532778","6.218","","6.785","","4.431","","90","","90","","90","","186.94","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Yb F3","","- F3 Yb -","- F3 Yb -","- F12 Yb4 -","4","0.5","","Bukvetskii, B.V.; Garashina, L.S.","Crystal-chemical investigation of the orthorhombic trifluorides of samarium, holmium, and ytterbium","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1977","3","","1024","1029","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532780","10.12504","","3.36249","","11.84691","","90","","90","","90","","403.332","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Lu4 O8","","- Ba Lu4 O8 Sr -","- Ba Lu4 O8 Sr -","- Ba2 Lu8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532784","6.03503","","3.85311","","6.94355","","90","","90","","90","","161.463","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mo Ru P","","- Mo P Ru -","- Mo P Ru -","- Mo4 P4 Ru4 -","4","0.5","","Wong-Ng, W.; Ching, W.Y.; Kaduk, J.A.; Shirotani, I.; Xu Yongnian; Swartzendruber, L.","Structure and electronic properties of the orthorhombic Mo Ru P superconductor prepaared at high pressure","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2003","67","","144523-1","144523-9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532831","18.344","","13.3034","","7.4497","","90","","90","","90","","1818.01","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Zn5 (N H3 (C H2)4 N H3) (P O4)4","","- C4 H14 N2 O16 P4 Zn5 -","- C4 N2 O16 P4 Zn5 -","- C16 N8 O64 P16 Zn20 -","4","0.5","","Xing Yan; Fu Yunlong; Shi Zhan; Hua Jia; Zhang Ping; Cui Yanjie; Pang Wenqin","Hydrothermal synthesis and characterization of an open framework zincophosphate with Zn4 O4 tetrameric clusters","Gaodeng Xuexiao Huaxue Xuebao","2003","24","","377","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","158822","2020-10-21","18:00:00",""
"1532867","19.423","","3.9793","","18.1191","","90","","90","","90","","1400.42","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","La5 Ti2 Cu S5 O7","","- Cu La5 O7 S5 Ti2 -","- Cu La5 O7 S5 Ti2 -","- Cu4 La20 O28 S20 Ti8 -","4","0.5","","Meignen, V.; Cario, L.; Lafond, A.; Moelo, Y.; Meerschaut, A.; Guillot-Deudon, C.","Crystal structures of two new oxysulfides La5 Ti2 M S5 O7 (M = Cu, Ag): evidence of anionic segregation","Journal of Solid State Chemistry","2004","177","","2810","2817","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532888","10.523","","7.892","","13.354","","90","","90","","90","","1109.02","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Zn (N H3)4) (B F4)2","","- B2 F8 H12 N4 Zn -","- B2 F8 H12 N4 Zn -","- B8 F32 H48 N16 Zn4 -","4","0.5","","Migdal-Mikuli, A.; Holderna-Natkaniec, K.; Mikuli, E.; Natkaniec, I.; Hetmanczyk, L.; Lasocha, W.","Phase transitions, structural changes and molecular motions in (Zn (N H3)4) (B F4)2 studied by neutron scattering, X-ray powder diffraction and nuclear magnetic resonance","Journal of Solid State Chemistry","2003","174","","357","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1532936","7.165","","4.476","","7.152","","90","","90","","90","","229.369","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sm Ru Ge","","- Ge Ru Sm -","- Ge Ru Sm -","- Ge4 Ru4 Sm4 -","4","0.5","","Morozkin, A.V.; Seropegin, Yu.D.","Sm - Ru - Ge system at 1070 K","Journal of Alloys Compd.","2004","365","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532961","5.5376","","7.7864","","5.5039","","90","","90","","90","","237.317","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ce (V O3)","","- Ce O3 V -","- Ce O3 V -","- Ce4 O12 V4 -","4","0.5","","Munoz, A.; Alonso, J.A.; Casais, M.T.; Martinez-Lope, M.J.; Martinez, J.L.; Fernandez-Diaz, M.T.","Crystallographic and magnetic transitions in Ce V O3 : a neutron diffraction study","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2003","68","","144429-1","144429-11","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533056","6.814","","13.235","","6.948","","90","","90","","90","","626.593","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Hf2.27 Nb2.73) Ge4","","- Ge4 Hf2.27 Nb2.73 -","- Ge4 Hf2.277 Nb2.723 -","- Ge16 Hf9.108 Nb10.892 -","4","0.5","","Richter, K.W.; Picha, R.; Ipser, H.; Franzen, H.F.","Fractional site occupation of Hf5-x Nbx Ge4 : crystallographic investigation and thermodynamic modeling","Solid State Sciences","2003","5","","653","662","","","","","","","","","","","","","","","","","","","","","","has coordinates","159140","2020-10-21","18:00:00",""
"1533067","5.6543","","7.9666","","5.6479","","90","","90","","90","","254.413","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Sr0.5 La0.5) (Ta O1.5 N1.5)","","- La0.5 N1.5 O1.5 Sr0.5 Ta -","- La0.5 N1.5 O1.5 Sr0.5 Ta -","- La2 N6 O6 Sr2 Ta4 -","4","0.5","","Rooke, J.; Weller, M.","Synthesis and characterisation of perovskite-type oxynitrides","Diffusion and Defect Data - Solid State Data B: Solid State Phenomena","2003","90","","417","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533088","7.5594","","4.6605","","8.0496","","90","","90","","90","","283.592","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- La Pt Sn -","- La Pt Sn -","- La4 Pt4 Sn4 -","4","0.5","","Divis, M.; Opahle, I.; Rusz, J.; Sechovsky, V.; Janousova, B.; Richter, M.","Electronic structure and lattice geometry of La Pt Sn","Journal of Alloys Compd.","2004","376","","28","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533097","4.9758","","8.8089","","12.9295","","90","","90","","90","","566.717","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs (Si2 O4 (O H))","","- Cs H O5 Si2 -","- Cs H O5 Si2 -","- Cs4 H4 O20 Si8 -","4","0.5","","Doersam, G.; Kahlenberg, V.; Fischer, R.X.","Single crystal X-ray diffraction study of Cs H Si2 O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","981","984","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533137","5.49","","7.7578","","5.5227","","90","","90","","90","","235.214","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.7 Ba0.3) Mn O3","","- Ba0.3 Mn O3 Pr0.7 -","- Ba0.3 Mn O3 Pr0.7 -","- Ba1.2 Mn4 O12 Pr2.8 -","4","0.5","","Ellouze, M.; Boujelben, W.; Fuess, H.","Rietveld refinement X-ray powder data of Pr0.7 Ba0.3 Mn O3","Powder Diffraction","2003","18","","29","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533138","5.4983","","7.7684","","5.5127","","90","","90","","90","","235.464","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.7 Ba0.2) (Mn O3)","","- Ba0.2 Mn O3 Pr0.7 -","- Ba0.2 Mn O3 Pr0.7 -","- Ba0.8 Mn4 O12 Pr2.8 -","4","0.5","","Ellouze, M.; Boujelben, W.; Cheikhrouhou, A.; Fuess, H.; Madar, R.","Vacancy effects on the crystallographic and magnetic properties in lacunar Pr0.7 Ba0.3-x Mn O3 oxides","Solid State Communications","2002","124","","125","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533141","13.328","","8.7912","","12.214","","90","","90","","90","","1431.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs4 ((V O S2)2 O)","","- Cs4 O3 S4 V2 -","- Cs4 O3 S4 V2 -","- Cs16 O12 S16 V8 -","4","0.5","","Emirdag-Eanes, M.; Ibers, J.A.","Synthesis and characterization of two vanadium chalcogenides, (N H4) (H (V O) (Se O3)2) and Cs4 ((V O S2)2 (mue-O)), prepared solvothermally","Journal of Alloys Compd.","2003","361","","66","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","159243","2020-10-21","18:00:00",""
"1533146","5.9772","","7.5095","","5.2311","","90","","90","","90","","234.802","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Cu0.75 Mn0.25) (Se O3)","","- Cu0.75 Mn0.25 O3 Se -","- Cu0.75 Mn0.25 O3 Se -","- Cu3 Mn O12 Se4 -","4","0.5","","Escamilla, R.; Duran, A.; Alario-Franco, M.A.; Moran, E.; Rosales, M.I.","The effect of Mn substitution on the structure and magnetic properties of Se (Cu1-x Mnx) O3 solid solution","Journal of Physics: Condensed Matter","2003","15","","1951","1961","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533147","6.0044","","7.6581","","5.1954","","90","","90","","90","","238.896","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Cu0.5 Mn0.5) (Se O3)","","- Cu0.5 Mn0.5 O3 Se -","- Cu0.5 Mn0.5 O3 Se -","- Cu2 Mn2 O12 Se4 -","4","0.5","","Escamilla, R.; Duran, A.; Rosales, M.I.; Moran, E.; Alario-Franco, M.A.","The effect of Mn substitution on the structure and magnetic properties of Se (Cu1-x Mnx) O3 solid solution","Journal of Physics: Condensed Matter","2003","15","","1951","1961","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533148","6.069","","7.8299","","5.1538","","90","","90","","90","","244.907","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Cu0.25 Mn0.75) (Se O3)","","- Cu0.25 Mn0.75 O3 Se -","- Cu0.25 Mn0.75 O3 Se -","- Cu Mn3 O12 Se4 -","4","0.5","","Escamilla, R.; Duran, A.; Rosales, M.I.; Moran, E.; Alario-Franco, M.A.","The effect of Mn substitution on the structure and magnetic properties of Se (Cu1-x Mnx) O3 solid solution","Journal of Physics: Condensed Matter","2003","15","","1951","1961","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533149","6.0937","","7.8651","","5.1434","","90","","90","","90","","246.511","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mn (Se O3)","","- Mn O3 Se -","- Mn O3 Se -","- Mn4 O12 Se4 -","4","0.5","","Escamilla, R.; Duran, A.; Moran, E.; Rosales, M.I.; Alario-Franco, M.A.","The effect of Mn substitution on the structure and magnetic properties of Se (Cu1-x Mnx) O3 solid solution","Journal of Physics: Condensed Matter","2003","15","","1951","1961","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533243","7.689","","14.8196","","7.78","","90","","90","","90","","886.515","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd5 Ge4 -","- Gd5 Ge4 -","- Gd20 Ge16 -","4","0.5","","Yang, H.F.; Liu, G.Y.; Rao, G.-H.; Liang, J.K.; Ouyang, Z.W.; Feng, X.M.; Liu, W.F.; Chu, W.G.","Crystal structures of compounds in the pseudobinary system (Gd5 Ge4) - (La5 Ge4)","Journal of Alloys Compd.","2003","361","","113","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533245","8.0761","","15.5209","","8.1725","","90","","90","","90","","1024.41","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","La5 Ge4","","- Ge4 La5 -","- Ge4 La5 -","- Ge16 La20 -","4","0.5","","Yang, H.F.; Rao, G.-H.; Liu, G.Y.; Ouyang, Z.W.; Feng, X.M.; Liu, W.F.; Chu, W.G.; Liang, J.K.","Crystal structures of compounds in the pseudobinary system (Gd5 Ge4) - (La5 Ge4)","Journal of Alloys Compd.","2003","361","","113","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","159379","2020-10-21","18:00:00",""
"1533269","5.548","","7.814","","5.529","","90","","90","","90","","239.694","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.9 Pb0.1) (Mn O3)","","- Mn O3 Pb0.1 Pr0.9 -","- Mn O3 Pb0.1 Pr0.9 -","- Mn4 O12 Pb0.4 Pr3.6 -","4","0.5","","Yin Rizhu; Park Jong Wook; Yo Chul Hyun; Oh Seung Keun; Choi Hannim","Structural, magnetic and transport properties of the negative magnetoresistive Pr1-x Pbx Mn O3-y alloys","Materials Chemistry and Physics","2004","86","","137","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533270","5.535","","7.836","","5.528","","90","","90","","90","","239.762","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.8 Pb0.2) (Mn O3)","","- Mn O3 Pb0.2 Pr0.8 -","- Mn O3 Pb0.2 Pr0.8 -","- Mn4 O12 Pb0.8 Pr3.2 -","4","0.5","","Yin Rizhu; Park Jong Wook; Choi Hannim; Oh Seung Keun; Yo Chul Hyun","Structural, magnetic and transport properties of the negative magnetoresistive Pr1-x Pbx Mn O3-y alloys","Materials Chemistry and Physics","2004","86","","137","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533293","5.4627","","7.6742","","5.4922","","90","","90","","90","","230.243","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(La0.18 Pr0.42 Sr0.4) (Mn O3)","","- La0.18 Mn O3 Pr0.42 Sr0.4 -","- La0.18 Mn O3 Pr0.42 Sr0.4 -","- La0.72 Mn4 O12 Pr1.68 Sr1.6 -","4","0.5","","Zemni, S.; Cherif, K.; Dhahri, Ja.; Oumezzine, M.; Dhahri, J.; Ghedira, M.; Vincent, H.","The effect of cation radii on structural, magnetic and electrical properties of doped manganites La0.6-x Prx Sr0.4 Mn O3","Journal of Solid State Chemistry","2004","177","","2387","2393","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533294","5.4544","","7.6712","","5.4868","","90","","90","","90","","229.578","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(La0.06 Pr0.54 Sr0.4) (Mn O3)","","- La0.06 Mn O3 Pr0.54 Sr0.4 -","- La0.06 Mn O3 Pr0.54 Sr0.4 -","- La0.24 Mn4 O12 Pr2.16 Sr1.6 -","4","0.5","","Zemni, S.; Cherif, K.; Dhahri, Ja.; Ghedira, M.; Dhahri, J.; Vincent, H.; Oumezzine, M.","The effect of cation radii on structural, magnetic and electrical properties of doped manganites La0.6-x Prx Sr0.4 Mn O3","Journal of Solid State Chemistry","2004","177","","2387","2393","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533296","5.4483","","7.6681","","5.4786","","90","","90","","90","","228.886","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.6 Sr0.4) (Mn O3)","","- Mn O3 Pr0.6 Sr0.4 -","- Mn O3 Pr0.6 Sr0.4 -","- Mn4 O12 Pr2.4 Sr1.6 -","4","0.5","","Zemni, S.; Dhahri, Ja.; Cherif, K.; Dhahri, J.; Vincent, H.; Oumezzine, M.; Ghedira, M.","The effect of cation radii on structural, magnetic and electrical properties of doped manganites La0.6-x Prx Sr0.4 Mn O3","Journal of Solid State Chemistry","2004","177","","2387","2393","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533340","8.51","","4.058","","18.151","","90","","90","","90","","626.819","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","K ((Cd0.84 Hg0.16) Cl3) (H2 O)","","- Cd0.84 Cl3 H2 Hg0.16 K O -","- Cd0.84 Cl3 H2 Hg0.16 K O -","- Cd3.36 Cl12 H8 Hg0.64 K4 O4 -","4","0.5","","Zouari, F.; Ben Salah, A.; Savariault, J.M.","Crystal structure and phase transition in the mixed compound K Cd0.84 Hg0.16 Cl3 * (H2 O)","Solid State Sciences","2003","5","","1069","1074","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533349","10.993","","6.524","","6.903","","90","","90","","90","","495.072","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Na P5 -","- Na P5 -","- Na4 P20 -","4","0.5","","Chen Xuean; Yamanaka, S.","High-pressure synthesis and crystal structures of two new polyphosphides, Na P5 and Ce P5","Journal of Alloys Compd.","2004","370","","110","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533356","10.6476","","6.6224","","10.2537","","90","","90","","90","","723.016","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Na2 Sr ((V O) (P O4)2)","","- Na2 O9 P2 Sr V -","- Na2 O9 P2 Sr V -","- Na8 O36 P8 Sr4 V4 -","4","0.5","","Chernaya, V.V.; Antipov, E.V.; Tsirlin, A.A.; Shpanchenko, R.V.; Hadermann, J.; Gippius, A.A.; Geibel, C.; D'yakov, V.; Morozova, E.N.; Kaul, E.E.","Cryystal structure and properties of the new vanadyl(IV) phosphates Na2 M V O (P O4)2, M = Ca and Sr","Journal of Solid State Chemistry","2004","177","","2875","2880","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533357","10.5233","","6.5578","","10.0536","","90","","90","","90","","693.796","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Na2 Ca ((V O) (P O4)2)","","- Ca Na2 O9 P2 V -","- Ca Na2 O9 P2 V -","- Ca4 Na8 O36 P8 V4 -","4","0.5","","Chernaya, V.V.; Tsirlin, A.A.; Shpanchenko, R.V.; Gippius, A.A.; D'yakov, V.; Antipov, E.V.; Morozova, E.N.; Geibel, C.; Kaul, E.E.; Hadermann, J.","Crystal structure and properties of the new vanadyl(IV) phosphates Na2 M V O (P O4)2, M = Ca and Sr","Journal of Solid State Chemistry","2004","177","","2875","2880","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533359","7.2469","","4.3083","","7.2379","","90","","90","","90","","225.98","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ce Ni Ge","","- Ce Ge Ni -","- Ce Ge Ni -","- Ce4 Ge4 Ni4 -","4","0.5","","Chevalier, B.; Pasturel, M.; Etourneau, J.; Bobet, J.L.; Weill, F.; Decourt, R.","The new hydrides Ce Ni Ge H1.6 and Ce Cu Ge H1.0 crystallizing in the derivative hexagonal(Zr Be Si)-type structure","Journal of Solid State Chemistry","2004","177","","752","759","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533415","18.615","","5.771","","11.098","","90","","90","","90","","1192.23","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Ba5 Ru1.622 Al1.293 Cu0.085 O11","","- Al1.293 Ba5 Cu0.085 O11 Ru1.622 -","- Al1.293 Ba5 Cu0.085 O11 Ru1.622 -","- Al5.172 Ba20 Cu0.34 O44 Ru6.488 -","4","0.5","","Schuepp, B.; Shlyk, L.; Prots', Yu.; Krabbes, G.; Baecher, I.","Preparation and crystal structure of members of the solid solution phase Ba5 Ru2-x Al1+x-y Cuy O11 with x = 0.378, y = 0.085 and x = 0.5, y = 0","Journal of Solid State Chemistry","2004","177","","1393","1400","","","","","","","","","","","","","","","","","","","","","","has coordinates","159656","2020-10-21","18:00:00",""
"1533417","18.6654","","5.7736","","11.0693","","90","","90","","90","","1192.9","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba5 (Ru1.62 Al1.38 O11)","","- Al1.38 Ba5 O11 Ru1.62 -","- Al1.38 Ba5 O11 Ru1.62 -","- Al5.52 Ba20 O44 Ru6.48 -","4","0.5","","Schuepp, B.; Shlyk, L.; Prots', Yu.; Krabbes, G.; Baecher, I.","Preparation and crystal structure of members of the solid solution phase Ba5 Ru2-x Al1+x-y Cuy O11 with x = 0.378, y = 0.085 and x = 0.5, y = 0","Journal of Solid State Chemistry","2004","177","","1393","1400","","","","","","","","","","","","","","","","","","","","","","has coordinates","159659","2020-10-21","18:00:00",""
"1533475","6.0415","","8.6032","","6.0748","","90","","90","","90","","315.745","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","(Ba0.5 Sr0.5) ((Ce0.475 Zr0.475 Yb0.05) O2.975)","","- Ba0.5 Ce0.475 O2.975 Sr0.5 Yb0.05 Zr0.475 -","- Ba0.5 Ce0.475 O2.976 Sr0.5 Yb0.05 Zr0.475 -","- Ba2 Ce1.9 O11.904 Sr2 Yb0.2 Zr1.9 -","4","0.5","","Antoine, O.; Hatchwell, C.; McEvoy, A.J.; Mather, G.C.","Structure and conductivity of a Yb-doped (Sr Ce O3) - (Ba Zr O3) solid solution","Electrochemical Society Proceedings","2003","7","","379","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","159720","2020-10-21","18:00:00",""
"1533532","5.871","","5.099","","8.239","","90","","90","","90","","246.645","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(La0.8 Al0.2) (B O3)","","- Al0.2 B La0.8 O3 -","- Al0.2 B La0.8 O3 -","- Al0.8 B4 La3.2 O12 -","4","0.5","","Simon, S.; Djurado, D.; Borodi, G.; Pop, M.","Structural studies of aluminum-doped lanthanum borates","Modern Physics Letters B","2002","16","","915","921","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533613","5.5684","","7.8452","","5.532","","90","","90","","90","","241.667","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr (Ru O3)","","- O3 Ru Sr -","- O3 Ru Sr -","- O12 Ru4 Sr4 -","4","0.5","","Bansal, C.; Kawanaka, H.; Takahashi, R.; Nishihara, Y.","Metal - insulator transition in Fe-substituted Sr Ru O3 bad metal system","Journal of Alloys Compd.","2003","360","","47","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533617","5.56519","","7.8105","","5.5244","","90","","90","","90","","240.129","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Sr0.85 Fe0.15) (Ru0.85 Fe0.15) O3","","- Fe0.3 O3 Ru0.85 Sr0.85 -","- Fe0.3 O3 Ru0.85 Sr0.85 -","- Fe1.2 O12 Ru3.4 Sr3.4 -","4","0.5","","Bansal, C.; Kawanaka, H.; Takahashi, R.; Nishihara, Y.","Metal - insulator transition in Fe-substituted Sr Ru O3 bad metal system","Journal of Alloys Compd.","2003","360","","47","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","159878","2020-10-21","18:00:00",""
"1533673","5.5049","","7.8008","","5.5442","","90","","90","","90","","238.082","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La ((Mn0.9 Rh0.1) O3)","","- La Mn0.9 O3 Rh0.1 -","- La Mn0.9 O3 Rh0.1 -","- La4 Mn3.6 O12 Rh0.4 -","4","0.5","","Haque, M.T.; Satoh, H.; Kamegashira, N.","Temperature-induced phase transition of rhodium-doped La Mn1-x Rhx O3 (0.1 < x < 0.5) - type compounds","Materials Letters","2004","58","","1571","1575","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533681","5.6953","","7.7213","","5.5337","","90","","90","","90","","243.345","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La ((Mn0.9 Rh0.1) O3)","","- La Mn0.9 O3 Rh0.1 -","- La Mn0.9 O3 Rh0.1 -","- La4 Mn3.6 O12 Rh0.4 -","4","0.5","","Haque, M.T.; Satoh, H.; Kamegashira, N.","Crystallographic phase transition, electrical and magnetic properties of stoichiometric La (Mn, Rh) O3","Materials Research Bulletin","2004","39","","375","388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533697","6.2215","","8.7843","","6.1848","","90","","90","","90","","338.009","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K Ca (H0.31 F2.69)","","- Ca F2.69 H0.31 K -","- Ca F2.692 H0.308 K -","- Ca4 F10.768 H1.232 K4 -","4","0.5","","Soulie, J.P.; Laval, J.P.; Bouamrane, A.","Structural characterization of new hydridofluorides K Ca H3-x Fx with x = 1; 1.5; 2; 2.5","Solid State Sciences","2003","5","","273","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533701","6.2347","","8.8105","","6.2083","","90","","90","","90","","341.027","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K Ca (H0.712 F2.288)","","- Ca F2.288 H0.712 K -","- Ca F2.288 H0.712 K -","- Ca4 F9.152 H2.848 K4 -","4","0.5","","Soulie, J.P.; Bouamrane, A.; Laval, J.P.","Structural characterization of new hydridofluorides K Ca H3-x Fx with x = 1; 1.5; 2; 2.5","Solid State Sciences","2003","5","","273","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533705","6.259","","8.819","","6.239","","90","","90","","90","","344.381","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K Ca (H1.294 F1.706)","","- Ca F1.706 H1.294 K -","- Ca F1.706 H1.294 K -","- Ca4 F6.824 H5.176 K4 -","4","0.5","","Soulie, J.P.; Laval, J.P.; Bouamrane, A.","Structural characterization of new hydridofluorides K Ca H3-x Fx with x = 1; 1.5; 2; 2.5","Solid State Sciences","2003","5","","273","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533709","6.268","","8.866","","6.274","","90","","90","","90","","348.659","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K Ca (H1.764 F1.236)","","- Ca F1.236 H1.764 K -","- Ca F1.236 H1.764 K -","- Ca4 F4.944 H7.056 K4 -","4","0.5","","Soulie, J.P.; Bouamrane, A.; Laval, J.P.","Structural characterization of new hydridofluorides K Ca H3-x Fx with x = 1; 1.5; 2; 2.5","Solid State Sciences","2003","5","","273","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533717","5.33","","7.519","","5.329","","90","","90","","90","","213.566","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Ca0.791 Bi0.196) (Mn O3)","","- Bi0.196 Ca0.791 Mn O3 -","- Bi0.196 Ca0.791 Mn O3 -","- Bi0.784 Ca3.164 Mn4 O12 -","4","0.5","","Sousa, P.M.; Carvalho, M.D.; Melo Jorge, M.E.; Costa, F.M.; Cruz, M.M.; Godinho, M.","Bismuth for calcium substitution in Ca4 Mn3 O10: preparation and study","Solid State Sciences","2003","5","","943","949","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533767","5.4521","","7.7046","","5.4647","","90","","90","","90","","229.552","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Nd0.6 Mg0.1 Sr0.3) (Mn O3)","","- Mg0.1 Mn Nd0.6 O3 Sr0.3 -","- Mg0.1 Mn Nd0.6 O3 Sr0.3 -","- Mg0.4 Mn4 Nd2.4 O12 Sr1.2 -","4","0.5","","Tseggai, M.; Mathieu, R.; Nordblad, P.; Tellgren, R.; Bau, L.V.; Khiem, N.V.; Phuc, N.X.; Andre, G.; Nam, D.N.H.; Bouree, F.","Magnesium substitution in Nd0.7 Sr0.3 Mn O3","Journal of Solid State Chemistry","2004","177","","966","971","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533769","5.4424","","7.6919","","5.4523","","90","","90","","90","","228.246","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Nd0.6 Mg0.1 Sr0.3) ((Mn0.8 Mg0.2) O3)","","- Mg0.3 Mn0.8 Nd0.6 O3 Sr0.3 -","- Mg0.3 Mn0.8 Nd0.6 O3 Sr0.3 -","- Mg1.2 Mn3.2 Nd2.4 O12 Sr1.2 -","4","0.5","","Tseggai, M.; Bouree, F.; Mathieu, R.; Tellgren, R.; Nordblad, P.; Bau, L.V.; Nam, D.N.H.; Khiem, N.V.; Phuc, N.X.; Andre, G.","Magnesium substitution in Nd0.7 Sr0.3 Mn O3","Journal of Solid State Chemistry","2004","177","","966","971","","","","","","","","","","","","","","","","","","","","","","has coordinates","160046","2020-10-21","18:00:00",""
"1533790","9.009","","5.767","","7.399","","90","","90","","90","","384.414","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K (Al H4)","","- Al H4 K -","- Al H4 K -","- Al4 H16 K4 -","4","0.5","","Vajeeston, P.; Ravindran, P.; Kjekshus, A.; Fjellvag, H.","Crystal structure of K Al H4 from first principle calculations","Journal of Alloys Compd.","2004","363","","L7","L11","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533797","5.4678","","7.7336","","5.4814","","90","","90","","90","","231.785","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Nd0.7 Ba0.1 Sr0.2) (Mn O3)","","- Ba0.1 Mn Nd0.7 O3 Sr0.2 -","- Ba0.1 Mn Nd0.7 O3 Sr0.2 -","- Ba0.4 Mn4 Nd2.8 O12 Sr0.8 -","4","0.5","","Suard, E.; Fauth, F.; Martin, C.; Keller, L.; Maignan, A.; Millange, F.","Role of the A-site cations on the magnetic structures and transport properties in the Nd0.7 Ba0.3-y Sry Mn O3 (0 <= y <= 0.2) perovskite","Journal of Magnetism and Magnetic Materials","2003","264","","221","233","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533803","5.4792","","7.748","","5.4961","","90","","90","","90","","233.325","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Nd0.7 Ba0.2 Sr0.1) (Mn O3)","","- Ba0.2 Mn Nd0.7 O3 Sr0.1 -","- Ba0.2 Mn Nd0.7 O3 Sr0.1 -","- Ba0.8 Mn4 Nd2.8 O12 Sr0.4 -","4","0.5","","Suard, E.; Keller, L.; Fauth, F.; Maignan, A.; Millange, F.; Martin, C.","Role of the A-site cations on the magnetic structures and transport properties in the Nd0.7 Ba0.3-y Sry Mn O3 (0 <= y <= 0.2) perovskite","Journal of Magnetism and Magnetic Materials","2003","264","","221","233","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533807","5.4853","","7.7541","","5.5065","","90","","90","","90","","234.211","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Nd0.7 Ba0.25 Sr0.05) (Mn O3)","","- Ba0.25 Mn Nd0.7 O3 Sr0.05 -","- Ba0.25 Mn Nd0.7 O3 Sr0.05 -","- Ba Mn4 Nd2.8 O12 Sr0.2 -","4","0.5","","Suard, E.; Millange, F.; Fauth, F.; Keller, L.; Maignan, A.; Martin, C.","Role of the A-site cations on the magnetic structures and transport properties in the Nd0.7 Ba0.3-y Sry Mn O3 (0 <= y <= 0.2) perovskite","Journal of Magnetism and Magnetic Materials","2003","264","","221","233","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533826","7.9434","","11.8499","","8.5918","","90","","90","","90","","808.733","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","((C H3) (N D3)) Pb Br3","","- C H3 Br3 D3 N Pb -","- C H3 Br3 D3 N Pb -","- C4 H12 Br12 D12 N4 Pb4 -","4","0.5","","Swainson, I.P.; Hammond, R.P.; Soulliere, C.; Knop, O.; Massa, W.","Phase transitions in the perovskite methylammonium lead bromide, C H3 N D3 Pb Br3","Journal of Solid State Chemistry","2003","176","","97","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533846","7.1","","4.583","","7.88","","90","","90","","90","","256.41","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ho Pd Sn -","- Ho Pd Sn -","- Ho4 Pd4 Sn4 -","4","0.5","","Szytula, A.; Penc, B.; Oles, A.; Stuesser, N.","Magnetic structure of the Ho Pd Sn compound","Journal of Alloys Compd.","2004","370","","L14","L16","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533864","5.5311","","7.646","","5.3408","","90","","90","","90","","225.867","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca (Ru O3)","","- Ca O3 Ru -","- Ca O3 Ru -","- Ca4 O12 Ru4 -","4","0.5","","Vidya, R.; Ravindran, P.; Fjellvag, H.; Kjekshus, A.; Hauback, B.C.","Magnetic properties of Ca-doped Sr Ru O3 from full-potential calculations","Journal of Solid State Chemistry","2004","177","","146","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533946","6.979","","4.079","","8.091","","90","","90","","90","","230.329","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Er Mn Ge","","- Er Ge Mn -","- Er Ge Mn -","- Er4 Ge4 Mn4 -","4","0.5","","Klosek, V.; Verniere, A.; Ouladdiaf, B.; Malaman, B.","Crystal and magnetic structures of the R(=Y, Dy-Tm) Mn Ge compounds","Journal of Magnetism and Magnetic Materials","2003","256","","69","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533950","7.037","","4.094","","8.092","","90","","90","","90","","233.126","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dy Mn Ge","","- Dy Ge Mn -","- Dy Ge Mn -","- Dy4 Ge4 Mn4 -","4","0.5","","Klosek, V.; Verniere, A.; Ouladdiaf, B.; Malaman, B.","Crystal and magnetic structures of the R(=Y, Dy-Tm) Mn Ge compounds","Journal of Magnetism and Magnetic Materials","2003","256","","69","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533953","7.006","","4.091","","8.104","","90","","90","","90","","232.273","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ho Mn Ge","","- Ge Ho Mn -","- Ge Ho Mn -","- Ge4 Ho4 Mn4 -","4","0.5","","Klosek, V.; Verniere, A.; Malaman, B.; Ouladdiaf, B.","Crystal and magnetic structures of the R(=Y, Dy-Tm) Mn Ge compounds","Journal of Magnetism and Magnetic Materials","2003","256","","69","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533954","7.342","","14.958","","7.828","","90","","90","","90","","859.684","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Yb5 Ge4","","- Ge4 Yb5 -","- Ge4 Yb5 -","- Ge16 Yb20 -","4","0.5","","Pani, M.; Palenzona, A.","The phase diagram of the Yb - Ge system","Journal of Alloys Compd.","2003","360","","151","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","160245","2020-10-21","18:00:00",""
"1533959","6.949","","4.0563","","8.066","","90","","90","","90","","227.358","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tm Mn Ge","","- Ge Mn Tm -","- Ge Mn Tm -","- Ge4 Mn4 Tm4 -","4","0.5","","Klosek, V.; Verniere, A.; Ouladdiaf, B.; Malaman, B.","Crystal and magnetic structures of the R(=Y, Dy-Tm) Mn Ge compounds","Journal of Magnetism and Magnetic Materials","2003","256","","69","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533961","6.9209","","5.7134","","8.0215","","90","","90","","90","","317.185","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pb (Al B O4)","","- Al B O4 Pb -","- Al B O4 Pb -","- Al4 B4 O16 Pb4 -","4","0.5","","Park Hyun-Soo; Barbier, J.; Hammond, R.P.","Crystal structure and polymorphism of Pb Al B O4","Solid State Sciences","2003","5","","565","571","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533963","7.043","","4.107","","8.17","","90","","90","","90","","236.322","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Y Mn Ge","","- Ge Mn Y -","- Ge Mn Y -","- Ge4 Mn4 Y4 -","4","0.5","","Klosek, V.; Verniere, A.; Ouladdiaf, B.; Malaman, B.","Crystal and magnetic structures of the R(=Y, Dy-Tm) Mn Ge compounds","Journal of Magnetism and Magnetic Materials","2003","256","","69","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533987","8.154","","5.057","","10.185","","90","","90","","90","","419.976","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ce Cu5 (Cu0.16 Zn0.84)","","- Ce Cu5.16 Zn0.84 -","- Ce Cu5.16 Zn0.84 -","- Ce4 Cu20.64 Zn3.36 -","4","0.5","","Pavlyuk, V.V.; Marciniak, B.; Zelinska, O.Ya.; Rozycka-Sokolowska, E.; Solokha, P.G.","Solubility of zinc in Ce Cu6 intermetallic compound","Intermetallics","2004","12","","665","669","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533995","7.2838","","14.363","","7.5943","","90","","90","","90","","794.495","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Er5 Si4 -","- Er5 Si4 -","- Er20 Si16 -","4","0.5","","Pecharskii, V.K.; Gschneidner, K.A.jr.; Mozharivsky, Yu.; Pecharsky, A.O.; Miller, G.J.","Decoupling of the magnetic and structural transformations in Er5 Si4","Physical Review Letters","2003","91","","207205-1","207205-1","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534011","5.44","","7.67","","5.463","","90","","90","","90","","227.943","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.8 Na0.2) (Mn O3)","","- Mn Na0.2 O3 Pr0.8 -","- Mn Na0.2 O3 Pr0.8 -","- Mn4 Na0.8 O12 Pr3.2 -","4","0.5","","Kozlenko, D.P.; Jirak, Z.; Glazkov, V.P.; Savenko, B.N.","Structural study of Pr0.8 Na0.2 Mn O3 at high pressure","Journal of Magnetism and Magnetic Materials","2003","267","","120","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534030","5.3096","","7.5095","","5.3316","","90","","90","","90","","212.584","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ca ((Sb0.1 Mn0.9) O3)","","- Ca Mn0.9 O3 Sb0.1 -","- Ca Mn0.9 O3 Sb0.1 -","- Ca4 Mn3.6 O12 Sb0.4 -","4","0.5","","Poltavets, V.; Jansen, M.; Vidyasagar, K.","Crystal structures and magnetic properties of Ca Sbx Mn1-x O3 perovskites","Journal of Solid State Chemistry","2004","177","","1285","1291","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534053","5.3559","","7.5537","","5.3587","","90","","90","","90","","216.796","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(La0.25 Ca0.75) (Mn O3)","","- Ca0.75 La0.25 Mn O3 -","- Ca0.75 La0.25 Mn O3 -","- Ca3 La Mn4 O12 -","4","0.5","","Liu Yanmei; Zheng Renkui; Zhao Zongyan; Yang Kuntang; Han Jiahua","Study of crystal structure of La0.25 Ca0.75 Mn O3","Diwen Wuli Xuebao","2003","25","","215","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534078","5.5635","","7.6996","","5.453","","90","","90","","90","","233.589","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ca2 (Mn Nb O6)","","- Ca2 Mn Nb O6 -","- Ca2 Mn Nb O6 -","- Ca4 Mn2 Nb2 O12 -","2","0.25","","Lufaso, M.W.; Woodward, P.M.; Goldberger, J.","Crystal structures of disordered A2 Mn(3+) M(5+) O6 (A = Sr, Ca; M = Sb, Nb, Ru) perovskites","Journal of Solid State Chemistry","2004","177","","1651","1659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534080","5.4207","","7.5757","","5.3346","","90","","90","","90","","219.069","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ca2 (Mn Ru O6)","","- Ca2 Mn O6 Ru -","- Ca2 Mn O6 Ru -","- Ca4 Mn2 O12 Ru2 -","2","0.25","","Lufaso, M.W.; Woodward, P.M.; Goldberger, J.","Crystal structures of disordered A2 Mn(3+) M(5+) O6 (A = Sr, Ca; M = Sb, Nb, Ru) perovskites","Journal of Solid State Chemistry","2004","177","","1651","1659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534082","5.5549","","7.6941","","5.4591","","90","","90","","90","","233.322","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ca2 (Mn Sb O6)","","- Ca2 Mn O6 Sb -","- Ca2 Mn O6 Sb -","- Ca4 Mn2 O12 Sb2 -","2","0.25","","Lufaso, M.W.; Woodward, P.M.; Goldberger, J.","Crystal structures of disordered A2 Mn(3+) M(5+) O6 (A = Sr, Ca; M = Sb, Nb, Ru) perovskites","Journal of Solid State Chemistry","2004","177","","1651","1659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534175","14.28","","10.49","","7.32","","90","","90","","90","","1096.52","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(N H4)2 (Mo O Br5)","","- Br5 H8 Mo N2 O -","- Br5 H8 Mo N2 O -","- Br20 H32 Mo4 N8 O4 -","4","0.5","","Atovmyan, L.O.; D'yachenko, O.A.; Lobkovskii, E.B.","The X-Ray Crystal Structure of (N H4)2 Mo O Br5","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1970","11","","469","471","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1534315","13.708","","6.098","","8.921","","90","","90","","90","","745.719","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 Sn2 O3","","- Cs2 O3 Sn2 -","- Cs2 O3 Sn2 -","- Cs8 O12 Sn8 -","4","0.5","","Braun, R.M.; Hoppe, R.","Zur Kenntnis von Cs2 Sn2 O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1981","480","","81","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","160880","2020-10-21","18:00:00",""
"1534448","9.336","","8.898","","4.912","","90","","90","","90","","408.048","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","V2 (Ge O4) F2","","- F2 Ge O4 V2 -","- F2 Ge O4 V2 -","- F8 Ge4 O16 V8 -","4","0.5","","Achary, S.N.; Tyagi, A.K.; Koehler, J.","Preparation, structure and properties of V2 Ge O4 F2 - chains of V O4 F2 octahedra in the first V(III) metallate fluoride","Journal of Solid State Chemistry","2002","165","","74","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534533","16.005","","7.0172","","14.8007","","90","","90","","90","","1662.27","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na11 (Cu O4) (S O4)3","","- Cu Na11 O16 S3 -","- Cu Na11 O16 S3 -","- Cu4 Na44 O64 S12 -","4","0.5","","Amann, P.; Kataev, V.; Moeller, A.","Synthesis and characterization of Na11 (Cu O4) (S O4)3","Journal of Solid State Chemistry","2004","177","","2889","2895","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534538","6.0742","","8.9117","","12.01","","90","","90","","90","","650.119","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na5 (Cu O2) (O H)2","","- Cu H2 Na5 O4 -","- Cu H2 Na5 O4 -","- Cu4 H8 Na20 O16 -","4","0.5","","Amann, P.; Moeller, A.","Synthesis, crystal structure, and reactivity of Na5 (Cu O2) (O H)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2571","2575","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534546","9.8848","","10.139","","11.8633","","90","","90","","90","","1188.96","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na5 (Co O3) (O H)","","- Co H Na5 O4 -","- Co H Na5 O4 -","- Co8 H8 Na40 O32 -","8","1","","Amann, P.; Moeller, A.","Ein Natrium-Oxocobaltat(II)-Hydroxid: Na5 (Co O3) O H = Na10 (Co O3) ((C O3) (O H)2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1756","1760","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534563","5.624","","3.51","","12.496","","90","","90","","90","","246.674","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ni Nb As2","","- As2 Nb Ni -","- As2 Nb Ni -","- As8 Nb4 Ni4 -","4","0.5","","Ghadraoui, H.; Guerin, R.; Padiou, J.; Sergent, M.","Sur un nouvel arseniure ternaire Ni Nb As2: structure et proprietes","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (-1983)","1983","296","","617","620","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534572","6.429","","15.621","","10.569","","90","","90","","90","","1061.42","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K2 Sn S3 (H2 O)2","","- H4 K2 O2 S3 Sn -","- H4 K2 O2 S3 Sn -","- H16 K8 O8 S12 Sn4 -","4","0.5","","Schiwy, W.; Blutau, C.; Gaethje, D.; Krebs, B.","Darstellung und Struktur von K2 Sn S3 (H2 O)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1975","412","","1","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534574","15.4271","","3.8007","","6.7449","","90","","90","","90","","395.479","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Dy2 O S2 -","- Dy2 O S2 -","- Dy8 O4 S8 -","4","0.5","","Schleid, T.","Zwei Formen von Dy2 O S2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","602","","39","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534599","9.2659","","3.9669","","18.1406","","90","","90","","90","","666.792","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3 Ni3 Si2 -","- Ca3 Ni3 Si2 -","- Ca12 Ni12 Si8 -","4","0.5","","Glaser, J.","Neue Verbindungen im System Ca/Ni/Si","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1946","1950","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534644","11.096","","6.5703","","8.3623","","90","","90","","90","","609.646","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Cl Cu H Na3 O5 P -","- Cl Cu H Na3 O5 P -","- Cl4 Cu4 H4 Na12 O20 P4 -","4","0.5","","Liu, W.; Li, M.-R.; Yang, X.-X.; Chen, H.-H.; Zhao, J.-T.","Low-temperature flux synthesis of a novel one-dimensional copper (II) chlorophosphate: crystal structure and magnetic property of Na3[CuO(HPO4)Cl]","Journal of Solid State Chemistry","2005","178","","912","916","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534654","9.1508","","25.5271","","8.3574","","90","","90","","90","","1952.23","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Zn4 (P2 O7)2 (H2 O)10","","- H20 O24 P4 Zn4 -","- H20 O24 P4 Zn4 -","- H80 O96 P16 Zn16 -","4","0.5","","Assaaoudi, H.; Belanger-Gariepy, F.; Butler, I. S.; Kozinski, J.","Crystal structure, vibrational spectra and thermal decomposition of a new tetrazinc(II) dipyrophosphate decahydrate, Zn~4~(P~2~O~7~)~2~.~10~H~2~O","Journal of Chemical Crystallography","2005","35","1","49","59","10.1007/s10870-005-1154-7","","","","","","","","","","","","","","","","","","","","","has coordinates","174916","2020-10-21","18:00:00",""
"1534680","6.602","","3.538","","7.908","","90","","90","","90","","184.714","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Zr V P","","- P V Zr -","- P V Zr -","- P4 V4 Zr4 -","4","0.5","","Lomnitskaya, Ya.F.; Brilyak, M.S.; Kuz'ma, Yu.B.","Interaction of zirconium or hafnium with vanadium and phosphorus","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1992","28","","373","377","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534717","17.48","","7.143","","12.515","","90","","90","","90","","1562.62","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Co (N H3)6) (Np O2 (S O4)2) (H2 O)2","","- Co Np O3 S2 -","- Co Np O3 S2 -","- Co4 Np4 O12 S8 -","4","0.5","","Grigor'ev, M.S.; Fedoseev, A.M.; Budantseva, N.A.; Krot, N.N.; Yanovskii, A.I.; Struchkov, Yu.T.","Synthesis, crystal and molecular structure of complex neptunium(V) sulfates (Co(NH3)6)(NpO2(SO4)2)*2H2O and (Co(NH3)6)H8O3(NpO2(SO4)3)","Radiokhimiya","1991","33","","54","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534746","6.903","","4.1312","","8.482","","90","","90","","90","","241.887","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lu Rh In","","- In Lu Rh -","- In Lu Rh -","- In4 Lu4 Rh4 -","4","0.5","","Lukachuk, M.; Zaremba, V.I.; Poettgen, R.","Synthesis and Crystal Structures of RERhIn (RE = Sm, Tb, Ho, Er, Tm, Yb, Lu)","Intermetallics","2003","11","","581","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534750","6.929","","4.141","","8.49","","90","","90","","90","","243.603","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Yb Rh In","","- In Rh Yb -","- In Rh Yb -","- In4 Rh4 Yb4 -","4","0.5","","Lukachuk, M.; Zaremba, V.I.; Poettgen, R.","Synthesis and Crystal Structures of RERhIn (RE = Sm, Tb, Ho, Er, Tm, Yb, Lu)","Intermetallics","2003","11","","581","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534783","17.395","","6.778","","7.663","","90","","90","","90","","903.493","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Zr5 Ir2 In3.93","","- In3.93 Ir2 Zr5 -","- In3.934 Ir2 Zr5 -","- In15.736 Ir8 Zr20 -","4","0.5","","Lukachuk, M.; Hoffmann, R.D.; Poettgen, R.","Zr5 Ir2 In4 - A Superstructure of the Lu5 Ni2 In4 Type","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2005","136","","127","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","161766","2020-10-21","18:00:00",""
"1534795","8.987","","5.613","","7.262","","90","","90","","90","","366.325","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K (Ga D4)","","- D4 Ga K -","- D4 Ga K -","- D16 Ga4 K4 -","4","0.5","","Bakum, S.I.; Kuznetsova, S.F.; Irodova, A.V.; Somenkov, V.A.; Lyakhovitskaya, O.I.; Nozik, Yu.Z.","Crystal structure of K Ga D4","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1990","16","","1210","1214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534796","9.639","","13.674","","5.432","","90","","90","","90","","715.958","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ba (Ni N)","","- Ba N Ni -","- Ba N Ni -","- Ba12 N12 Ni12 -","12","1.5","","Gudat, A.; Haag, S.; Kniep, R.; Rabenau, A.","On the crystal structure of Ba Ni N, a low valency nitridoniccolate(I)","Journal of the Less-Common Metals","1990","159","","29","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534800","8.9948","","5.6408","","7.263","","90","","90","","90","","368.509","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K Ga H2.56 D1.44","","- D1.44 Ga H2.56 K -","- Ga K -","- Ga4 K4 -","4","0.5","","Bakum, S.I.; Somenkov, V.A.; Irodova, A.V.; Kuznetsova, S.F.; Lyakhovitskaya, O.I.; Nozik, Yu.Z.","Crystal structure of KGaD4","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1990","16","","1210","1214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534807","18.408","","8.672","","8.661","","90","","90","","90","","1382.59","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","(Co (N H3)6) Cl Mo O4 (H2 O)3","","- Cl Co H24 Mo N6 O7 -","- Cl Co H24 Mo N6 O7 -","- Cl4 Co4 H96 Mo4 N24 O28 -","4","0.5","","Sharma, R.P.; Venugopalan, P.; Sharma, R.; Bala, R.","Cationic cobaltammines as anion receptors. Part V. Synthesis, characterization and X-ray structure of [Co (N H3)6] Cl Mo O4 * 3 H2 O","Journal of Coordination Chemistry","2004","57","","1563","1569","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534877","10.844","","3.73","","20.3609","","90","","90","","90","","823.56","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Gd4 C2 Br3","","- C2 Br3 Gd4 -","- C2 Br3 Gd4 -","- C8 Br12 Gd16 -","4","0.5","","Bauhofer, C.; Mattausch, H.J.; Kremer, R.K.; Simon, A.","Die Gadoliniumcarbidhalogenide Gd4 C2 X3 (X= Cl, Br)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1501","1507","","","","","","","","","","","","","","","","","","","","","","has coordinates","161927","2020-10-21","18:00:00",""
"1534887","6.505","","6.1962","","10.2064","","90","","90","","90","","411.382","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K2 Na4 ((Fe O3)2)","","- Fe2 K2 Na4 O6 -","- Fe2 K2 Na4 O6 -","- Fe4 K4 Na8 O12 -","2","0.25","","Mader, K.; Hoppe, R.","Ein neues Inoferrat(III): K2Na4((FeO3)2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","602","","155","167","","","","","","","","","","","","","","","","","","","","","","has coordinates","161943","2020-10-21","18:00:00",""
"1534928","11.013","","7.632","","5.621","","90","","90","","90","","472.452","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr Ta2 O6","","- O6 Sr Ta2 -","- O6 Sr Ta2 -","- O24 Sr4 Ta8 -","4","0.5","","Sirotinkin, V.P.; Sirotinkin, S.P.","Systems ANb2O6-ATa2O6, A=Ca,Sr,Ba","Zhurnal Neorganicheskoi Khimii","1993","38","","1071","1073","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534945","9.372","","4.037","","18.71","","90","","90","","90","","707.888","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Na Hg Cl3 (H2 O)2","","- Cl3 H4 Hg Na O2 -","- Cl3 Hg Na O2 -","- Cl12 Hg4 Na4 O8 -","4","0.5","","Malcic, S.S.","Die Kristallstruktur des Natriumtrichloromerkurat(II) Dihydrats","Bulletin of the Institute of Nuclear Sciences 'Boris Kidrich'","1959","9","","115","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535005","6.817","","7.438","","9.93","","90","","90","","90","","503.499","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cd2 (O H)3 Cl","","- Cd2 Cl H3 O3 -","- Cd2 Cl H3 O3 -","- Cd8 Cl4 H12 O12 -","4","0.5","","Sokolova, E.V.; Egorov-Tismenko, Yu.K.","Realization of the spinel structural type in the structure of beta-Cd2 (O H)3 Cl","Kristallografiya","1990","35","","995","997","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535009","7.4453","","9.8923","","23.064","","90","","90","","90","","1698.69","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Na (N H3)5 Rb Se3 (N H3)3","","- H24 N8 Na Rb Se3 -","- H24 N8 Na Rb Se3 -","- H96 N32 Na4 Rb4 Se12 -","4","0.5","","Hanauer, T.; Kraus, F.; Korber, N.","Synthesis and Crystal Structure of Tetraamminelithium-Rubidiumtriselenide, Li (N H3)4 Rb Se3 and Pentaamminesodium-Rubidiumtriselenide-Ammonia (1/3), Na (N H3)5 Rb Se3 * 3(N H3)","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2005","136","","119","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535019","5.145","","10.681","","17.985","","90","","90","","90","","988.343","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li1.6 Mn2.2 (Mo O4)3","","- Li1.6 Mn2.2 Mo3 O12 -","- Li1.6 Mn2.2 Mo3 O12 -","- Li6.4 Mn8.8 Mo12 O48 -","4","0.5","","Solodovnikov, S.F.; Glinskaya, L.A.; Solodovnikova, Z.A.; Klevtsova, R.F.; Klevtsov, P.V.; Zolotova, E.S.","Synthesis,characterization and X-ray structure study of double molybdate of lithium and manganese(II)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1994","35","","136","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","162135","2020-10-21","18:00:00",""
"1535037","9.2015","","3.6676","","9.9874","","90","","90","","90","","337.049","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ca2 (B N2) H","","- B Ca2 H N2 -","- B Ca2 H N2 -","- B4 Ca8 H4 N8 -","4","0.5","","Somer, M.; Carillo-Cabrera, W.; Yaren, O.; Prots', Yu.M.; Reckeweg, O.","Ca2 (B N2) H: The first nitrido-borate hydride - synthesis, crystal structure and vibrational spectra","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1068","1073","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535076","15.323","","3.973","","11.567","","90","","90","","90","","704.179","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La3 B C2 Br2","","- C2 B Br2 La3 -","- C2 B Br2 La3 -","- C8 B4 Br8 La12 -","4","0.5","","Mattausch, H.J.; Simon, A.","Rare earth metal boride carbide bromides. A system of building blocks","Angewandte Chemie (Edition international)","1995","34","","1633","1635","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535115","12.403","","10.358","","16.164","","90","","90","","90","","2076.59","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Nd3 Cl S2 (Si S4)","","- Cl Nd3 S6 Si -","- Cl Nd3 S6 Si -","- Cl8 Nd24 S48 Si8 -","8","1","","Hatscher, S.; Urland, W.","Synthesis, structure and magnetic behavior of a new chloride thiosilicate with neodymium Nd3 Cl S2 (Si S4)","Materials Research Bulletin","2003","38","","99","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535191","7.185","","6.89","","8.72","","90","","90","","90","","431.681","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Er Se O3 Cl","","- Cl Er O3 Se -","- Cl Er O3 Se -","- Cl4 Er4 O12 Se4 -","4","0.5","","Berdonosov, P.S.; Demianets, L.N.; Shabalin, D.G.; Olenev, A.V.; Popovkin, B.A.; Dolgikh, V.A.","Hydrothermal synthesis and crystal structure of Er Se O3 Cl","Journal of Solid State Chemistry","2003","174","","111","115","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535244","6.734","","4.161","","7.449","","90","","90","","90","","208.722","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Er Ir Si -","- Er Ir Si -","- Er4 Ir4 Si4 -","4","0.5","","Heying, B.; Poettgen, R.; Hoffmann, R.D.; Mishra, R.; Valldor, M.; Rodewald, U.C.","Synthesis, structure and magnetic properties of the silicides RE Ir Si (RE = Ce, Pr, Er, Tm, Lu) and Sm Ir0.266(8) Si1.734(8)","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2004","135","","1335","1347","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535246","6.64","","4.129","","7.426","","90","","90","","90","","203.595","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lu Ir Si","","- Ir Lu Si -","- Ir Lu Si -","- Ir4 Lu4 Si4 -","4","0.5","","Heying, B.; Hoffmann, R.D.; Poettgen, R.; Valldor, M.; Rodewald, U.C.; Mishra, R.","Synthesis, structure and magnetic properties of the silicides RE Ir Si (RE = Ce, Pr, Er, Tm, Lu) and Sm Ir0.266(8) Si1.734(8)","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2004","135","","1335","1347","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535250","6.7109","","4.2155","","7.5716","","90","","90","","90","","214.199","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Yb Ir Ge","","- Ge Ir Yb -","- Ge Ir Yb -","- Ge4 Ir4 Yb4 -","4","0.5","","Heying, B.; Niide, Y.; Rodewald, U.C.; Katoh, K.; Poettgen, R.; Ochiai, A.","Synthesis and Structure of YbCuGe and YbIrGe","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2005","136","","655","661","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535263","12.881","","6.935","","12.672","","90","","90","","90","","1131.99","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb (Dy2 Cl7)","","- Cl7 Dy2 Rb -","- Cl7 Dy2 Rb -","- Cl28 Dy8 Rb4 -","4","0.5","","Meyer, G.","K Dy2 Cl7 und Rb Dy2 Cl7, Phyllochlorodysprosate(III) mit flaechen- und kantenverknuepften einfach bekappten trigonalen Prismen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1982","491","","217","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535311","8.062","","4.8684","","9.2455","","90","","90","","90","","362.877","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi In0.67 Na -","- Bi In0.67 Na -","- Bi4 In2.68 Na4 -","4","0.5","","Bobev, S.; Sevov, S.C.","Five Ternary Zintl Phases in the Systems Alkali-Metal Indium Bismuth","Journal of Solid State Chemistry","2001","163","","436","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535326","8.76","","5.445","","7.093","","90","","90","","90","","338.323","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Ba0.69 Pb0.31) (S O4)","","- Ba0.69 O4 Pb0.31 S -","- Ba0.69 O4 Pb0.31 S -","- Ba2.76 O16 Pb1.24 S4 -","4","0.5","","Takano, Y.","Studies on crystal structure and morphology of hokutolite series.","Kobutsugaku Zasshi (= Journal of the Mineralogical Society of Japan)","1959","4","","255","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535380","7.455","","8.377","","5.142","","90","","90","","90","","321.121","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mg0.92 Ir In2.08","","- In2.08 Ir Mg0.92 -","- In2.084 Ir Mg0.916 -","- In8.336 Ir4 Mg3.664 -","4","0.5","","Hlukhyy, V.; Poettgen, R.; Hoffmann, R.D.","The solid solution Mgx In3-x Ir - formation of the Fe Ga3 type up to x= 0.73 and the cementite structure with x= 0.92","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","68","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535382","8.922","","3.997","","14.828","","90","","90","","90","","528.785","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tl Cd Cl3","","- Cd Cl3 Tl -","- Cd Cl3 Tl -","- Cd4 Cl12 Tl4 -","4","0.5","","Bogdanova, A.V.; Sinichka, E.V.; Zaslavskaya, N.P.; Fedyna, M.F.; Gasinets, S.M.; Mokra, I.R.","Synthesis and crystal structures of TlCdCl3 and TlCdBr3 compounds","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1993","29","","589","590","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535385","9.379","","4.13","","15.419","","90","","90","","90","","597.259","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tl Cd Br3","","- Br3 Cd Tl -","- Br3 Cd Tl -","- Br12 Cd4 Tl4 -","4","0.5","","Bogdanova, A.V.; Fedyna, M.F.; Sinichka, E.V.; Zaslavskaya, N.P.; Gasinets, S.M.; Mokra, I.R.","Synthesis and crystal structures of TlCdCl3 and TlCdBr3 compounds","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1993","29","","589","590","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535386","9.228","","3.503","","14.209","","90","","90","","90","","459.316","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tl (Ta S3)","","- S3 Ta Tl -","- S3 Ta Tl -","- S12 Ta4 Tl4 -","4","0.5","","Teske, C.L.; Perloff, A.; Bensch, W.; Ebert, H.","Preparation, crystal structure, physical properties and electronic band structure of Tl Ta S3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1511","1516","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535398","6.771","","4.1737","","7.451","","90","","90","","90","","210.566","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ho Ir Si -","- Ho Ir Si -","- Ho4 Ir4 Si4 -","4","0.5","","Mishra, R.; Hoffmann, R.D.; Poettgen, R.","Two- and three-dimensional (Ir Si) networks in the silicides Sm3 Ir2 Si2, Ho Ir Si and Yb Ir Si","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1787","1792","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535401","6.672","","4.1416","","7.428","","90","","90","","90","","205.256","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Yb Ir Si","","- Ir Si Yb -","- Ir Si Yb -","- Ir4 Si4 Yb4 -","4","0.5","","Mishra, R.; Hoffmann, R.D.; Poettgen, R.","Two- and three-dimensional (Ir Si) networks in the silicides Sm3 Ir2 Si2, Ho Ir Si and Yb Ir Si","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1787","1792","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535412","14","","10.663","","7.17","","90","","90","","90","","1070.35","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K2 Ir Br5 C O","","- C Br5 Ir K2 O -","- C Br5 Ir K2 O -","- C4 Br20 Ir4 K8 O4 -","4","0.5","","Bonamico, M.; Duranti, D.; Vaciago, A.; Zambonelli, L.","Struttura cristallina del pentabromocarboniliridato(III) di potassio","Ricerca Scientifica, Parte 2: Rendiconti, Sezione A: Abiologica","1964","7","","613","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535431","16.76","","12.321","","17.425","","90","","90","","90","","3598.26","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Ir13 Al45","","- Al45 Ir13 -","- Al45 Ir13 -","- Al180 Ir52 -","4","0.5","","Bostroem, M.; Niewa, R.; Prots', Yu.M.; Grin', Yu.","Synthesis, phase relationship and crystal structure of the new binary compound Ir13 Al45","Journal of Solid State Chemistry","2005","178","","339","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","162815","2020-10-21","18:00:00",""
"1535445","8.6085","","7.5822","","13.69","","90","","90","","90","","893.565","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cu (Mo3 O10) (H2 O)","","- Cu H2 Mo3 O11 -","- Cu Mo3 O11 -","- Cu4 Mo12 O44 -","4","0.5","","Tian Chungui; Wang Enbo; Li Yangguang; Peng Jun; Hu Changwen; Xu Lin","A novel three-dimensional inorganic framework: hydrothermal synthesis and crystal structure of Cu Mo3 O10.H2 O","Journal of Solid State Chemistry","2004","177","","839","843","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535489","10.921","","7.952","","5.667","","90","","90","","90","","492.144","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K3 (N O4)","","- K3 N O4 -","- K3 N O4 -","- K12 N4 O16 -","4","0.5","","Bremm, T.; Jansen, M.","Einkristallzuechtung und Strukturanalyse von Trikaliumorthonitrat","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","608","","56","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535500","13.727","","9.9339","","7.0606","","90","","90","","90","","962.802","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)2 (Fe (N H3) Cl5)","","- Cl5 Fe H11 N3 -","- Cl5 Fe H11 N3 -","- Cl20 Fe4 H44 N12 -","4","0.5","","Bremm, S.; Meyer, G.","Reactivity of ammonium halides: action of ammonium chloride and bromide on iron and iron(III) chloride and bromide","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1875","1880","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1535520","7.6416","","4.7074","","7.9964","","90","","90","","90","","287.647","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr Pt Sn","","- Pt Sn Sr -","- Pt Sn Sr -","- Pt4 Sn4 Sr4 -","4","0.5","","Hoffmann, R.D.; Poettgen, R.; Kussmann, D.; Niepmann, D.; Trill, H.; Mosel, B.D.","Transition metal tin ordering in Sr Pt Sn, Sr Au Sn and Ba Au Sn and 119Sn Moessbauer spectroscopy of Ca Pd Sn, Ca Pt Sn and Sr Au Sn","Solid State Sciences","2002","4","","481","487","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535556","10.349","","10.017","","10.884","","90","","90","","90","","1128.3","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca (As F3) (As F6)2","","- As3 Ca F15 -","- As3 Ca F15 -","- As12 Ca4 F60 -","4","0.5","","Tramsek, M.; Zemva, B.","Ca (As F3)(As F6)2: the first alkaline earth metal cation coordinated by As F3","Journal of Fluorine Chemistry","2004","125","","1919","1924","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535558","7.923","","7.247","","9.861","","90","","90","","90","","566.199","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ca Sr Cr F7","","- Ca Cr F7 Sr -","- Ca Cr F7 Sr -","- Ca4 Cr4 F28 Sr4 -","4","0.5","","Holler, H.; Babel, D.","Die Kristallstruktur von Sr Ca Cr F7","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1455","1456","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535751","9.494","","5.848","","8.391","","90","","90","","90","","465.876","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(F5 S) (C N)","","- C F5 N S -","- C F5 N S -","- C4 F20 N4 S4 -","4","0.5","","Buschmann, J.; Lentz, D.; Preugschat, D.; Luger, P.; Thrasher, J.S.; Perpetuo, G.; Willner, H.; Woelk, H.J.","Crystal and molecular structures of the pentafluorosulfanyl compounds, S F5 X (X = -N C, -C N, -N C S and -N C Cl2) by x-ray diffraction at low temperature","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1136","1142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535775","12.491","","12.302","","6.991","","90","","90","","90","","1074.27","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Mg (H F)2) (Sb F6)2","","- F14 H2 Mg Sb2 -","- F14 H2 Mg Sb2 -","- F56 H8 Mg4 Sb8 -","4","0.5","","Turicnik, A.; Zemva, B.; Benkic, P.","Syntheses and crystal structures of (Mg (H F)2) (Sb F6)2 and (Ca (H F)2) (Sb F6)2: new examples of H F acting as a ligand to metal centres","Journal of Fluorine Chemistry","2003","121","","245","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535812","16.932","","9.13","","7.124","","90","","90","","90","","1101.29","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Ta Cl5) (S O Cl2)","","- Cl7 O S Ta -","- Cl7 O S Ta -","- Cl28 O4 S4 Ta4 -","4","0.5","","Calderazzo, F.; Pampaloni, G.; d'Attoma, M.; Troyanov, S.I.","Reactions of chalcogen oxide chlorides E O Cl2 (E = S, Se) with group 5 metal chlorides","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","180","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535841","8.55404","","3.87802","","12.5273","","90","","90","","90","","415.565","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K (N (C N)2)","","- C2 K N3 -","- C2 K N3 -","- C8 K4 N12 -","4","0.5","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535853","6.948","","12.19","","8.723","","90","","90","","90","","738.804","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(P N F2)3","","- F6 N3 P3 -","- F6 N3 P3 -","- F24 N12 P12 -","4","0.5","","Dougill, M.W.","Phosphonitrilic Derivates. Part X. The Crystal Structure of Trimeric Phosphonitrilic Fluoride","Journal of the Chemical Society","1963","1963","","3211","3217","","","","","","","","","","","","","","","","","","","","","","has coordinates","163342","2020-10-21","18:00:00",""
"1535947","14.354","","10.567","","7.372","","90","","90","","90","","1118.18","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Cs2 (Tl Cl5) (H2 O)","","- Cl5 Cs2 H2 O Tl -","- Cl5 Cs2 H2 O Tl -","- Cl20 Cs8 H8 O4 Tl4 -","4","0.5","","Vasil'ev, A.D.; Afanas'ev, M.L.; Aleksandrov, K.S.","Crystal structure of Cs2TlCl5*H2O","Kristallografiya","1994","39","","920","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1535995","15.938","","10.097","","4.686","","90","","90","","90","","754.099","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","K2 (Te3)","","- K2 Te3 -","- K2 Te3 -","- K8 Te12 -","4","0.5","","Eisenmann, B.; Schaefer, H.","K2 Te3, das erste Alkalimetallpolytellurid mit Te3(2-) -Ionen","Angewandte Chemie (German Edition)","1978","90","","731","731","","","","","","","","","","","","","","","","","","","","","","has coordinates","163546","2020-10-21","18:00:00",""
"1536060","12.1803","","15.723","","6.1588","","90","","90","","90","","1179.48","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Rb4 (H (C O3))2 (C O3) (H2 O)","","- C3 H4 O10 Rb4 -","- C3 H4 O10 Rb4 -","- C12 H16 O40 Rb16 -","4","0.5","","Cirpus, V.; Adam, A.","Die ersten Hydrogencarbonate mit der trimeren (H2 (C O3)3)4- Gruppe: Darstellung und Kristallstruktur von Rb4 H2 (C O3)3 (H2 O) und K4 H2 (C O3)3 .1,5 (H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1197","1204","","","","","","","","","","","","","","","","","","","","","","has coordinates","163642","2020-10-21","18:00:00",""
"1536100","10.14","","12.82","","4.35","","90","","90","","90","","565.477","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","S3 (C N)2","","- C2 N2 S3 -","- C2 N2 S3 -","- C8 N8 S12 -","4","0.5","","Feher, F.; Linke, K.H.","Die Kristallstruktur von Dicyantrisulfan S3 (C N)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1964","327","","151","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","163700","2020-10-21","18:00:00",""
"1536112","17.475","","4.412","","25.39","","90","","90","","90","","1957.56","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sn2 S I2","","- I2 S Sn2 -","- I2 S Sn2 -","- I24 S12 Sn24 -","12","1.5","","Fenner, J.","Kristallstruktur des Zinnsulfidjodids","Naturwissenschaften","1976","63","","244","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536141","8.717","","9.564","","17.659","","90","","90","","90","","1472.22","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ho3 Ru4 Ga15","","- Ga15 Ho3 Ru4 -","- Ga15 Ho3 Ru4 -","- Ga60 Ho12 Ru16 -","4","0.5","","Jeitschko, W.; Schlueter, M.","The Ternary Rare Earth Ruthenium Gallides R3Ru4Ga15 (R = Y, Tb Er) with a New Struture Type, a Further Example of a Large Family of Topologically Layered Structures","Journal of Solid State Chemistry","2003","172","","27","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","163746","2020-10-21","18:00:00",""
"1536176","16.486","","6.484","","7.076","","90","","90","","90","","756.391","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba P4 Te2 -","- Ba P4 Te2 -","- Ba4 P16 Te8 -","4","0.5","","Joergens, S.; Johrendt, D.; Mewis, A.","Ba P4 Te2 - A ternary telluride with P-Te bonds and a structural fragment of black phosphorus","Chemistry - A European Journal","2003","9","","2405","2410","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536179","13.46","","3.954","","7.3958","","90","","90","","90","","393.611","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cu Mg As","","- As Cu Mg -","- As Cu Mg -","- As8 Cu8 Mg8 -","8","1","","Nuss, J.; Jansen, M.","Zur Abgrenzung der (Pb F Cl)- und (Cu2 Sb)-Strukturfamilien: Neubestimmung und Verfeinerung der Kristallstrukturen Cu Mg Sb, Cu2 Sb und Cu Mg As","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1152","1157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536181","17.195","","4.6244","","14.272","","90","","90","","90","","1134.86","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ba3 (P3) I2","","- Ba3 I2 P3 -","- Ba3 I2 P3 -","- Ba12 I8 P12 -","4","0.5","","Nuss, J.; Jansen, M.","Ba3 P3 I2 und Ba5 P5 I3: Stufenweise Oxidation von Bariumphosphid mit Iod","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","387","393","","","","","","","","","","","","","","","","","","","","","","has coordinates","163805","2020-10-21","18:00:00",""
"1536244","16.67","","13.167","","9.5749","","90","","90","","90","","2101.63","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Cs Sc3 (Se O3)4 (H Se O3)2 (H2 O)2","","- Cs H6 O20 Sc3 Se6 -","- Cs1.007 H6 O20 Sc3 Se6 -","- Cs4.028 H24 O80 Sc12 Se24 -","4","0.5","","Johnston, M.G.; Harrison, W.T.A.","Syntheses and structures of three new scandium selenites: Sc2 (Se O3)3.H2 O, Sc2 (Se O3)3.3H2 O and Cs Se3 (Sc3 O3)4 (H Se O3)2.2H2 O","Journal of Solid State Chemistry","2004","177","","4316","4324","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536275","5.954","","8.27","","3.914","","90","","90","","90","","192.724","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Cm Si -","- Cm Si -","- Cm4 Si4 -","4","0.5","","Weigel, F.; Marquart, R.","Preparation and properties of some curium silicides","Journal of the Less-Common Metals","1983","90","","283","290","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536321","13.35","","7.765","","6.307","","90","","90","","90","","653.801","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge Mn2 Se4 -","- Ge Mn2 Se4 -","- Ge4 Mn8 Se16 -","4","0.5","","Deiseroth, H.J.; Kremer, R.K.; Aleksandrov, K.","Structural and magnetic properties of Mn2 Ge Se4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","448","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536331","10.22","","8.329","","7.14","","90","","90","","90","","607.774","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Ti5 Sb2.85","","- Sb2.85 Ti5 -","- Sb2.83 Ti5 -","- Sb11.32 Ti20 -","4","0.5","","Kaiser, J.W.; Haase, M.G.; Jeitschko, W.","A variety of different occupancies in isotypic compounds: Ternary antimonides and bismuthides with the ideal formulas T5 T' Sb3 and T5 T' Bi3 (T= Ti, Zr, Hf: T'= late transition metals) and the binary antimonide Ti4.8 Sb3.29, all cryst..","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2369","2376","","","","","","","","","","","","","","","","","","","","","","has coordinates","164004","2020-10-21","18:00:00",""
"1536399","9.9803","","12.2039","","7.2374","","90","","90","","90","","881.505","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Hg2)2 (As2 O7)","","- As2 Hg4 O7 -","- As2 Hg4 O7 -","- As8 Hg16 O28 -","4","0.5","","Weil, M.","Single crystal growth and crystal structure of mercurous diarsenate(V), (Hg2)2 (As2 O7)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","213","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","164086","2020-10-21","18:00:00",""
"1536401","8.33","","16.503","","8.405","","90","","90","","90","","1155.44","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ba5 P4 -","- Ba5 P4 -","- Ba20 P16 -","4","0.5","","Derrien, G.; Tillard, M.; Manteghetti, A.P.; Belin, C.","Phosphorus oligomerization in Zintl phases: synthesis, crystal structure and bonding analysis of mixed alkali and alkaline-earth metal phosphides","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1601","1609","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536438","7.387","","8.104","","10.184","","90","","90","","90","","609.658","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4) (S O3 N (O) N O)","","- H4 N3 O5 S -","- H4 N3 O5 S -","- H16 N12 O20 S4 -","4","0.5","","Keefer, L. K.; Flippen-Anderson, J. L.; George, C.; Shanklin A. P.; Dunams, T. M.; Christodoulou, D.; Saavedra, J. E.; Sagan, E. S.; Bohle, D. S.","Chemistry of the Diazeniumdiolates I. Structural and Spectral Characteristics of the [N(O)NO]^-^ Functional Group","Nitric Oxide","2001","5","4","377","394","10.1006/niox.2001.0359","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536445","7.684","","5.8912","","10.1437","","90","","90","","90","","459.185","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb2 (C O3)","","- C O3 Rb2 -","- C O3 Rb2 -","- C4 O12 Rb8 -","4","0.5","","Dinnebier, R.E.; Hanson, J.C.; Jansen, M.; Vensky, S.","Crystal structures and topochemical aspects of the high-temperature phases and decomposition products of the alkali-metal oxalates M2 [C2 O4] (M = K, Rb, Cs)","Chemistry - A European Journal","2005","11","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536451","13.248","","4.5085","","24.374","","90","","90","","90","","1455.82","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba3 Ga4 Sb5 -","- Ba3 Ga4 Sb5 -","- Ba12 Ga16 Sb20 -","4","0.5","","Park, S.-M.; Kim, S.-J.; Kanatzidis, M.G.","Ga-Ga bonding and tunnel framework in the new Zintl phase Ba3 Ga4 Sb5","Journal of Solid State Chemistry","2003","175","","310","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536505","8.8594","","5.3265","","7.0493","","90","","90","","90","","332.654","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Be F4 -","- Ba Be F4 -","- Ba4 Be4 F16 -","4","0.5","","Werner, F.; Kubel, F.","Barite-type Ba(BeF~4~)~x~(SO~4~)~1-x~ (x=1 and approx.0.5)","Journal of Chemical Crystallography","2005","35","6","457","462","10.1007/s10870-005-2220-x","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536509","8.8657","","5.3902","","7.1007","","90","","90","","90","","339.328","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Ba (Be F4)0.535 (S O4)0.465","","- Ba Be0.535 F2.14 O1.86 S0.465 -","- Ba Be0.535 F2.14 O1.86 S0.465 -","- Ba4 Be2.14 F8.56 O7.44 S1.86 -","4","0.5","","Werner, F.; Kubel, F.","Barite-type Ba(BeF~4~)~x~(SO~4~)~1-x~ (x=1 and approx.0.5)","Journal of Chemical Crystallography","2005","35","6","457","462","10.1007/s10870-005-2220-x","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536519","14.06","","14.26","","24.7","","90","","90","","90","","4952.24","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Dy13 Zn57 -","- Dy13 Zn57 -","- Dy52 Zn228 -","4","0.5","","Pay Gomez, C.; Lidin, S.","Structure of Dy13 Zn57 a binary quasicrystal approximant","Solid State Sciences","2002","4","","901","906","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536540","12.6049","","8.7105","","7.8718","","90","","90","","90","","864.284","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(K1.63 Eu0.37) Eu Cl5","","- Cl5 Eu1.37 K1.63 -","- Cl5 Eu1.368 K1.632 -","- Cl20 Eu5.472 K6.528 -","4","0.5","","Wickleder, C.","K Eu2 Cl6 und K1.6 Eu1.4 Cl5: zwei neue gemischtvalente Europiumchloride","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1815","1820","","","","","","","","","","","","","","","","","","","","","","has coordinates","164285","2020-10-21","18:00:00",""
"1536552","8.6567","","6.9129","","4.8323","","90","","90","","90","","289.179","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Li (Cl O4)","","- Cl Li O4 -","- Cl Li O4 -","- Cl4 Li4 O16 -","4","0.5","","Wickleder, M.S.","Crystal structure of Li Cl O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1466","1468","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536567","7.9865","","10.6138","","6.8372","","90","","90","","90","","579.57","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cu3 Sb Se3 -","- Cu3 Sb Se3 -","- Cu12 Sb4 Se12 -","4","0.5","","Pfitzner, A.","Cu3 Sb Se3: Synthese und Kristallstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","685","688","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536609","40.1747","","18.2584","","18.0817","","90","","90","","90","","13263.4","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)17 ((U O2)3 (H2 O)4 (As3 W26 O94)) (H2 O)43","","- As3 O147 U3 W26 -","- As3 O147 U3 W26 -","- As12 O588 U12 W104 -","4","0.5","","Kim Kee-Chan; Gaunt, A.; Pope, M.T.","New heteropolytungstates incorporating dioxouranium(VI). Derivatives of alpha-(Si W9 O34)(10-), alpha-(As W9 O33)(9-), gamma-(Si W10 O36)(8-) and (As4 W40 O140)(28-)","Journal of Cluster Science","2002","13","","423","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","164386","2020-10-21","18:00:00",""
"1536618","9.177","","6.363","","25.842","","90","","90","","90","","1509","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs3 Nd (Mo O4)3","","- Cs3 Mo3 Nd O12 -","- Cs3 Mo3 Nd O12 -","- Cs12 Mo12 Nd4 O48 -","4","0.5","","Efremov, V.A.; Gasanov, Yu.M.; Trunov, V.K.","Crystal structure of Cs3Nd(MoO4)3","Kristallografiya","1991","36","","342","346","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536636","11.187","","8.768","","7.538","","90","","90","","90","","739.384","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Eu2 (Sn S4)","","- Eu2 S4 Sn -","- Eu2 S4 Sn -","- Eu8 S16 Sn4 -","4","0.5","","Pocha, R.; Tampier, M.; Hoffmann, R.D.; Johrendt, D.; Mosel, B.D.; Poettgen, R.","Crystal structures and properties of the thiostannates Eu2 Sn S4 and Sr2 Sn S4 and the selenogermanate gamma-(Sr2 Ge Se4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1379","1384","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536643","12.511","","7.22","","5.921","","90","","90","","90","","534.84","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mg Al2 S4","","- Al2 Mg S4 -","- Al2 Mg S4 -","- Al8 Mg4 S16 -","4","0.5","","Eisenmann, B.; Jakowski, M.; Schaefer, H.","Die Strukturen des Mg Al2 S4 und Mg0.830 In2.113 S4","Materials Research Bulletin","1984","19","","77","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536676","12.694","","16.032","","8.764","","90","","90","","90","","1783.56","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","N3 P2 Cl4 S Sb Cl6","","- Cl10 N3 P2 S Sb -","- Cl10 N3 P2 S Sb -","- Cl40 N12 P8 S4 Sb4 -","4","0.5","","Pohl, S.; Petersen, O.; Roesky, H.W.","Thiadiazadiphosphorin","Chemische Berichte","1979","112","","1545","1549","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536679","7.359","","5.569","","9.63","","90","","90","","90","","394.659","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K Eu (P O4)","","- Eu K O4 P -","- Eu K O4 P -","- Eu4 K4 O16 P4 -","4","0.5","","Wu, G.; Tang, Z.; Lin, P.; Yu, Y.; Jansen, M.; Koenigstein, K.","A new type of divalent europium compound M Eu P O4 (M= K, Rb, Cs), its synthesis, crystal structure, and properties","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","610","","135","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536682","7.462","","5.649","","9.797","","90","","90","","90","","412.971","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Rb Eu (P O4)","","- Eu O4 P Rb -","- Eu O4 P Rb -","- Eu4 O16 P4 Rb4 -","4","0.5","","Wu, G.; Jansen, M.; Tang, Z.; Koenigstein, K.; Lin, P.; Yu, Y.","A new type of divalent europium compound M Eu P O4 (M= K, Rb, Cs), its synthesis, crystal structure, and properties","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","610","","135","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536696","5.77","0.0012","5.79","0.0012","13.71","0.003","90","","90","","90","","458.028","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N O) (Br F4 O)","","- Br F4 N O2 -","- Br F4 N O2 -","- Br4 F16 N4 O8 -","4","0.5","","Ellern, Arkady; Boatz, Jerry A.; Christe, Karl O.; Drews, Thomas; Seppelt, Konrad","The crystal structures of ClF~3~O, BrF~3~O and [NO]^+^[BrF~4~O]^-^","Zeitschrift für anorganische und allgemeine Chemie","2002","628","","1991","1999","","","","","","","","","","","","","","","","","","","","","","has coordinates","210886","2020-10-21","18:00:00",""
"1536736","7.805","","6.188","","14.405","","90","","90","","90","","695.723","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Rb2 (Se Mo O6)","","- Mo O6 Rb2 Se -","- Mo O6 Rb2 Se -","- Mo4 O24 Rb8 Se4 -","4","0.5","","Porter, Y.; Halasyamani, P.S.","New alkali-metal - molybdenum(VI) - selenium(IV) oxides: syntheses,structures and characterization of A2 Se Mo O6 (A = Na(+), K(+) or Rb(+))","Journal of Solid State Chemistry","2003","174","","441","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536778","7.607","","6.074","","9.446","","90","","90","","90","","436.452","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Pb Zn (O H) (V O4)","","- H O5 Pb V Zn -","- O5 Pb V Zn -","- O20 Pb4 V4 Zn4 -","4","0.5","","Qurashi, M.M.; Barnes, W.H.","The structures of the minerals of the descloizite and adelite group. V: Descloizite and conichalcite (part 3)","Canadian Mineralogist","1964","8","","23","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536785","12.76","","9.824","","10.699","","90","","90","","90","","1341.17","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Hg Sn P14","","- Hg P14 Sn -","- Hg P14 Sn -","- Hg4 P56 Sn4 -","4","0.5","","Eschen, M.; Wallinda, J.; Jeitschko, W.","Preparation and crystal structure of Au1-x Sn1+y P14 and other polyphosphides with (Hg Pb P14)-type structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","2764","2771","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536834","12.229","","7.011","","14.088","","90","","90","","90","","1207.87","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(N H4)3 (Ir Cl6) (H2 O)","","- Cl6 H14 Ir N3 O -","- Cl6 H14 Ir N3 O -","- Cl24 H56 Ir4 N12 O4 -","4","0.5","","Rankin, D.A.","The chloro and bromo complexes of iridium(III) and iridium(IV). II Structural chemistry of Ir(III) complexes","Australian Journal of Chemistry","1983","36","","871","883","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1536837","12.768","","7.391","","14.982","","90","","90","","90","","1413.83","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rb3 Ir Br6 H2 O","","- Br6 H2 Ir O Rb3 -","- Br6 Ir O Rb3 -","- Br24 Ir4 O4 Rb12 -","4","0.5","","Rankin, D.A.","The chloro and bromo complexes of iridium(III) and iridium(IV). II. Structural chemistry of Ir(III) complexes","Australian Journal of Chemistry","1983","36","","871","883","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536861","8.432","","6.29","","11.083","","90","","90","","90","","587.812","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cs2 Mn O4 -","- Cs2 Mn O4 -","- Cs8 Mn4 O16 -","4","0.5","","Kopelev, N.S.; Val'kovskii, M.D.; Popov, A.I.; Chumaevskii, N.A.","Synthesis and properties of sodium manganates.","Zhurnal Neorganicheskoi Khimii","1991","36","","2210","2215","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536901","7.601","","4.1992","","17.026","","90","","90","","90","","543.438","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","La Rh Mg","","- La Mg Rh -","- La Mg Rh -","- La8 Mg8 Rh8 -","8","1","","Fickenscher, T.; Hoffmann, R.D.; Kraft, R.; Poettgen, R.","Syntheses and Crystal Structures of LaRhMg, CeRhMg, PrRhMg, and NdRhMg","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","667","672","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536907","7.2162","","4.1598","","8.6947","","90","","90","","90","","260.997","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pr Rh Mg","","- Mg Pr Rh -","- Mg Pr Rh -","- Mg4 Pr4 Rh4 -","4","0.5","","Fickenscher, T.; Hoffmann, R.D.; Kraft, R.; Poettgen, R.","Syntheses and Crystal Structures of LaRhMg, CeRhMg, PrRhMg, and NdRhMg","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","667","672","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536910","7.206","","4.176","","8.688","","90","","90","","90","","261.442","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Nd Rh1.114 Mg.886","","- Mg0.886 Nd Rh1.114 -","- Mg0.886 Nd Rh1.114 -","- Mg3.544 Nd4 Rh4.456 -","4","0.5","","Fickenscher, T.; Hoffmann, R.D.; Kraft, R.; Poettgen, R.","Syntheses and Crystal Structures of LaRhMg, CeRhMg, PrRhMg, and NdRhMg","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","667","672","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536936","12.3241","","3.9526","","5.3943","","90","","90","","90","","262.768","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Eu (C N2)","","- C Eu N2 -","- C Eu N2 -","- C4 Eu4 N8 -","4","0.5","","Reckeweg, O.; DiSalvo, F.J.","Eu (C N2) - The first. but not quite unexpected ternary rare earth metal cyanamide","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","177","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536950","7.5385","","4.4027","","8.6627","","90","","90","","90","","287.513","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Eu Pd Mg","","- Eu Mg Pd -","- Eu Mg Pd -","- Eu4 Mg4 Pd4 -","4","0.5","","Kraft, R.; Fickenscher, T.; Kotzyba, G.; Hoffmann, R.D.; Poettgen, R.","Intermetallic Rare Earth (RE) Magnesium Compounds REPdMg and RE2Pd2Mg","Intermetallics","2003","11","","111","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536953","7.294","","4.243","","8.505","","90","","90","","90","","263.216","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Yb Pd Mg","","- Mg Pd Yb -","- Mg Pd Yb -","- Mg4 Pd4 Yb4 -","4","0.5","","Kraft, R.; Fickenscher, T.; Kotzyba, G.; Hoffmann, R.D.; Poettgen, R.","Intermetallic Rare Earth (RE) Magnesium Compounds REPdMg and RE2Pd2Mg","Intermetallics","2003","11","","111","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537013","21.242","","8.658","","8.523","","90","","90","","90","","1567.49","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Cs3 (La Cl6) (H2 O)3","","- Cl6 Cs3 H6 La O3 -","- Cl6 Cs3 La O3 -","- Cl24 Cs12 La4 O12 -","4","0.5","","Reuter, G.; Frenzen, G.","The thermal dehydration of Cs3 Ln Cl6.3 (H2 O) to Cs3 Ln Cl6 (Ln= La-Nd) and their crystal structures","Journal of Solid State Chemistry","1995","116","","329","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537052","6.681","","4.2015","","7.544","","90","","90","","90","","211.762","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lu Ir Ge","","- Ge Ir Lu -","- Ge Ir Lu -","- Ge4 Ir4 Lu4 -","4","0.5","","Rodewald, U.C.; Poettgen, R.","Three-dimensional iridium-germanium polyanions in the structures of Yb2 Ir Ge2, Lu Ir Ge2 and Lu3 Ir2 Ge3","Solid State Sciences","2003","5","","487","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537074","16.6369","","12.9577","","9.7972","","90","","90","","90","","2112.04","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","C (Cl6 (Cl5 W3)2)","","- C Cl16 W6 -","- C Cl16 W6 -","- C4 Cl64 W24 -","4","0.5","","Zheng, Y.-Q.; von Schnering, H.G.; Grin', Yu.; Chang, J.-H.; Heckmann, G.; Engelhardt, G.","The carbon-centered triprismo-hexatungsten chlorides C W6 Cl16 and C W6 Cl18","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1256","1264","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537075","30.949","","4.3042","","19.675","","90","","90","","90","","2620.92","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","La7 Sb11 Br4","","- Br4 La7 Sb11 -","- Br4 La7 Sb11 -","- Br16 La28 Sb44 -","4","0.5","","Zheng, C.; Li, S.; Mattausch, H.J.","Fused stars and nano-stripes in rare earth halide compound La7 Sb11 Br4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","421","426","","","","","","","","","","","","","","","","","","","","","","has coordinates","165062","2020-10-21","18:00:00",""
"1537238","12.513","","9.8","","10.445","","90","","90","","90","","1280.84","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cu0.73 Sn1.27 P14","","- Cu0.73 P14 Sn1.27 -","- Cu0.728 P14 Sn1.272 -","- Cu2.912 P56 Sn5.088 -","4","0.5","","Lange, S.; Sebastian, C.P.; Nilges, T.","A new preparative approach to Hg Pb P14 structure type materials: crystal structure of Cu0.73 Sn1.27 P14 and characterization of M(1-x) Sn(1+x) P14 (M = Cu, Ag) and Ag Sb P14","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","195","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","165278","2020-10-21","18:00:00",""
"1537322","9.702","","3.607","","10.664","","90","","90","","90","","373.188","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Li V2 O5","","- Li O5 V2 -","- Li O5 V2 -","- Li4 O20 V8 -","4","0.5","","Galy, J.; Darriet, J.; Hagenmuller, P.","Les bronzes Lix V2 O5. Structure de la phase beta' et affinement de la structure de la phase gamma","Revue de Chimie Minerale","1971","8","","509","522","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537334","5.495","","3.414","","6.103","","90","","90","","90","","114.492","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Mn As","","- As Mn -","- As Mn -","- As4 Mn4 -","4","0.5","","Glazkov, V.P.; Kozlenko, D.P.; Somenkov, V.A.; Podurets, K.M.; Savenko, B.N.","Neutron diffraction investigation of the atomic and magnetic structures of Mn As at high pressures","Kristallografiya","2003","48","","59","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537388","8.039","","6.205","","7.635","","90","","90","","90","","380.849","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K P O2 F2","","- F2 K O2 P -","- F2 K O2 P -","- F8 K4 O8 P4 -","4","0.5","","Harrison, R.W.; Thompson, R.C.; Trotter, J.","The Structure of Potassium Difluorophosphate","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1966","1966","","1775","1780","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537465","7.445","","8.154","","10.261","","90","","90","","90","","622.91","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)2 (S O3 (N O)2)","","- H8 N4 O5 S -","- H8 N4 O5 S -","- H32 N16 O20 S4 -","4","0.5","","Jeffrey, G. A.; Stadler, H. P.","The structure of the dinitrososulphite and sulphamate ions","Journal of the Chemical Society","1951","1951","","1467","1474","10.1039/jr9510001467","","","","","","","","","","","","","","","","","","","","","has coordinates","209001","2020-10-21","18:00:00",""
"1537514","12.58","","6.338","","10.38","","90","","90","","90","","827.619","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Mo O2)2 P2 O7","","- Mo2 O11 P2 -","- Mo2 O11 P2 -","- Mo8 O44 P8 -","4","0.5","","Kierkegaard, P.","On the crystal structure of (Mo O2)2 P2 O7","Arkiv foer Kemi","1962","19","","1","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","165720","2020-10-21","18:00:00",""
"1537548","8.31","","5.35","","6.37","","90","","90","","90","","283.201","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pb (Be F4)","","- Be F4 Pb -","- Be F4 Pb -","- Be4 F16 Pb4 -","4","0.5","","Krausse, J.; Rentsch, J.","Untersuchungen ueber die mikroheterogene Struktur von Pb F2 - Be F2 - Modellglaesern","Silikattechnik","1968","19","","44","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537596","11.733","","6.04","","7.059","","90","","90","","90","","500.252","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Th (O H)2 S O4","","- H2 O6 S Th -","- O6 S Th -","- O24 S4 Th4 -","4","0.5","","Lundgren, G.","The crystal structure of Th (O H)2 S O4","Arkiv foer Kemi","1950","2","","535","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537597","11.572","","5.926","","6.969","","90","","90","","90","","477.904","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","U (O H)2 S O4","","- H2 O6 S U -","- O6 S U -","- O24 S4 U4 -","4","0.5","","Lundgren, G.","The crystal structure of U (O H)2 S O4","Arkiv foer Kemi","1952","4","","421","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537654","13.825","","3.694","","3.954","","90","","90","","90","","201.929","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Mo O3 -","- Mo O3 -","- Mo4 O12 -","4","0.5","","Andersson, G.; Magneli, A.","On the crystal structure of molybdenum trioxide","Acta Chemica Scandinavica (43,1989-)","1950","4","","793","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537673","11.32","","4.05","","4.242","","90","","90","","90","","194.479","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Sn S","","- S Sn -","- S Sn -","- S4 Sn4 -","4","0.5","","Chattopadhyay, T.K.; Pannetier, J.; von Schnering, H.G.","Neutron diffraction study of the structural phase transition in Sn S and Sn Se","Journal of Physics and Chemistry of Solids","1986","47","","879","885","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537675","11.37","","4.186","","4.439","","90","","90","","90","","211.273","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Sn Se","","- Se Sn -","- Se Sn -","- Se4 Sn4 -","4","0.5","","Chattopadhyay, T.K.; Pannetier, J.; von Schnering, H.G.","Neutron diffraction study of the structural phase transition in Sn S and Sn Se","Journal of Physics and Chemistry of Solids","1986","47","","879","885","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537699","11.42","","4.19","","4.46","","90","","90","","90","","213.41","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Sn Se","","- Se Sn -","- Se Sn -","- Se4 Sn4 -","4","0.5","","Avilov, A.S.; Imamov, R.M.; Navasardyan, S.N.","Structure of thin films of Sn S and Sn Se","Kristallografiya","1979","24","","874","875","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537742","7.933","","3.847","","5.727","","90","","90","","90","","174.778","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Pu Si -","- Pu Si -","- Pu4 Si4 -","4","0.5","","Coffinberry, A.S.; Ellinger, F.H.","The intermetallic compounds of plutonium","International Conference on Peaceful Uses of Atomic Energy, Geneva 1958: Proceedings","1955","8","","826","826","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537753","7.119","","8.618","","5.978","","90","","90","","90","","366.76","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rh U S3","","- Rh S3 U -","- Rh S3 U -","- Rh4 S12 U4 -","4","0.5","","Daoudi, A.; Noel, H.","Synthesis, crystal structure and magnetic properties of new ternary uranium chalcogenides: Ru U S3 and Rh U S3","Inorganica Chimica Acta","1987","140","","93","95","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537756","8.13","","8.717","","6.271","","90","","90","","90","","444.421","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pd U Se3","","- Pd Se3 U -","- Pd Se3 U -","- Pd4 Se12 U4 -","4","0.5","","Daoudi, A.; Noel, H.","Synthese, structure cristalline et proprietes magnetiques du seleniure ternaire d'uranium et de palladium: Pd U Se3","Journal of the Less-Common Metals","1989","153","","293","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537807","11.68","","3.98","","11.58","","90","","90","","90","","538.313","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Sb2 Se3 -","- Sb2 Se3 -","- Sb8 Se12 -","4","0.5","","Donges, E.","Ueber Chalkogenohalogenide des dreiwertigen Antimons und Wismuts. II. Ueber Selenohalogenide des dreiwertigen Antimons und Wismuts und ueber Antimon(III)-selenid Mit 2 Abbildungen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","263","","280","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538011","7.1589","","5.2118","","8.2664","","90","","90","","90","","308.426","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ni3.3 Sn2 -","- Ni3.3 Sn2 -","- Ni13.2 Sn8 -","4","0.5","","Fjellvag, H.; Kjekshus, A.","Structural properties Co3 Sn2, Ni3 Sn2 and some ternary derivatives","Acta Chemica Scandinavica, Series A: (28,1974-)","1986","40","","23","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538229","6.462","","3.494","","6.222","","90","","90","","90","","140.482","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Ti Se","","- Se Ti -","- Se Ti -","- Se4 Ti4 -","4","0.5","","Gronvold, F.; Langmyhr, F.J.","X-ray study of titanium selenides","Acta Chemica Scandinavica (1-27,1973-42,1988)","1961","15","","1949","1962","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538238","5.854","","3.31","","5.825","","90","","90","","90","","112.87","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","V S","","- S V -","- S V -","- S4 V4 -","4","0.5","","Gronvold, F.; Tufte, T.; Pedersen, B.; Haraldsen, H.","X-ray and magnetic study of vavadium sulfides in the range V5 S4 to V5 S8","Revue de Chimie Minerale","1969","6","","215","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538309","9.788","","5.12","","8.598","","90","","90","","90","","430.885","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Ti O) (S O4) (H2 O)","","- H2 O6 S Ti -","- O6 S Ti -","- O24 S4 Ti4 -","4","0.5","","Lundgren, G.","On the crystal structure of Ti O S O4 H2 O","Arkiv foer Kemi","1956","10","","397","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538316","13.313","","10.284","","9.219","","90","","90","","90","","1262.18","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pb8 Bi2 (P O4)6 O2","","- Bi2 O26 P6 Pb8 -","- Bi2 O26 P6 Pb8 -","- Bi4 O52 P12 Pb16 -","2","0.25","","Moore, E.P.; Chen, H.-Y.; Brixner, L.H.; Foris, C.M.","The Crystal Structure of Pb8 Bi2 (P O4)6 O2","Materials Research Bulletin","1982","17","","653","660","","","","","","","","","","","","","","","","","","","","","","has coordinates","166773","2020-10-21","18:00:00",""
"1538320","5.7","","11.78","","10.42","","90","","90","","90","","699.661","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","U V2 O8","","- O8 U V2 -","- O8 U V2 -","- O32 U4 V8 -","4","0.5","","Mahe-Pailleret, P.","Contribution a l'etude chimique et structurale des composes A B2 O8 rencontres dans les systemes Mo-V-O, U-V-O et Q-Mo-O","Revue de Chimie Minerale","1970","7","","807","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538333","4.9752","","10.1543","","17.1255","","90","","90","","90","","865.175","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Co5 Cr2.667 (V O4)6","","- Co5 Cr2.667 O24 V6 -","- Co5 Cr2.666 O24 V6 -","- Co10 Cr5.332 O48 V12 -","2","0.25","","Malakho, A.P.; Lazoryak, B.I.; Belik, A.A.","Synthesis and crystal structure of Co5 Cr2.667 (V O4)6","Zhurnal Neorganicheskoi Khimii","2003","48","","709","714","","","","","","","","","","","","","","","","","","","","","","has coordinates","166800","2020-10-21","18:00:00",""
"1538476","16.5178","","8.1086","","9.4401","","90","","90","","90","","1264.37","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Cr (N H3)5 Cl) (Pt Cl4)","","- Cl5 Cr H15 N5 Pt -","- Cl5 Cr H15 N5 Pt -","- Cl20 Cr4 H60 N20 Pt4 -","4","0.5","","Plusnin, P.E.; Shubin, Yu.V.; Yusenko, K.V.; Baidina, I.A.; Korda, T.M.; Korenev, S.V.","A study of chloropentaamminechromium(III) tetrachloroplatinate(II)","Zhurnal Neorganicheskoi Khimii","2004","49","","1253","1258","","","","","","","","","","","","","","","","","","","","","","has coordinates","186189","2020-10-21","18:00:00",""
"1538512","10.69","","6.1946","","5.0266","","90","","90","","90","","332.863","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li3.05 (Ge0.31 P0.69 O4)","","- Ge0.31 Li3.05 O4 P0.69 -","- Ge0.31 Li3.055 O4 P0.69 -","- Ge1.24 Li12.22 O16 P2.76 -","4","0.5","","Rabadanov, M.Kh.; Ivanov-Shits, A.K.; Kireev, V.V.; Pietraszko, A.; Simonov, V.I.","Atomic structure and mechanism of superionic conductivity of Li3.31 Ge0.31 P0.69 O4 single crystals","Kristallografiya","2003","48","","802","807","","","","","","","","","","","","","","","","","","","","","","has coordinates","167103","2020-10-21","18:00:00",""
"1538522","9.742","","3.316","","11.594","","90","","90","","90","","374.538","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca Yb2 O4","","- Ca O4 Yb2 -","- Ca O4 Yb2 -","- Ca4 O16 Yb8 -","4","0.5","","Reid, A.F.","Calcium Ytterbate, Ca Yb2 O4, an Orthorhombic Calcium Ferrite Isomorph","Journal of the American Ceramic Society","1967","50","","491","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538526","8.959","","6.885","","12.218","","90","","90","","90","","753.639","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 Ge S4 -","- Ba2 Ge S4 -","- Ba8 Ge4 S16 -","4","0.5","","Ribes, M.; Maurin, M.","Etude radiochristallographique des thiogermanates de baryum","Revue de Chimie Minerale","1970","7","","75","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538595","19.791","","3.5673","","5.6242","","90","","90","","90","","397.071","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ir S2 -","- Ir S2 -","- Ir8 S16 -","8","1","","Jobic, S.; Drew, M.G.B.; Deniard, P.; Rouxel, J.; Brec, R.; David, W.I.F.","Properties of the transition metal dichalcogenides: The case of Ir S2 and Ir Se2","Journal of Solid State Chemistry","1990","89","","315","327","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538648","6.889","","3.772","","5.223","","90","","90","","90","","135.721","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Hf Si -","- Hf Si -","- Hf4 Si4 -","4","0.5","","Karpinskii, O.G.; Evseev, B.A.","X-ray investigation of the Hf-Si system from 37 to 65 at.% Si","Russian Metallurgy","1969","1969","","128","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538874","5.773","","3.763","","6.119","","90","","90","","90","","132.928","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Mn Te -","- Mn Te -","- Mn4 Te4 -","4","0.5","","Mimasaka, M.; Sakamoto, I.; Fujii, Y.; Murata, K.; Onodera, A.","Pressure induced phase transitions of Mn Te","Journal of Physics C","1987","20","","4689","4694","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538896","11.57","","4.19","","4.46","","90","","90","","90","","216.213","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Sn Se","","- Se Sn -","- Se Sn -","- Se4 Sn4 -","4","0.5","","Okazaki, A.","The crystal structure of stannous selenide Sn Se","Journal of the Physical Society of Japan","1956","11","","470","470","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538922","6.269","","7.919","","10.763","","90","","90","","90","","534.321","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Rb Cu Pd F5","","- Cu F5 Pd Rb -","- Cu F5 Pd Rb -","- Cu4 F20 Pd4 Rb4 -","4","0.5","","Mueller, B.G.","Zur Kenntnis komplexer Fluoride mit Cu2+ und Pd2+: M Pt F6 (M=Pd, Cu) und Rb Cu Pd F5.","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","556","","79","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539070","5.971","","7.445","","5.166","","90","","90","","90","","229.65","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Pd3 P","","- P Pd3 -","- P Pd3 -","- P4 Pd12 -","4","0.5","","Rundqvist, S.; Gullman, L.O.","The crystal structure of Pd3 P","Acta Chemica Scandinavica (1-27,1973-42,1988)","1960","14","","2246","2247","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539072","9.994","","3.317","","11.662","","90","","90","","90","","386.596","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Rh4 P3","","- P3 Rh4 -","- P3 Rh4 -","- P12 Rh16 -","4","0.5","","Rundqvist, S.; Hede, A.","X-ray investigation on rhodium phosphides. The crystal structure of Rh4 P3","Acta Chemica Scandinavica (1-27,1973-42,1988)","1960","14","","893","902","","","","","","","","","","","","","","","","","","","","","","has coordinates","167808","2020-10-21","18:00:00",""
"1539138","6.568","","3.518","","8.888","","90","","90","","90","","205.368","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb Li O","","- Li O Rb -","- Li O Rb -","- Li4 O4 Rb4 -","4","0.5","","Sabrowsky, H.; Vogt, P.","Rb Li O: Eine Variante der K Na S - Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","553","","226","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539375","11.032","","10.295","","12.876","","90","","90","","90","","1462.38","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Co6 (Te O3)4 (Te O4)","","- Co6 O16 Te5 -","- Co6 O16 Te5 -","- Co24 O64 Te20 -","4","0.5","","Troemel, M.; Scheller, T.","Die Kristallstruktur von Co6 Te5 O16","Zeitschrift fuer Anorganische und Allgemeine Chemie","1976","427","","229","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","168266","2020-10-21","18:00:00",""
"1539421","8.1223","","16.349","","4.1279","","90","","90","","90","","548.15","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- La S1.96 -","- La S1.961 -","- La8 S15.688 -","8","1","","Valilyeva, I.G.; Podberezskaya, N.V.; Naumov, D.Yu.; Pervukhina, N.V.; Ikorskii, V.N.; Borisov, S.V.","Crystal grows and structure of lanthanum polysulfides","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2003","44","","179","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539450","8.253","","6.4122","","13.789","","90","","90","","90","","729.712","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cu4 (As O4)2 O","","- As2 Cu4 O9 -","- As2 Cu4 O9 -","- As8 Cu16 O36 -","4","0.5","","Adams, R.D.; Layland, R.C.; Payen, C.","The synthesis, crystal structure and magnetic properties of Cu4 (As O4)2 (O) and Ba2 Cu7 (As O4)6","Chem. Ber./Recueil","1997","130","","63","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","168370","2020-10-21","18:00:00",""
"1539484","13.28","","3.99","","13.55","","90","","90","","90","","717.977","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Yb3 Se4","","- Se4 Yb3 -","- Se4 Yb3 -","- Se16 Yb12 -","4","0.5","","Souleau, C.; Laruelle, P.; Guittard, M.","No3. Systemes Yb Se - L2 Se3","Bulletin de la Societe Chimique de France (Vol=Year)","1969","1","","9","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","168408","2020-10-21","18:00:00",""
"1539491","5.451","","3.185","","10.667","","90","","90","","90","","185.194","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","U V N2","","- N2 U V -","- N2 U V -","- N8 U4 V4 -","4","0.5","","Spear, K.E.; Leitnaker, J.M.","Phase behavior of the U-V-N system and properties of U V N2","High Temperature Science","1971","3","","29","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539551","6.968","","4.3262","","7.54","","90","","90","","90","","227.293","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge Rh Tb -","- Ge Rh Tb -","- Ge4 Rh4 Tb4 -","4","0.5","","Szytula, A.; Bazela, W.; Leciejewicz, J.","Magnetic structures of orthorhombic rare earth compunds","Journal de Physique (Paris), Colloque.","1988","49","","383","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539552","5.742","","7.926","","5.482","","90","","90","","90","","249.492","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Gd (Sc O3)","","- Gd O3 Sc -","- Gd O3 Sc -","- Gd4 O12 Sc4 -","4","0.5","","Amanyan, P.A.; Kevorkov, A.M.; Antipov, E.V.; Antonov, V.A.; Arsen'ev, P.A.; Kovba, L.M.; Bagdasarov, Kh.S.; Rakhmatulin, A.V.","The synthesis and structure of Gd Sc O3","Zhurnal Neorganicheskoi Khimii","1987","32","","2087","2091","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539572","9.143","","10.59","","9.107","","90","","90","","90","","881.78","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K3 V S4","","- K3 S4 V -","- K3 S4 V -","- K12 S16 V4 -","4","0.5","","van den Berg, J.M.; de Vries, R.","The crystal structure of K3 V S4","Koninklijke Nederlandse Akademie van Wetenschappen, Series B: Physical Sciences: Proceedings","1964","67","","178","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539624","9.769","","7.607","","12.381","","90","","90","","90","","920.067","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 Cu Cl4","","- Cl4 Cs2 Cu -","- Cl4 Cs2 Cu -","- Cl16 Cs8 Cu4 -","4","0.5","","Bailleul, S.; Svoronos, D.; Tomas, A.; Porcher, P.","Precisions sur la structure de Cs2 Cu Cl4","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993)","1991","313","","1149","1153","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539684","7.86","","4.66","","8.74","","90","","90","","90","","320.125","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca Mg Sn -","- Ca Mg Sn -","- Ca4 Mg4 Sn4 -","4","0.5","","Eisenmann, B.; Schaefer, H.; Weiss, A.","Der Uebergamg von ""geordneten"" Anti-Pb Cl2-Gitter zum Anti-Pb F Cl-Gitter: Ternaere Phasen A B X der Erdalkalimetalle mit Elementen der 4. Hauptgruppe (A= Ca, Sr, Ba; B= Mg; X= Si, Ge, Sn, Pb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1972","391","","241","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539777","7.177","","4.931","","5.49","","90","","90","","90","","194.29","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Cu3 Gd5 Ni2)0.8","","- Cu2.4 Gd4 Ni1.6 -","- Cu2.4 Gd4 Ni1.6 -","- Cu2.4 Gd4 Ni1.6 -","1","0.125","","Blanco, J.A.; Gomez Sal, J.C.; Rodriguez Fernandez, J.; Gignoux, D.; Schmitt, D.; Rodriguez-Carvajal, J.","Magnetic and electrical properties of Gd Ni1-x Cux compounds","Journal of Physics: Condensed Matter","1992","4","","8233","8244","","","","","","","","","","","","","","","","","","","","","","has coordinates","168802","2020-10-21","18:00:00",""
"1539782","12.676","","7.43","","5.927","","90","","90","","90","","558.221","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Mn1.4 Mg0.6 (Si S4)","","- Mg0.6 Mn1.4 S4 Si -","- Mg0.6 Mn1.4 S4 Si -","- Mg2.4 Mn5.6 S16 Si4 -","4","0.5","","Fuhrmann, J.; Pickardt, J.","Zuechtung und r:ntgenographische Untersuchung von Einkristallen der Thiosilicate (Mn, Mg)2 Si S4, (Mn, Fe)2 Si S4 und (Mg, Fe)2 Si S4 mit Olivinstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","586","","73","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539784","9.72","","7.57","","6.81","","90","","90","","90","","501.083","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Na2 La (Si O4) (O H)","","- H La Na2 O5 Si -","- La Na2 O5 Si -","- La4 Na8 O20 Si4 -","4","0.5","","Chiragov, M.I.; Mamedov, Kh.S.","Crystal structure of the synthetic Na,La-silicate Na2LaSiO4(OH)","Uchenye Zapiski Azerbaidzhanskogo Gosudarstvennogo Universiteta","1974","4","","3","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539786","12.651","","7.361","","5.899","","90","","90","","90","","549.339","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Mn1.4 Fe0.6 (Si S4)","","- Fe0.6 Mn1.4 S4 Si -","- Fe0.6 Mn1.4 S4 Si -","- Fe2.4 Mn5.6 S16 Si4 -","4","0.5","","Fuhrmann, J.; Pickardt, J.","Zuechtung und r:ntgenographische Untersuchung von Einkristallen der Thiosilicate (Mn, Mg)2 Si S4, (Mn, Fe)2 Si S4 und (Mg, Fe)2 Si S4 mit Olivinstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","586","","73","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539789","12.586","","7.329","","5.87","","90","","90","","90","","541.465","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Mg1.14 Fe0.86 (Si S4)","","- Fe0.86 Mg1.14 S4 Si -","- Fe0.86 Mg1.14 S4 Si -","- Fe3.44 Mg4.56 S16 Si4 -","4","0.5","","Fuhrmann, J.; Pickardt, J.","Zuechtung und r:ntgenographische Untersuchung von Einkristallen der Thiosilicate (Mn, Mg)2 Si S4, (Mn, Fe)2 Si S4 und (Mg, Fe)2 Si S4 mit Olivinstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","586","","73","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539790","7.144","","4.391","","5.49","","90","","90","","90","","172.217","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cu0.6 Gd Ni0.4 -","- Cu0.6 Gd Ni0.4 -","- Cu2.4 Gd4 Ni1.6 -","4","0.5","","Blanco, J.A.; Rodriguez Fernandez, J.; Gomez Sal, J.C.; Gignoux, D.; Rodriguez-Carvajal, J.; Schmitt, D.","Magnetic structures of the orthorhombic Gd Ni1-x Cux compounds","Physik (Berlin)","1992","180","","100","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539802","8.824","","6.633","","13.977","","90","","90","","90","","818.068","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge S2 Tl -","- Ge S2 Tl -","- Ge8 S16 Tl8 -","8","1","","Eulenberger, G.","The crystal structure of Tl2 [Ge2 S4], a ternary thallium(I) sulphide with divalent and tetravalent germanium","Journal of the Less-Common Metals","1985","108","","65","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539909","13.852","","3.657","","10.213","","90","","90","","90","","517.358","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ni0.95 Zr4 P2","","- Ni0.95 P2 Zr4 -","- Ni0.95 P2 Zr4 -","- Ni3.8 P8 Zr16 -","4","0.5","","Bruskov, V.A.; Lomnitskaya, Ya.F.; Kuz'ma, Yu.B.","Crystal structure of the compound Zr2 Ni1-x P","Soviet Physics, Crystallography (= Kristallografiya)","1988","33","","199","201","","","","","","","","","","","","","","","","","","","","","","has coordinates","168993","2020-10-21","18:00:00",""
"1539911","8.401","","5.378","","10.078","","90","","90","","90","","455.33","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Sn Sr2 -","- Sn Sr2 -","- Sn4 Sr8 -","4","0.5","","Bruzzone, G.; Franceschi, E.","On the occurrence of M2X intermetallic compounds (M = Ca, Sr, Ba; X = Si, Ge, Sn, Pb)","Journal of the Less-Common Metals","1978","57","","201","208","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539948","12.1143","","7.3076","","15.0829","","90","","90","","90","","1335.24","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ca Cl2 (N H3)8","","- Ca Cl2 H24 N8 -","- Ca Cl2 H24 N8 -","- Ca4 Cl8 H96 N32 -","4","0.5","","Westman, S.; Werner, P.E.; Schuler, T.; Raldow, W.","X-Ray Investigations of Ammines of Alkaline Earth Metal Halides. I. The Structures of Ca Cl2 (N H3)8, Ca Cl2 (N H3)2 and the Decomposition Product Ca Cl O H","Acta Chemica Scandinavica, Series A: (28,1974-)","1981","35","","467","472","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1539984","10.074","","4.2967","","16.172","","90","","90","","90","","700.004","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tl Mn I3","","- I3 Mn Tl -","- I3 Mn Tl -","- I12 Mn4 Tl4 -","4","0.5","","Zandbergen, H.W.","Neutron Powder Diffraction and Magnetic Measurements on Tl Mn I3 and Tl Fe I3","Journal of Solid State Chemistry","1981","36","","189","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539985","9.991","","4.2701","","16.02","","90","","90","","90","","683.454","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tl Mn I3","","- I3 Mn Tl -","- I3 Mn Tl -","- I12 Mn4 Tl4 -","4","0.5","","Zandbergen, H.W.","Neutron Powder Diffraction and Magnetic Measurements on Tl Mn I3 and Tl Fe I3","Journal of Solid State Chemistry","1981","37","","189","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539986","9.967","","4.2407","","15.981","","90","","90","","90","","675.47","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tl Fe I3","","- Fe I3 Tl -","- Fe I3 Tl -","- Fe4 I12 Tl4 -","4","0.5","","Zandbergen, H.W.","Neutron Powder Diffraction and Magnetic Measurements on Tl Mn I3 and Tl Fe I3","Journal of Solid State Chemistry","1981","37","","189","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540020","8.6326","0.0003","28.1206","0.001","15.3462","0.0005","90","","90","","90","","3725.3","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H20 Dy2 N2 O17 -","- C24 H20 Dy2 N2 O17 -","- C96 H80 Dy8 N8 O68 -","4","0.5","","Liu, Ke; Li, Huanhuan; Zhang, Xuejing; Shi, Wei; Cheng, Peng","Constraining and Tuning the Coordination Geometry of a Lanthanide Ion in Metal-Organic Frameworks: Approach toward a Single-Molecule Magnet.","Inorganic chemistry","2015","54","21","10224","10231","10.1021/acs.inorgchem.5b01356","","","0.71073","MoKα","","0.0568","0.0442","","","0.1404","0.1507","","","","","","1.019","","","","has coordinates","288244","2023-12-12","10:07:31",""
"1540065","7.823","","13.091","","7.607","","90","","90","","90","","779.04","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","S7 (N H)","","- H N S7 -","- H N S7 -","- H4 N4 S28 -","4","0.5","","Hecht, H.J.; Reinhardt, R.; Steudel, R.; Bradaczek, H.","Neubestimmung der Kristall- und Molekuelstruktur von Heptaschwefelimid, S7 N H","Zeitschrift fuer Anorganische und Allgemeine Chemie","1976","426","","43","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540066","12.24","","7.549","","6.854","","90","","90","","90","","633.308","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ge2 Pt3 -","- Ge2 Pt3 -","- Ge16 Pt24 -","8","1","","Heinrich, S.; Schubert, K.","Kristallstruktur von Pt3 Ge2","Journal of the Less-Common Metals","1976","45","","125","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540070","5.52","","2.281","","11.46","","90","","90","","90","","144.294","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Cr3 C2","","- C2 Cr3 -","- C2 Cr3 -","- C8 Cr12 -","4","0.5","","Hellbom, K.; Westgren, A.","Den rombiska kromkarbidens kristallbyggnad","Svensk Kemisk Tidskrift","1933","45","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","169237","2020-10-21","18:00:00",""
"1540116","7.7016","","9.092","","7.837","","90","","90","","90","","548.77","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K3 (Fe O4)","","- Fe K3 O4 -","- Fe K3 O4 -","- Fe4 K12 O16 -","4","0.5","","Hoppe, R.; Mader, K.","Zur Konstitution von K3 (Fe O4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","586","","115","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540125","20.1122","","19.93309","","13.4263","","90","","90","","90","","5382.58","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tl3.35 (Al3.43 Si92.57 O192) (H2 O)27.14","","- Al3.43 H54.28 O219.14 Si92.57 Tl3.35 -","- Al3.4272 O219.14 Si92.5728 Tl3.3504 -","- Al3.4272 O219.14 Si92.5728 Tl3.3504 -","1","0.125","","Huddersman, K.D.; Rees, L.V.C.","X-ray powder diffraction determination of the location of thallium cations in hydrated ZSM-5","Zeolites","1991","11","","270","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540136","7.4738","","14.724","","7.7362","","90","","90","","90","","851.324","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd5 Si4 -","- Gd5 Si4 -","- Gd20 Si16 -","4","0.5","","Iglesias, J.E.; Steinfink, H.","The crystal structure of Gd5 Si4","Journal of the Less-Common Metals","1972","26","","45","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540137","9.2247","","4.4823","","17.8706","","90","","90","","90","","738.911","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 Cd Se3 -","- Ba2 Cd Se3 -","- Ba8 Cd4 Se12 -","4","0.5","","Iglesias, J.E.; Pachali, K.E.; Steinfink, H.","Structural chemistry of Ba2CdS3, Ba2CdS3, BaCdS2, BaCu2S2 and BaCu2Se2","Journal of Solid State Chemistry","1974","9","","6","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540138","8.9145","","4.3356","","17.2439","","90","","90","","90","","666.472","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 Cd S3 -","- Ba2 Cd S3 -","- Ba8 Cd4 S12 -","4","0.5","","Iglesias, J.E.; Pachali, K.E.; Steinfink, H.","Structural chemistry of Ba2CdS3, Ba2CdS3, BaCdS2, BaCu2S2 and BaCu2Se2","Journal of Solid State Chemistry","1974","9","","6","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540139","7.2781","","4.167","","13.9189","","90","","90","","90","","422.13","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Cd S2 -","- Ba Cd S2 -","- Ba4 Cd4 S8 -","4","0.5","","Iglesias, J.E.; Pachali, K.E.; Steinfink, H.","Structural chemistry of Ba2CdS3, Ba2CdS3, BaCdS2, BaCu2S2 and BaCu2Se2","Journal of Solid State Chemistry","1974","9","","6","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540140","9.3081","","4.0612","","10.4084","","90","","90","","90","","393.459","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Cu2 S2 -","- Ba Cu2 S2 -","- Ba4 Cu8 S8 -","4","0.5","","Iglesias, J.E.; Pachali, K.E.; Steinfink, H.","Structural chemistry of Ba2 Cd S3, Ba2 Cd S3, Ba Cd S2, Ba Cu2 S2 and Ba Cu2 Se2","Journal of Solid State Chemistry","1974","9","","6","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540141","9.5944","","4.2142","","10.7748","","90","","90","","90","","435.654","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Cu2 Se2 -","- Ba Cu2 Se2 -","- Ba4 Cu8 Se8 -","4","0.5","","Iglesias, J.E.; Pachali, K.E.; Steinfink, H.","Structural chemistry of Ba2CdS3, Ba2CdS3, BaCdS2, BaCu2S2 and BaCu2Se2","Journal of Solid State Chemistry","1974","9","","6","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540209","9.694","","3.6878","","12.575","","90","","90","","90","","449.55","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr (V2 O6)","","- O6 Sr V2 -","- O6 Sr V2 -","- O24 Sr4 V8 -","4","0.5","","Karpov, O.G.; Simonov, M.A.; Krasnenko, T.I.; Zabara, O.A.","Crystal structure of alpha - Sr V2 O6","Kristallografiya","1989","34","","1392","1395","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540267","20.048","","19.884","","13.352","","90","","90","","90","","5322.57","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","H1.22 (Si94.43 Al1.57 O192) (H2 O)16","","- Al1.57 H33.22 O208 Si94.43 -","- Al1.5744 O208 Si94.4256 -","- Al1.5744 O208 Si94.4256 -","1","0.125","","Li, X.; Gu, C.; Zhong, B.","Structure of two ZSM-5 zeolites and correlations with their properties","Fenzi Cuihua","1992","6","","104","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540299","20.1","","19.932","","13.431","","90","","90","","90","","5380.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Cs.4 (Al.9 Si23.1 O48) (H2 O)2.4","","- Al0.9 Cs0.4 H4.8 O50.4 Si23.1 -","- Al0.96 Cs0.4 O50.4 Si23.04 -","- Al3.84 Cs1.6 O201.6 Si92.16 -","4","0.5","","Lin, J.; Chao, K.; Wang, Y.","The location of cations in Cs-exchanged ZSM-5 zeolite","Zeolites","1991","11","","376","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540301","20.08","","19.925","","13.404","","90","","90","","90","","5362.86","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs.4 (Al.9 Si23.1 O48)","","- Al0.9 Cs0.4 O48 Si23.1 -","- Al0.96 Cs0.4 O48 Si23.04 -","- Al3.84 Cs1.6 O192 Si92.16 -","4","0.5","","Lin, J.; Wang, Y.; Chao, K.","The location of cations in Cs-exchanged ZSM-5 zeolite","Zeolites","1991","11","","376","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","169554","2020-10-21","18:00:00",""
"1540340","54.76","","4.03","","22.75","","90","","90","","90","","5020.53","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Bi23 Cu Fe Pb18 Sb S56","","- Bi23 Cu Fe Pb18 S56 Sb -","- Bi23.0016 Cu Fe Pb18 S56 Sb -","- Bi23.0016 Cu Fe Pb18 S56 Sb -","1","0.125","","Kupcik, V.","Die Kristallstruktur des Minerals Eclarit, (Cu, Fe) Pb9 Bi12 S28","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1984","32","","259","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540345","10.1182","","3.7345","","12.392","","90","","90","","90","","468.249","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ga Cr Se3","","- Cr Ga Se3 -","- Cr Ga Se3 -","- Cr4 Ga4 Se12 -","4","0.5","","Lutz, H.D.; Engelen, B.; Fischer, M.; Jung, M.","Kristallstrukturen sowie FIR- und Ramanspektren von GaCrSe3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","566","","55","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540400","9.144","0.0004","10.3091","0.0008","17.5949","0.0008","90","","90","","90","","1658.61","0.17","150","1","150","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H11 B N6 P3 Tl -","- C12 H11 B N6 P3 Tl -","- C48 H44 B4 N24 P12 Tl4 -","4","0.5","","Mlateček, Martin; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan; Holubová, Jana; Erben, Milan","The first scorpionate ligand based on diazaphosphole.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20242","20253","10.1039/c5dt03589a","","","0.71073","MoKα","","0.0279","0.0208","","","0.0437","0.0464","","","","","","1.118","","","","has coordinates","171107","2020-10-21","18:00:00",""
"1540501","12.757","0.006","19.268","0.009","6.503","0.003","90","","90","","90","","1598.4","1.3","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Strontium gallium arsenide (3/1/3)","Strontium gallium arsenide (3/1/3)","","- As3 Ga Sr3 -","- As3 Ga Sr3 -","- As24 Ga8 Sr24 -","8","1","","Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen","Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)","Crystals","2015","5","4","433","","10.3390/cryst5040433","","","0.71073","MoKα","","0.0506","0.0274","","","0.0371","0.0431","","","","","","1.047","","","","has coordinates","170120","2020-10-21","18:00:00",""
"1540503","13.3589","0.001","19.9788","0.0015","6.8008","0.0005","90","","90","","90","","1815.1","0.2","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Barium gallium arsenide (3/1/3)","Barium gallium arsenide (3/1/3)","","- As3 Ba3 Ga -","- As3 Ba3 Ga -","- As24 Ba24 Ga8 -","8","1","","Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen","Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)","Crystals","2015","5","4","433","","10.3390/cryst5040433","","","0.71073","MoKα","","0.0205","0.0159","","","0.0296","0.0314","","","","","","1.114","","","","has coordinates","170122","2020-10-21","18:00:00",""
"1540571","8.917","0.0004","7.6126","0.0003","15.0884","0.0006","90","","90","","90","","1024.22","0.07","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C11 H14 N2 -","- C11 H14 N2 -","- C44 H56 N8 -","4","0.5","","Druzhinin, Sergey I.; Galievsky, Victor A.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Dubbaka, Srinivas R.; Knochel, Paul; Mayer, Peter; Grosse, Christian; Stalke, Dietmar; Zachariasse, Klaas A.","Two-State Intramolecular Charge Transfer (ICT) with 3,5-Dimethyl-4-(dimethylamino)benzonitrile (MMD) and Its Meta-Isomer mMMD. Ground State Amino Twist Not Essential for ICT.","The journal of physical chemistry. A","2015","119","49","11820","11836","10.1021/acs.jpca.5b09368","","","0.71073","MoKα","","0.077","0.0641","","","0.1708","0.1785","","","","","","1.071","","","","has coordinates","173599","2020-10-21","18:00:00",""
"1540623","17.598","0.006","6.875","0.002","10.631","0.004","90","","90","","90","","1286.2","0.8","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","t-butyl pyridine indenone","1-(t-butyl)-3-methyl-9H-indeno[2,1-c]pyridin-9-one","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","0.5","","Das, Sajal; Hong, Dongsub; Chen, Zhiwei; She, Zhigang; Hersh, William H.; Subramaniam, Gopal; Chen, Yu","Auto-Tandem Palladium Catalysis: From Isoxazole to 2-Azafluorenone.","Organic letters","2015","17","22","5578","5581","10.1021/acs.orglett.5b02731","","","0.71073","MoKα","","0.0401","0.039","","","0.1077","0.1094","","","","","","1.041","","","","has coordinates","170771","2020-10-21","18:00:00",""
"1540677","20.1","0.004","19.912","0.004","13.386","0.003","90","","90","","90","","5357.5","1.9","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","I2@SL-1","Iodine silicalite-1","","- I24 O192 Si96 -","- I23.9872 O192 Si96 -","- I23.9872 O192 Si96 -","1","0.125","","Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung","Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite","Energy Environ. Sci.","2016","9","3","1050","","10.1039/C5EE02843D","","","0.67","synchrotron","","0.0926","0.0616","","","0.1559","0.1716","","","","","","1.027","","","","has coordinates,has disorder","181746","2020-10-21","18:00:00",""
"1540751","10.42","","3.64","","4.29","","90","","90","","90","","162.715","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ge S -","- Ge S -","- Ge4 S4 -","4","0.5","","Zachariasen, W.H.","The crystal lattice of germano sulphide, Ge S","Physical Review (1,1893-132,1963/141,1966-188,1969)","1932","40","","917","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540773","13.3018","","7.7698","","23.4925","","90","","90","","90","","2428","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 (Tl Br5)","","- Br5 Cs2 Tl -","- Br5 Cs2 Tl -","- Br40 Cs16 Tl8 -","8","1","","Zimmermann, K.; Thiele, G.","Ueber Cs2 Tl Br5 - ein Pentabromothallat(III) mit tetraedrischen (Tl Br4)(-) - und oktaedrischen (Tl Br6)(3-) - Anionen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","553","","280","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540871","5.861","","9.872","","6.088","","90","","90","","90","","352.25","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Al Si P3","","- Al P3 Si -","- Al P3 Si -","- Al4 P12 Si4 -","4","0.5","","von Schnering, H.G.; Menge, G.","Al Si P3, a compound with a novel wurtzite-pyrite intergrowth structure","Journal of Solid State Chemistry","1979","28","","13","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540895","6.5429","","7.6491","","12.583","","90","","90","","90","","629.745","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","La (Ta3 O9)","","- La O9 Ta3 -","- La O9 Ta3 -","- La4 O36 Ta12 -","4","0.5","","Schaffrath, U.; Gruehn, R.","Zur Darstellung und Struktur neuer Modifikationen von CeTa3O9","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","565","","67","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541013","10.82","","3.788","","10.758","","90","","90","","90","","440.929","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Bi2 (Ge O5)","","- Bi2 Ge O5 -","- Bi2 Ge O5 -","- Bi8 Ge4 O20 -","4","0.5","","Sussieck-Fornefeld, C.","Kristallchemie der Hexaoxogermanate","Heidelberger geowissenschaftliche Abhandlungen","1988","17","","139","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541056","6.488","","3.566","","17.014","","90","","90","","90","","393.639","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ta Ni2 Te2","","- Ni2 Ta Te2 -","- Ni2 Ta Te2 -","- Ni8 Ta4 Te8 -","4","0.5","","Tremel, E.","TaNi2Te2, ein neuartiges Schichttelluride, und TaCo2Te2, eine Strukturvariante mit Peierls-Verzerrung","Angewandte Chemie (German Edition)","1992","104","","230","233","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541125","23.51","","4.036","","21.24","","90","","90","","90","","2015.39","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pb5 Sb4 S11","","- Pb5 S11 Sb4 -","- Pb5 S11 Sb4 -","- Pb20 S44 Sb16 -","4","0.5","","Petrova, I.V.; Kuznetsov, A.I.; Pobedimskaya, E.A.; Belokoneva, E.L.; Simonov, M.A.; Belov, N.V.","Crystal structure of boulangerite","Doklady Akademii Nauk SSSR","1978","242","","337","340","","","","","","","","","","","","","","","","","","","","","","has coordinates","172358","2020-10-21","18:00:00",""
"1541126","5.782","","3.481","","6.259","","90","","90","","90","","125.976","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Pd Ge","","- Ge Pd -","- Ge Pd -","- Ge4 Pd4 -","4","0.5","","Pfisterer, H.; Schubert, K.","Neue Phasen vom MnP (B-31)-Typ","Zeitschrift fuer Metallkunde","1950","41","","358","367","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541146","9.487","","7.419","","6.798","","90","","90","","90","","478.471","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Na2 In (Si O4) (O H)","","- H In Na2 O5 Si -","- In Na2 O5 Si -","- In4 Na8 O20 Si4 -","4","0.5","","Pushcharovskii, D.Yu.; Kudryavtseva, O.V.; Ivanov, V.P.; Pobedimskaya, E.A.; Belov, N.V.","Synthesis and crystal structure of the basic Na - In silicate Na2 In (Si O4) O H","Doklady Akademii Nauk SSSR","1974","217","","86","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541205","6.8861","","3.5706","","8.337","","90","","90","","90","","204.986","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Nb Zr P","","- Nb P Zr -","- Nb P Zr -","- Nb4 P4 Zr4 -","4","0.5","","Marking, G.A.; Franzen, H.F.","Zr Nb P and Hf Nb P, new phases with the Co2 Si structure","Journal of Alloys Compd.","1994","204","","L17","L20","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541225","10.909","","3.5013","","12.7736","","90","","90","","90","","487.896","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Cr3 Gd S6)2.666","","- Cr7.998 Gd2.666 S15.996 -","- Cr8 Gd2.72 S16 -","- Cr8 Gd2.72 S16 -","1","0.125","","Meerschaut, A.; Lafond, A.; Hoistad, L.M.; Rouxel, J.","Structure determination and magnetic susceptibility of Gd2/3 Cr2 S4","Journal of Solid State Chemistry","1994","111","","276","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","172505","2020-10-21","18:00:00",""
"1541232","7.182","","7.42","","12.671","","90","","90","","90","","675.243","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cd2 Ge As4","","- As4 Cd2 Ge -","- As4 Cd2 Ge -","- As16 Cd8 Ge4 -","4","0.5","","Mikkelsen, J.C.Jr.; Hong, H.Y.-P.","Cd2 Ge As4: A new ternary phase in the Cd1b Ge1b As system","Materials Research Bulletin","1974","9","","1209","1218","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541246","12.87","","8.314","","6.444","","90","","90","","90","","689.516","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(H3 O) (H5 O2) (Ti F6)","","- F6 H8 O3 Ti -","- F6 H8 O3 Ti -","- F24 H32 O12 Ti4 -","4","0.5","","Mootz, D.; Oellers, E.J.; Wiebcke, M.","Hexafluorotitan(IV)-Saeure: Untersuchungen zur Bildung und Struktur kristalliner Hydrate","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","564","","17","25","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541281","8.8","","5.416","","6.823","","90","","90","","90","","325.19","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K Si H3","","- H3 K Si -","- H3 K Si -","- H12 K4 Si4 -","4","0.5","","Mundt, O.; Becker, G.; Hartmann, H.M.; Schwarz, W.","Metallderivate von Molekuelverbindungen. II Darstellung und Struktur des beta - Kaliumsilanids","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","572","","75","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541289","17.038","","7.285","","11.74","","90","","90","","90","","1457.19","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","In Si Tl S4","","- In S4 Si Tl -","- In S4 Si Tl -","- In8 S32 Si8 Tl8 -","8","1","","Nakamura, Yuji; Aruga, Atsushi; Nakai, Izumi; Nagashima, Kozo","The crystal structure of a new thiosilicate of thallium, TlInSiS~4~","Bulletin of the Chemical Society of Japan","1984","57","7","1718","1722","10.1246/bcsj.57.1718","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541315","7.163","","8.851","","6.095","","90","","90","","90","","386.421","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","U (Cr S3)","","- Cr S3 U -","- Cr S3 U -","- Cr4 S12 U4 -","4","0.5","","Noel, H.; Padiou, J.; Prigent, J.","Etude structurale de Cr U S3","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1975","280","","123","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541631","41.91","","9.572","","12.654","","90","","90","","90","","5076.31","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba15 Fe7 S25 -","- Ba15 Fe7 S25 -","- Ba60 Fe28 S100 -","4","0.5","","Lemley, J.T.; Jenks, J.; Hoggins, J.; Eliezer, Z.; Steinfink, H.","Ba15 Fe7 S25 and Ba3 Fe S5. Crystal structures, Moessbauer, magnetic and electrical behavior","Journal of Solid State Chemistry","1976","16","","117","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541641","23.154","","3.9631","","34.91","","90","","90","","90","","3203.4","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sn3 Sb2 S6","","- S6 Sb2 Sn3 -","- S6 Sb2 Sn3 -","- S72 Sb24 Sn36 -","12","1.5","","Parise, J.B.; Smith, P.P.K.; Howard, C.J.","Crystal Structure Refinement of Sn3 Sb2 S6 by High - Resolution Neutron Powder Diffraction","Materials Research Bulletin","1984","19","","503","508","","","","","","","","","","","","","","","","","","","","","","has coordinates","173024","2020-10-21","18:00:00",""
"1541799","8.957","","11.131","","12.378","","90","","90","","90","","1234.09","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","((C O) (C F2)2 (Fe (C O)3)2)","","- C9 F4 Fe2 O7 -","- C9 F4 Fe2 O7 -","- C36 F16 Fe8 O28 -","4","0.5","","Petz, W.; Mealli, C.; Weller, F.; Reinhold, J.; Barthel, A.","Preparation, spectroscopic properties, and crystal structures of Fe2 (C O)6 (mue-(C O)) (mue-(C F2))2, Fe2 (C O)6 (mue-(C O))2 (mue-(C F2)), and Fe2 (C O)6 (mue-(C F2)) (P Ph3)2 - theoretical studies of methylenic carbon bridges","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1859","1869","","","","","","","","","","","","","","","","","","","","","","has coordinates","173297","2020-10-21","18:00:00",""
"1541853","12.7234","","9.4731","","7.8097","","90","","90","","90","","941.303","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Sb Cl5) (N C Cl)","","- C Cl6 N Sb -","- C Cl6 N Sb -","- C4 Cl24 N4 Sb4 -","4","0.5","","Klapoetke, T.M.; Noeth, H.; Schuett, T.; Suter, M.; Warchhold, M.","Synthesis and characterization of the Lewis acid-base complexes SbCl5.LB (LB = ICN, BrCN, ClCN, (CN)2, NH2Cn and pyridine) - a combined theoretical and experimental investigation. The crystal structures of SbCl5.NCCl and SbCl5.NCCN.SbCl5","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1582","1588","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541854","6.849","","8.274","","31.706","","90","","90","","90","","1796.73","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","U2 O5","","- O5 U2 -","- O5 U2 -","- O80 U32 -","16","2","","Kovba, L.M.; Komarevtseva, N.I.; Kuz'mitcheva, E.U.","On the Crystal Structures of U13 O34 and delta-U2 O5","Radiokhimiya","1979","21","","754","757","","","","","","","","","","","","","","","","","","","","","","has coordinates","173393","2020-10-21","18:00:00",""
"1541938","13.629","","13.249","","11.556","","90","","90","","90","","2086.67","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Cs3 (U O2) (N C S)5","","- C5 Cs3 N5 O2 S5 U -","- C5 Cs3 N5 O2 S5 U -","- C20 Cs12 N20 O8 S20 U4 -","4","0.5","","Arutyunyan, E.G.; Porai-Koshits, M.A.","Crystal Structure of Cs3 U O2 (N C S)5","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1966","7","","393","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541954","12.818","","7.067","","8.993","","90","","90","","90","","814.629","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Na Au Cl4 (H2 O)2","","- Au Cl4 H4 Na O2 -","- Au Cl4 H4 Na O2 -","- Au4 Cl16 H16 Na4 O8 -","4","0.5","","Bonamico, M.; Dessy, G.; Vaciago, A.","Sulla struttura del cloroaurato(III) di sodio biidrato e di analoghi composti","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 8 (1, 1946-)","1965","39","","504","509","","","","","","","","","","","","","","","","","","","","","","has coordinates","188927","2020-10-21","18:00:00",""
"1541977","7.694","","5.827","","7.158","","90","","90","","90","","320.914","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)0.95 K0.05 N O3","","- H3.8 K0.05 N1.95 O3 -","- H3.8 K0.05 N1.95 O3 -","- H15.2 K0.2 N7.8 O12 -","4","0.5","","Holden, J.R.; Dickinson, C.W.","Crystal Structures of Three Solid Solution Phases of Ammonium Nitrate and Potassium Nitrate","Journal of Physical Chemistry","1975","79","","249","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","173869","2020-10-21","18:00:00",""
"1541979","7.669","","5.821","","7.12","","90","","90","","90","","317.846","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K.093 (N H4).907 N O3","","- H3.628 K0.093 N1.907 O3 -","- H3.628 K0.093 N1.907 O3 -","- H14.512 K0.372 N7.628 O12 -","4","0.5","","Holden, J.R.; Dickinson, C.W.","Crystal Structures of Three Solid Solution Phases of Ammonium Nitrate and Potassium Nitrate","Journal of Physical Chemistry","1975","79","","249","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","173871","2020-10-21","18:00:00",""
"1541981","7.66","","5.8","","7.112","","90","","90","","90","","315.972","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)0.88 K0.12 N O3","","- H3.52 K0.12 N1.88 O3 -","- H3.52 K0.12 N1.88 O3 -","- H14.08 K0.48 N7.52 O12 -","4","0.5","","Holden, J.R.; Dickinson, C.W.","Crystal Structures of Three Solid Solution Phases of Ammonium Nitrate and Potassium Nitrate","Journal of Physical Chemistry","1975","79","","249","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","173873","2020-10-21","18:00:00",""
"1541983","7.635","","5.739","","7.026","","90","","90","","90","","307.86","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K.366 (N H4).637 N O3","","- H2.548 K0.366 N1.637 O3 -","- H2.548 K0.366 N1.637 O3 -","- H10.192 K1.464 N6.548 O12 -","4","0.5","","Holden, J.R.; Dickinson, C.W.","Crystal Structures of Three Solid Solution Phases of Potassium Nitrate and Ammonium Nitrate","Journal of Physical Chemistry","1975","79","","249","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","173875","2020-10-21","18:00:00",""
"1542001","17.1","","5.205","","8.76","","90","","90","","90","","779.688","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Rb Nb O (S O4)2","","- Nb O9 Rb S2 -","- Nb O9 Rb S2 -","- Nb4 O36 Rb4 S8 -","4","0.5","","Kuznetsov, B.Ya.; Porai-Koshits, M.A.; Rogachev, D.L.; Dikareva, L.M.","Crystal Structure of Rubidium Oxodisulfatoniobate","Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya","1974","1974","","2167","2170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542045","5.535","","10.661","","11.772","","90","","90","","90","","694.65","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Ni (N H3)2) (V O3)2","","- H6 N2 Ni O6 V2 -","- H6 N2 Ni O6 V2 -","- H24 N8 Ni4 O24 V8 -","4","0.5","","Lin, B.-Z.; Liu, S.-X.","Hydrothermal syntheses, structures and magnetic properties of coordination cation metavanadates, Cu (tn)2 (V O3)2 and Ni (N H3)2 (V O3)2","Polyhedron","2000","19","","2521","2527","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542092","9.791","","22.662","","7.653","","90","","90","","90","","1698.08","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cr (O2)2 (N H3)3","","- Cr H9 N3 O4 -","- Cr H9 N3 O4 -","- Cr12 H108 N36 O48 -","12","1.5","","Stomberg, R.","The crystal and molecular structure of diperoxotriamminechromium(IV) (Cr (O2)2 (N H3)3)","Arkiv foer Kemi","1964","22","","49","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","186580","2020-10-21","18:00:00",""
"1542117","10.64","","18.36","","5.04","","90","","90","","90","","984.566","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Zn3 (P O4)2 (H2 O)4","","- H8 O12 P2 Zn3 -","- O12 P2 Zn3 -","- O48 P8 Zn12 -","4","0.5","","Gamidov, R.S.; Mamedov, Kh.S.; Golovachev, V.P.; Belov, N.V.","Crystal structure of hopeite Zn3 (P O4)2 (H2 O)4","Doklady Akademii Nauk SSSR","1963","150","","381","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","174120","2020-10-21","18:00:00",""
"1542118","7.86","","12.5","","7.05","","90","","90","","90","","692.663","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","S5 (N H)3","","- H3 N3 S5 -","- N3 S5 -","- N12 S20 -","4","0.5","","Garcia-Fernandez, H.; Rerat, C.","Heterocycles mineraux. Determination de la structure moleculaire de la cyclopentathiotriimine S5 N3 H3, par radiocristallographie.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1966","262","","1866","1868","","","","","","","","","","","","","","","","","","","","","","has coordinates","174121","2020-10-21","18:00:00",""
"1542122","8.9104","","5.4035","","13.1054","","90","","90","","90","","630.99","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr2 (P2 O7)","","- O7 P2 Sr2 -","- O7 P2 Sr2 -","- O28 P8 Sr8 -","4","0.5","","Hagman, L.O.; Jansson, I.; Magneli, C.","The crystal structure of alpha-Sr2 P2 O7","Acta Chemica Scandinavica (1-27,1973-42,1988)","1968","22","","1419","1429","","","","","","","","","","","","","","","","","","","","","","has coordinates","174129","2020-10-21","18:00:00",""
"1542123","13.3","","10.6","","7","","90","","90","","90","","986.86","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Cr (O N O) (N H3)5 ) Cl2","","- Cl2 Cr H15 N6 O2 -","- Cl2 Cr H15 N6 O2 -","- Cl8 Cr4 H60 N24 O8 -","4","0.5","","Hansson, M.; Boertin, O.","On the crystal structure of nitritopentamminechromium(III) chloride","Acta Chemica Scandinavica (1-27,1973-42,1988)","1968","22","","1689","1689","","","","","","","","","","","","","","","","","","","","","","has coordinates","186628","2020-10-21","18:00:00",""
"1542124","14.265","","9.869","","9.043","","90","","90","","90","","1273.08","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(K1.59 Nd.41) Nd I5","","- I5 K1.59 Nd1.41 -","- I5 K1.5932 Nd1.4068 -","- I20 K6.3728 Nd5.6272 -","4","0.5","","Hohnstedt, C.; Meyer, G.","Metallothermische Reduktion des Tribromids und -iodids von Neodym mit Alkalimatallen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","1379","1383","","","","","","","","","","","","","","","","","","","","","","has coordinates","174137","2020-10-21","18:00:00",""
"1542133","12.405","","9.516","","8.5212","","90","","90","","90","","1005.89","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba3 Fe S5 -","- Ba3 Fe S5 -","- Ba12 Fe4 S20 -","4","0.5","","Lemley, J.T.; Jenks, J.; Eliezer, Z.; Hoggins, J.; Steinfink, H.","Ba15 Fe7 S25 and Ba3 Fe S5. Crystal structures, Moessbauer, magnetic and electrical behavior","Journal of Solid State Chemistry","1976","16","","117","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542136","10.64","","18.36","","5.04","","90","","90","","90","","984.566","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Zn3 (P O4)2 (H2 O)4","","- H8 O12 P2 Zn3 -","- O12 P2 Zn3 -","- O48 P8 Zn12 -","4","0.5","","Mamedov, Kh.S.; Gamidov, R.S.; Belov, N.V.","Crystal structure of hopeite, Zn3 (P O4)2 (H2 O)4","Kristallografiya","1961","6","","114","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","174155","2020-10-21","18:00:00",""
"1542164","12.034","","9.493","","8.531","","90","","90","","90","","974.571","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba3 Fe0.2 Si0.8 S5","","- Ba3 Fe0.2 S5 Si0.8 -","- Ba3 Fe0.2 S5 Si0.8 -","- Ba12 Fe0.8 S20 Si3.2 -","4","0.5","","Rendon-Diazmiron, L.E.; Steinfink, H.","The stabilization of tetravalent iron in tetrahedral sulfur coordination","Journal of Solid State Chemistry","1979","27","","261","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","174188","2020-10-21","18:00:00",""
"1542167","13.267","","9.842","","6.844","","90","","90","","90","","893.647","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K2 Os N Cl5","","- Cl5 K2 N Os -","- Cl5 K2 N Os -","- Cl20 K8 N4 Os4 -","4","0.5","","Atovmyan, L.O.; Tkachev, V.V.","Crystal structure of a new modification of K2 Os N Cl5","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1968","9","","708","710","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542178","13.43","","9.802","","6.895","","90","","90","","90","","907.664","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K2 (Mo O Cl5)","","- Cl5 K2 Mo O -","- Cl5 K2 Mo O -","- Cl20 K8 Mo4 O4 -","4","0.5","","Tkachev, V.V.; Krasochka, O.N.; Atovmyan, L.O.","On the Structure of the Crystals K (Os N Br4 H2 O) H2 O and K2 Mo O Cl5","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1976","17","","940","941","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542199","13.94","","6.01","","8.86","","90","","90","","90","","742.285","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Cu (N H3)2) (S C N)2","","- C2 H6 Cu N4 S2 -","- C2 H6 Cu N4 S2 -","- C8 H24 Cu4 N16 S8 -","4","0.5","","Garaj, J.","Verfeinerung der Kristallstruktur des Dirhodanodiamminkupfer(II)- Komplexes","Chemicke Zvesti","1967","21","","865","876","","","","","","","","","","","","","","","","","","","","","","has coordinates","186580","2020-10-21","18:00:00",""
"1542212","6.458","","5.444","","9.211","","90","","90","","90","","323.834","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K.952 (N H4).048 (N O3)","","- H0.192 K0.952 N1.048 O3 -","- K0.952 N1.048 O3 -","- K3.808 N4.192 O12 -","4","0.5","","Holden, J.R.; Dickinson, C.W.","Crystal structures of three solid solution phases of potassium nitrate and ammonium nitrate","Journal of Physical Chemistry","1975","79","","249","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","174268","2020-10-21","18:00:00",""
"1542242","8.082","","9.164","","4.434","","90","","90","","90","","328.397","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","N H4 F H2 O2","","- F H6 N O2 -","- F H6 N O2 -","- F4 H24 N4 O8 -","4","0.5","","Sarin, V.A.; Dudarev, V.Ya.; Dobrynina, T.A.; Zavodnik, V.E.","An X-Ray structural investigation of N H4 F H2 O2 crystals","Kristallografiya","1979","24","","824","825","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542252","15.957","","5.505","","8.264","","90","","90","","90","","725.937","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs Cr3 O8","","- Cr3 Cs O8 -","- Cr3 Cs O8 -","- Cr12 Cs4 O32 -","4","0.5","","Wilhelmi, K.A.","The crystal structure of Cs Cr3 O8","Arkiv foer Kemi","1967","26","","141","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542316","16.8108","0.0005","19.7138","0.0007","23.9394","0.0009","90","","90","","90","","7933.6","0.5","100","0.1","100","0.1","","","","","","","GeO2","6","P n m a","-P 2ac 2n","62","germanate","PKU-15","","- C12 H32 Ge13.75 N2 O31 Si1.25 -","- C12 H30 Ge14.269 N2 O31 Si0.731 -","- C96 H240 Ge114.152 N16 O248 Si5.848 -","8","1","","Liang, Jie; Xia, Wei; Sun, Junliang; Su, Jie; Dou, Maofeng; Zou, Ruqiang; Liao, Fuhui; Wang, Yingxia; Lin, Jianhua","A multi-dimensional quasi-zeolite with 12 ×10 ×7-ring channels demonstrates high thermal stability and good gas adsorption selectivity","Chem. Sci.","2016","7","5","3025","","10.1039/C5SC04916D","","","0.71073","MoKα","","0.0741","0.0514","","","0.1222","0.1346","","","","","","1.098","","","","has coordinates","182629","2020-10-21","18:00:00",""
"1542369","23.3899","0.0008","6.7857","0.0003","11.147","0.0005","90","","90","","90","","1769.22","0.13","299","2","299","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C25 H15 N O2 -","- C25 H15 N O2 -","- C100 H60 N4 O8 -","4","0.5","","Manjappa, Kiran B.; Syu, Jia-Ru; Yang, Ding-Yah","Visible-Light-Promoted and Yb(OTf)3-Catalyzed Constructions of Coumarin-Pyrrole-(Iso)quinoline-Fused Pentacycles: Synthesis of Lamellarin Core, Lamellarin D Trimethyl Ether, and Lamellarin H.","Organic letters","2016","18","2","332","335","10.1021/acs.orglett.5b03524","","x-ray","0.71073","MoKα","","0.0759","0.0612","","","0.1806","0.1989","","","","","","1.086","","","","has coordinates","175730","2020-10-21","18:00:00",""
"1542376","12.7114","0.001","7.4836","0.0006","10.6854","0.0008","90","","90","","90","","1016.47","0.14","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H8 Br N S -","- C9 H8 Br N S -","- C36 H32 Br4 N4 S4 -","4","0.5","","Wei, Jianpeng; Li, Yiming; Jiang, Xuefeng","Aqueous Compatible Protocol to Both Alkyl and Aryl Thioamide Synthesis.","Organic letters","2016","18","2","340","343","10.1021/acs.orglett.5b03541","","","0.71073","MoKα","","0.0338","0.0265","","","0.0694","0.0732","","","","","","1.058","","","","has coordinates","175737","2020-10-21","18:00:00",""
"1542406","19.1242","0.0017","16.7581","0.0014","18.8909","0.0019","90","","90","","90","","6054.3","1","90","2","90","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C62 H80 N2 O2 P2 Si2 Th -","- C62 H80 N2 O2 P2 Si2 Th -","- C248 H320 N8 O8 P8 Si8 Th4 -","4","0.5","","Gregson, Matthew; Lu, Erli; Tuna, Floriana; McInnes, Eric J. L.; Hennig, Christoph; Scheinost, Andreas C.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Kerridge, Andrew; Liddle, Stephen T.","Emergence of comparable covalency in isostructural cerium(iv)‒ and uranium(iv)‒carbon multiple bonds","Chem. Sci.","2016","7","5","3286","","10.1039/C6SC00278A","","","0.71073","MoKα","","0.066","0.0387","","","0.0761","0.085","","","","","","1.095","","","","has coordinates,has disorder","182630","2020-10-21","18:00:00",""
"1542407","18.4956","0.0002","16.94471","0.00014","18.98054","0.00016","90","","90","","90","","5948.55","0.1","90","2","90","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C59 H82 N2 O3 P2 Si2 U -","- C59 H82 N2 O3 P2 Si2 U -","- C236 H328 N8 O12 P8 Si8 U4 -","4","0.5","","Gregson, Matthew; Lu, Erli; Tuna, Floriana; McInnes, Eric J. L.; Hennig, Christoph; Scheinost, Andreas C.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Kerridge, Andrew; Liddle, Stephen T.","Emergence of comparable covalency in isostructural cerium(iv)‒ and uranium(iv)‒carbon multiple bonds","Chem. Sci.","2016","7","5","3286","","10.1039/C6SC00278A","","","1.54184","CuKα","","0.0221","0.022","","","0.0585","0.0586","","","","","","1.12","","","","has coordinates,has disorder","182630","2020-10-21","18:00:00",""
"1542894","15.8239","0.0008","19.3822","0.001","7.8312","0.0004","90","","90","","90","","2401.8","0.2","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","YR1","","","- C17 H10.5 N P0.5 -","- C17 H10.5 N P0.5 -","- C136 H84 N8 P4 -","8","1","","Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin","[d]-Carbon‒carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines","Chem. Sci.","2016","7","7","4211","","10.1039/C6SC00519E","","","0.71073","","","0.0656","0.0495","","","0.1197","0.1312","","","","","","0.912","","","","has coordinates,has disorder","185117","2020-10-21","18:00:00",""
"1543102","16.6069","0.0013","22.4849","0.0019","11.2503","0.0011","90","","90","","90","","4200.9","0.6","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H72 O Si3 U -","- C39 H72 O Si3 U -","- C156 H288 O4 Si12 U4 -","4","0.5","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","1.54184","CuKα","","0.1465","0.0983","","","0.2378","0.2983","","","","","","1.014","","","","has coordinates","185121","2020-10-21","18:00:00",""
"1543341","16.297","0.006","17.312","0.007","10.642","0.005","90","","90","","90","","3002","2","130","","130","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H43 N2 Ni O2 -","- C32 H43 N2 Ni O2 -","- C128 H172 N8 Ni4 O8 -","4","0.5","","Zhang, Xingjie; Xie, Xin; Liu, Yuanhong","Nickel-catalyzed cyclization of alkyne-nitriles with organoboronic acids involving anti-carbometalation of alkynes","Chem. Sci.","2016","7","9","5815","","10.1039/C6SC01191H","","","0.71073","MoKα","","0.1034","0.0679","","","0.1853","0.2274","","","","","","1.018","","","","has coordinates,has disorder","186342","2020-10-21","18:00:00",""
"1543367","12.0924","0.0002","7.3293","0.0001","15.1975","0.0002","90","","90","","90","","1346.94","0.03","301","","301","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Octaamminecalcium dichloride","","- Ca Cl2 H24 N8 -","- Ca Cl2 H24 N8 -","- Ca4 Cl8 H96 N32 -","4","0.5","WM4011","Kishida, Yoshihiro; Aoki, Masakazu","Calcium octaammine dichloride","IUCrData","2016","1","5","x160835","","10.1107/S241431461600835X","powder diffraction","","0.99958","synchrotron","","0.0295","","","","","","0.02947","0.03926","1.186","","","","","","","has coordinates,has Fobs","186580","2020-10-21","18:00:00",""
"1543381","16.6523","0.0003","10.1363","0.0002","29.6556","0.0006","90","","90","","90","","5005.65","0.17","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H47 B2 Fe N10 -","- C45 H47 B2 Fe N10 -","- C180 H188 B8 Fe4 N40 -","4","0.5","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.0465","0.0436","","","0.1158","0.1176","","","","","","1.04","","","","has coordinates,has disorder","211042","2020-10-21","18:00:00",""
"1543382","25.518","0.004","9.9742","0.0014","13.8788","0.0019","90","","90","","90","","3532.5","0.9","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H39 B2 Fe N10 -","- C39 H39 B2 Fe N10 -","- C156 H156 B8 Fe4 N40 -","4","0.5","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.0686","0.0482","","","0.1218","0.1329","","","","","","1.028","","","","has coordinates","211042","2020-10-21","18:00:00",""
"1543418","14.178","0.003","6.9187","0.0018","7.6407","0.0012","90","","90","","90","","749.5","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3,5-Dibromo-4-methylpyridine","","- C6 H5 Br2 N -","- C6 H5 Br2 N -","- C24 H20 Br8 N4 -","4","0.5","SJ4042","Medjani, Meriem; Brihi, Ouarda; Bouraoui, Hazem; Hamdouni, Noudjoud; Boudjada, Ali; Meinnel, Jean","3,5-Dibromo-4-methylpyridine","IUCrData","2016","1","6","x160859","","10.1107/S2414314616008592","","","0.71073","MoKα","","0.122","0.0511","","","0.125","0.125","","","","","","1.022","","","","has coordinates,has Fobs","183357","2020-10-21","18:00:00",""
"1543521","5.4607","0.0004","7.7373","0.001","5.5026","0.0007","90","","90","","90","","232.49","0.05","","","12","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Co0.1 Cr0.9 La O3 -","- Co0.1 Cr0.9 La O3 -","- Co0.4 Cr3.6 La4 O12 -","4","0.5","","Tilset, B. Gilbu; Fjellvag, H.; Kjekshus, A.; Hauback, B. C.","Properties of LaCo(1-t)Cr(t)O3. IV. Structure and Magnetism","Acta Chemica Scandinavica","1998","52","","733","744","10.3891/acta.chem.scand.52-0733","","neutron","1.825","","","","","","","","","","","","","","","","","","has coordinates","183906","2020-10-21","18:00:00",""
"1543522","5.4624","0.0004","7.7391","0.001","5.5055","0.0007","90","","90","","90","","232.74","0.05","","","120","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Co0.1 Cr0.9 La O3 -","- Co0.1 Cr0.9 La O3 -","- Co0.4 Cr3.6 La4 O12 -","4","0.5","","Tilset, B. Gilbu; Fjellvag, H.; Kjekshus, A.; Hauback, B. C.","Properties of LaCo(1-t)Cr(t)O3. IV. Structure and Magnetism","Acta Chemica Scandinavica","1998","52","","733","744","10.3891/acta.chem.scand.52-0733","","neutron","1.825","","","","","","","","","","","","","","","","","","has coordinates","183907","2020-10-21","18:00:00",""
"1543523","5.4697","0.0005","7.7529","0.0011","5.5118","0.0006","90","","90","","90","","233.73","0.05","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Co0.1 Cr0.9 La O3 -","- Co0.1 Cr0.9 La O3 -","- Co0.4 Cr3.6 La4 O12 -","4","0.5","","Tilset, B. Gilbu; Fjellvag, H.; Kjekshus, A.; Hauback, B. C.","Properties of LaCo(1-t)Cr(t)O3. IV. Structure and Magnetism","Acta Chemica Scandinavica","1998","52","","733","744","10.3891/acta.chem.scand.52-0733","","neutron","1.825","","","","","","","","","","","","","","","","","","has coordinates","183908","2020-10-21","18:00:00",""
"1543524","5.4718","0.0005","7.7491","0.0012","5.5093","0.0009","90","","90","","90","","233.6","0.06","","","11","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cr La O3 -","- Cr La O3 -","- Cr4 La4 O12 -","4","0.5","","Tilset, B. Gilbu; Fjellvag, H.; Kjekshus, A.; Hauback, B. C.","Properties of LaCo(1-t)Cr(t)O3. IV. Structure and Magnetism","Acta Chemica Scandinavica","1998","52","","733","744","10.3891/acta.chem.scand.52-0733","","neutron","1.825","","","","","","","","","","","","","","","","","","has coordinates","183909","2020-10-21","18:00:00",""
"1543525","5.4828","0.0005","7.7692","0.001","5.5217","0.0006","90","","90","","90","","235.21","0.05","","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cr La O3 -","- Cr La O3 -","- Cr4 La4 O12 -","4","0.5","","Tilset, B. Gilbu; Fjellvag, H.; Kjekshus, A.; Hauback, B. C.","Properties of LaCo(1-t)Cr(t)O3. IV. Structure and Magnetism","Acta Chemica Scandinavica","1998","52","","733","744","10.3891/acta.chem.scand.52-0733","","neutron","1.825","","","","","","","","","","","","","","","","","","has coordinates","183910","2020-10-21","18:00:00",""
"1543882","5.4615","0.0013","7.747","0.0008","5.462","0.0011","90","","90","","90","","231.1","0.08","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca2.8 Cr1.2 Fe2.8 La1.2 O12 -","- Ca2.8 Cr1.2 Fe2.8 La1.2 O12 -","- Ca2.8 Cr1.2 Fe2.8 La1.2 O12 -","1","0.125","","Molero-Sánchez, Beatriz; Prado-Gonjal, Jesús; Ávila-Brande, David; Birss, Viola; Morán, Emilio","Microwave-assisted synthesis and characterization of new cathodic material for solid oxide fuel cells: La0.3Ca0.7Fe0.7Cr0.3O3−δ","Ceramics International","2015","41","7","8411","","10.1016/j.ceramint.2015.03.041","powder diffraction","","","X-ray","","","","","","","","","3.1713","","","","","","","","has coordinates","190406","2020-10-21","18:00:00",""
"1544212","19.6761","0.0011","7.233","0.0004","9.9258","0.0007","90","","90","","90","","1412.61","0.15","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","2,3-dihydro-1<i>H</i>-cyclopenta[<i>b</i>]indole-4-carboxylic acid <i>tert</i>-butyl ester","<i>tert</i>-Butyl 2,3-dihydro-1<i>H</i>-cyclopenta[<i>b</i>]indole-4-carboxylate","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","0.5","BV4003","Jordon, Jason A.; Badenock, Jeanese C.; Gribble, Gordon W.; Kaur, Manpreet; Jasinski, Jerry P.","<i>tert</i>-Butyl 2,3-dihydro-1<i>H</i>-cyclopenta[<i>b</i>]indole-4-carboxylate","IUCrData","2016","1","9","x161468","","10.1107/S2414314616014681","","","0.71073","MoKα","","0.0672","0.056","","","0.1389","0.1465","","","","","","1.105","","","","has coordinates,has Fobs","186802","2020-10-21","18:00:00",""
"1544331","10.2897","0.0005","6.6711","0.0003","5.0691","0.0002","90","","90","","90","","347.96","0.03","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","Zn2SiO4 III","","Zn2SiO4 III","- O4 Si Zn2 -","- O4 Si Zn2 -","- O16 Si4 Zn8 -","4","0.5","","Liu, X.; Kanzaki, M.; Xue, X.","Crystal structures of Zn2SiO4 III and IV synthesized at 6.5-8 GPa and 1,273 K","Physics and Chemistry of Minerals","2013","40","","467","478","","","","","","","","","","","","","","","","","","","","","","has coordinates","187462","2020-10-21","18:00:00",""
"1544377","9.3702","0.0003","9.4415","0.0003","9.3301","0.0002","90","","90","","90","","825.42","0.04","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","Mg5TaO3(BO3)3","","","- B3 Mg5 O12 Ta -","- B3 Mg5 O12 Ta -","- B12 Mg20 O48 Ta4 -","4","0.5","","Kawano, T.; Yamane, H.","Synthesis, crystal structures and photoluminescence properties of new oxyborates, Mg5NbO3(BO3)3 and Mg5TaO3(BO3)3, with novel warwickite-type superstrucdtures","Journal of Solid State Chemistry","2011","184","","2466","2471","","","","","","","","","","","","","","","","","","","","","","has coordinates","187628","2020-10-21","18:00:00",""
"1544378","9.3682","0.0003","9.4344","0.0002","9.3379","0.0003","90","","90","","90","","825.31","0.04","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","Mg5NbO3(BO3)3","","","- B3 Mg5 Nb O12 -","- B3 Mg5 Nb O12 -","- B12 Mg20 Nb4 O48 -","4","0.5","","Kawano, T.; Yamane, H.","Synthesis, crystal structures and photoluminescence properties of new oxyborates, Mg5NbO3(BO3)3 and Mg5TaO3(BO3)3, with novel warwickite-type superstrucdtures","Journal of Solid State Chemistry","2011","184","","2466","2471","","","","","","","","","","","","","","","","","","","","","","has coordinates","187629","2020-10-21","18:00:00",""
"1544501","12.2464","0.0006","4.1219","0.0002","14.6816","0.0007","90","","90","","90","","741.1","0.06","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","BaSm2S4","","","- Ba S4 Sm2 -","- Ba S4 Sm2 -","- Ba4 S16 Sm8 -","4","0.5","","Misawa, Y.; Doi, Y.; Hinatsu, Y.","Crystal structures and magnetic properties of ternary sulfides BaLn2S4 (Ln = Sm, Gd-Lu)","Journal of the Ceramic Society of Japan","2009","117","","85","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","187865","2020-10-21","18:00:00",""
"1544534","7.16","0.002","13.378","0.002","14.422","0.001","90","","90","","90","","1381.4","0.4","","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H O16 P3 Tl3 V3 -","- O16 P3 Tl3 V3 -","- O64 P12 Tl12 V12 -","4","0.5","","Huan, Guohe; Johnson, Jack W.; Jacobson, Allan J.; Corcoran, Edwards W. Jr.; Goshorn, David P.","Synthesis and crystal structure of two thallium vanadium phosphates : TlVO2(HPO4) and Tl3V2O3(VO)(PO4)2(HPO4)","Journal of Solid State Chemistry","1991","93","","514","525","10.1016/0022-4596(91)90326-D","","x-ray","0.71069","MoKα","","","0.041","","","0.054","","","","","","","2.51","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544535","10.344","0.001","9.35","0.003","9.731","0.001","90","","90","","90","","941.1","0.3","","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H3 Ni0.5 O6.5 P V -","- H3 Ni0.5 O6.5 P V -","- H24 Ni4 O52 P8 V8 -","8","1","","Lii, K. H.; Mao, L. F.","Hydrothermal synthesis and structural characterization of a nickel(II) vanadyl(IV) phosphate hydrate : Ni0.5VOPO4 . 1.5H2O","Journal of Solid State Chemistry","1992","96","","436","441","10.1016/S0022-4596(05)80278-6","","x-ray","0.7093","MoKα","","","0.025","","","0.024","","","","","","","1.78","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544728","13.679","0.006","10.706","0.004","6.944","0.006","90","","90","","90","","1016","1","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Br3 Co H15 N5 -","- Br3 Co H15 N5 -","- Br12 Co4 H60 N20 -","4","0.5","","Wu, H. X.; Ma, L. D.; Sun, J.; Kong, X. F.","Ab initio structure determination using conventional X-ray powder diffraction – the crystal structure of [Co(NH~3~)~5~Br]Br~2~","Acta Chimica Sinica","1998","56","","1184","1191","","single crystal","","","","","0.028","","","0.037","","","","","","","","","","","","has coordinates","277831","2022-09-14","14:31:33",""
"1544757","24.918","0.006","16.256","0.004","12.349","0.003","90","","90","","90","","5002","2","270","2","200","2","","","","","","","","8","P n m a","-P 2ac 2n","62","Compound 6'","{[SiP(NMe)3]FeN2}{Na(THF)3}","","- C45 H69 Fe N5 Na O3 P3 Si -","- C45 H70 Fe N5 Na O3 P3 Si -","- C180 H280 Fe4 N20 Na4 O12 P12 Si4 -","4","0.5","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.1078","0.0699","","","0.1665","0.1863","","","","","","1.094","","","","has coordinates,has disorder","196367","2020-10-21","18:00:00",""
"1544785","8.276","0.005","24.824","0.015","12.523","0.008","90","","90","","90","","2573","3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H20 F2 N4 S2 Zn -","- C28 H20 F2 N4 S2 Zn -","- C112 H80 F8 N16 S8 Zn4 -","4","0.5","","Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J.","Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes","IUCrJ","2017","4","1","","","10.1107/S2052252516019072","","","0.71073","MoKα","","0.0483","0.0431","","","0.107","0.1098","","","","","","1.083","","","","has coordinates,has disorder","189133","2020-10-21","18:00:00",""
"1544968","12.6569","0.0014","6.8697","0.0007","11.6339","0.0013","90","","90","","90","","1011.56","0.19","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H7 F3 O2 -","- C11 H7 F3 O2 -","- C44 H28 F12 O8 -","4","0.5","","Xiang, Haoyue; Zhao, Qinglan; Tang, Zhenyu; Xiao, Junan; Xia, Pengju; Wang, Chaoming; Yang, Chunhao; Chen, Xiaoqing; Yang, Hua","Visible-Light-Driven, Radical-Triggered Tandem Cyclization of o-Hydroxyaryl Enaminones: Facile Access to 3-CF2 /CF3-Containing Chromones.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03441","","","0.71073","MoKα","","0.053","0.0455","","","0.1253","0.1365","","","","","","1.111","","","","has coordinates,has disorder","189722","2020-10-21","18:00:00",""
"1545073","7.03255","0.00003","5.86684","0.00002","9.3856","0.00004","90","","90","","90","","387.239","0.003","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag Ca O4 V -","- Ag Ca O4 V -","- Ag4 Ca4 O16 V4 -","4","0.5","","PANalytical","AgCaVO4 : structure solution from a benchtop X-ray powder diffractometer","Aeris Research Edition","2017","1","","1","2","","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","190700","2020-10-21","18:00:00",""
"1545107","16.6847","0.0006","14.6954","0.0006","10.9866","0.0004","90","","90","","90","","2693.79","0.18","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H38 B10 Ir2 O2 -","- C20 H38 B10 Ir2 O2 -","- C80 H152 B40 Ir8 O8 -","4","0.5","","Borthakur, Rosmita; Kar, Sourav; Barik, Subrat Kumar; Bhattacharya, Somnath; Kundu, Gargi; Varghese, Babu; Ghosh, Sundargopal","Synthesis, Chemistry, and Electronic Structures of Group 9 Metallaboranes.","Inorganic chemistry","2017","56","3","1524","1533","10.1021/acs.inorgchem.6b02626","","","0.71073","MoKα","","0.0477","0.0346","","","0.0858","0.0962","","","","","","1.137","","","","has coordinates,has disorder","193458","2020-10-21","18:00:00",""
"1545241","5.874","0.0004","13.082","0.0007","19.297","0.0012","90","","90","","90","","1482.85","0.16","100","2","99.65","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H8 O6 Pb S -","- C14 H8 O6 Pb S -","- C56 H32 O24 Pb4 S4 -","4","0.5","","Alkordi, Mohamed H.; Belmabkhout, Youssef; Cairns, Amy; Eddaoudi, Mohamed","Metal‒organic frameworks for H~2~ and CH~4~ storage: insights on the pore geometry‒sorption energetics relationship","IUCrJ","2017","4","2","131","135","10.1107/S2052252516019060","","","1.54178","CuKα","","0.04","0.0387","","","0.1014","0.1025","","","","","","0.888","","","","has coordinates","193978","2020-10-21","18:00:00",""
"1545313","14.3929","0.0006","17.8516","0.0008","26.7111","0.0011","90","","90","","90","","6863.1","0.5","293.15","","293.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H20 N2 O16 Zn3 -","- C24 H20 N2 O16 Zn3 -","- C192 H160 N16 O128 Zn24 -","8","1","","Liu, YuShuang; Luo, Yu Hui; Li, Li; Zhang, Hong","An electron-transfer photochromic crystalline MOF accompanying photoswitchable luminescence in a host‒guest system","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00002B","","","0.71073","MoKα","","0.0819","0.0535","","","0.1393","0.1558","","","","","","1.024","","","","has coordinates,has disorder","192479","2020-10-21","18:00:00",""
"1545315","7.204","0.003","13.741","0.004","14.831","0.003","90","","90","","90","","1468.1","0.8","","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- As3 H13 N3 O16 V3 -","- As3 N3 O16 V3 -","- As12 N12 O64 V12 -","4","0.5","","Haushalter, Robert C.; Mayer, Linda; Dhingra, Sandeep, S.; Thompson, Mark E.; Wang, Zhanwen; Zubieta, Jon","Hydrothermal synthesis and crystal and molecular structure of a three-dimensional vanado-arsonate (NH4)3[(VO)(V2O3)(AsO4)2(HAsO4)], exhibiting both {V-O-V}inf chains and isolated {V2O3} units","Inorganica Chimica Acta","1994","218","","59","63","10.1016/0020-1693(93)03784-8","","x-ray","0.71069","MoKα","","","0.079","","","0.082","","","","","","","3.76","","","","has coordinates","192488","2020-10-21","18:00:00",""
"1545418","10.4528","0.00017","6.38673","0.0001","10.87638","0.00019","90","","90","","90","","726.1","0.02","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Co F Li2 O4 P -","- Co F Li2 O4 P -","- Co8 F8 Li16 O32 P8 -","8","1","","Fedotov, Stanislav S.; Kabanov, Artem A.; Kabanova, Natalia A.; Blatov, Vladislav A.; Zhugayevych, Andriy; Abakumov, Artem M.; Khasanova, Nellie R.; Antipov, Evgeny V.","Crystal Structure and Li-Ion Transport in Li2CoPO4F High-Voltage Cathode Material for Li-Ion Batteries","The Journal of Physical Chemistry C","2017","121","6","3194","","10.1021/acs.jpcc.6b11027","powder diffraction","neutron","1.494","neutrons","","0.0145","0.0145","","0.0186","0.0186","","","","1.82","","","","","","","has coordinates","288316","2023-12-14","16:51:45",""
"1545514","9.581","0.001","9.611","0.001","5.663","0.001","90","","90","","90","","521.47","0.12","","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F8 Li4 Zr -","- F8 Li4 Zr -","- F32 Li16 Zr4 -","4","0.5","","Dugat, Pierre; El-Ghozzi, Malika; Metin, Jacques; Avignant, Daniel","Crystal Structures of Li4ZrF8 and Li3Zr4F19 and Reinvestigation of the LiF-ZrF4 Phase Diagram","Journal of Solid State Chemistry","1995","120","","187","196","10.1006/jssc.1995.1396","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","0.0574","","","","","","","","has coordinates","194040","2020-10-21","18:00:00",""
"1545529","12.9335","0.0012","20.866","0.0018","10.2861","0.0009","90","","90","","90","","2775.9","0.4","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C27 H41 B N2 O P2 -","- C27.0002 H41 B1.0002 N2 O1.0002 P2 -","- C108.001 H164 B4.0008 N8 O4.0008 P8 -","4","0.5","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","1.54178","CuKα","K-L~3~","0.0641","0.0597","","","0.1716","0.1764","","","","","","1.082","","","","has coordinates,has disorder","196324","2020-10-21","18:00:00",""
"1545531","21.5089","0.0011","17.8123","0.0009","9.2449","0.0005","90","","90","","90","","3541.9","0.3","100.15","","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","AdamPPCO","","- C38 H53 N3 O P2 -","- C38 H53 N3 O P2 -","- C152 H212 N12 O4 P8 -","4","0.5","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","0.71073","MoKα","K-L~3~","0.0724","0.0483","","","0.1031","0.114","","","","","","1.059","","","","has coordinates","196324","2020-10-21","18:00:00",""
"1545552","29.6933","0.0004","29.9161","0.0004","10.8656","0.0001","90","","90","","90","","9652","0.2","120","2","120","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C106 H130 B K N8 O5 U2 -","- C106 H130 B K N8 O5 U2 -","- C424 H520 B4 K4 N32 O20 U8 -","4","0.5","","Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.","Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes","Chem. Sci.","2017","8","5","3609","","10.1039/C7SC00382J","","","1.54184","CuKα","","0.0626","0.047","","","0.1173","0.1305","","","","","","1.064","","","","has coordinates,has disorder","196334","2020-10-21","18:00:00",""
"1546027","6.8709","","5.601","","9.5563","","90","","90","","90","","367.764","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","alpha1H dicalcium silicate","","- Ca2 O4 Si -","- Ca2 O4 Si -","- Ca8 O16 Si4 -","4","0.5","","Mumme, W.G.; Cranswick, L.; Chakoumakos, B.","Rietveld crystal structure refinement from high temperature neutron powder diffraction data for the polymorphs of dicalcium silicate","Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-)","1996","170","","171","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","196668","2020-10-21","18:00:00",""
"1546030","9.812","0.005","5.412","0.003","13.93","0.01","90","","90","","90","","739.7","0.8","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cr2 F9 K Pb -","- Cr2 F9 K Pb -","- Cr8 F36 K4 Pb4 -","4","0.5","","Vlasse, M.; Chaminade, J. P.; Dance, J. M.; Saux, M.; Hagenmuller, P.","Structural and magnetic properties of KPbCr2F9","Journal of Solid State Chemistry","1982","41","","272","276","10.1016/0022-4596(82)90146-3","","x-ray","0.70942","MoKα","","","0.041","","","","","","","","","","","","","","has coordinates","196672","2020-10-21","18:00:00",""
"1546105","8.382","0.002","6.087","0.001","12.285","0.002","90","","90","","90","","626.8","0.2","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cu3 H4 O8 Se -","- Cu3 H4 O8 Se -","- Cu12 H16 O32 Se4 -","4","0.5","","Gerald Giester","Crystal structure of synthetic Cu3SeO4(OH)4","Monatshefte fur Chemie","1991","122","","229","234","10.1007/BF00810821","","x-ray","0.71069","MoKα","","","0.026","","","0.021","","","","","","","","","","","has coordinates","196942","2020-10-21","18:00:00",""
"1546215","25.771","0.003","6.8258","0.0008","7.1894","0.0005","90","","90","","90","","1264.7","0.2","293","2","293.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","0.5","","Lv, Ningning; Chen, Zhengkai; Liu, Yue; Liu, Zhanxiang; Zhang, Yuhong","Synthesis of Functionalized Indenones via Rh-Catalyzed C-H Activation Cascade Reaction.","Organic letters","2017","19","10","2588","2591","10.1021/acs.orglett.7b00906","","","0.71073","MoKα","","0.066","0.045","","","0.11","0.1235","","","","","","1.038","","","","has coordinates","197360","2020-10-21","18:00:00",""
"1546286","26.256","0.005","21.16","0.004","10.086","0.002","90","","90","","90","","5603.5","1.9","173","2","173","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C45 H42 Ag4 F9 I N14 O10 S3 -","- C45 H42 Ag4.001 F9 I N14 O10 S3 -","- C180 H168 Ag16.004 F36 I4 N56 O40 S12 -","4","0.5","","Zhang, Qiong-You; He, Xin; Zhao, Liang","Macrocycle-assisted synthesis of non-stoichiometric silver(I) halide electrocatalysts for efficient chlorine evolution reaction","Chem. Sci.","2017","","","","","10.1039/C7SC00575J","","","0.71073","MoKα","","0.1011","0.0835","","","0.1377","0.1439","","","","","","1.209","","","","has coordinates,has disorder","197727","2020-10-21","18:00:00",""
"1546389","10.9629","0.0009","8.0873","0.0007","14.1771","0.001","90","","90","","90","","1256.95","0.17","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C10 H3 B F4 K N3 O -","- C10 H3 B F4 K N3 O -","- C40 H12 B4 F16 K4 N12 O4 -","4","0.5","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0483","0.0362","","","0.0934","0.0984","","","","","","1.072","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546541","20.237","0.003","15.315","0.002","9.1804","0.0013","90","","90","","90","","2845.3","0.7","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C32 H30 Cl Ge Nb O3 -","- C32 H30 Cl Ge Nb O3 -","- C128 H120 Cl4 Ge4 Nb4 O12 -","4","0.5","","Filippou, Alexander C.; Hoffmann, David; Schnakenburg, Gregor","Triple bonds of niobium with silicon, germaniun and tin: the tetrylidyne complexes [(κ3-tmps)(CO)2NbE‒R] (E = Si, Ge, Sn; tmps = MeSi(CH2PMe2)3; R = aryl)","Chem. Sci.","2017","","","","","10.1039/C7SC02708G","","","0.71073","MoKα","","0.0599","0.0384","","","0.0834","0.0907","","","","","","1.066","","","","has coordinates","198734","2020-10-21","18:00:00",""
"1546582","13.521","0","7.253","0.002","9.439","0.009","90","","90","","90","","925.7","0.9","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cs2 O8 P2 Ti -","- Cs2 O8 P2 Ti -","- Cs8 O32 P8 Ti4 -","4","0.5","","Daidouh, Abdelaali; Veiga, M. L.; Pico, C.","Structure determination of the new layered compound Cs2TiP2O8 and ionic conductivity of Cs2MP2O8 (M = Ti, V)","Solid State Ionics","1997","104","","285","294","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","0.087","","","","4.46","","","","has coordinates","198892","2020-10-21","18:00:00",""
"1546718","15.6744","0.0012","6.9475","0.0005","11.988","0.0008","90","","90","","90","","1305.47","0.16","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-Isopropyl-4,7-dimethyl-1-nitronaphthalene","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","0.5","","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Mazoir, Noureddine; Daran, Jean-Claude; Berraho, Moha","2-Isopropyl-4,7-dimethyl-1-nitronaphthalene","IUCrData","2017","2","4","x170584","","10.1107/S2414314617005843","","","0.71073","MoKα","","0.0468","0.0401","","","0.1033","0.11","","","","","","1.063","","","","has coordinates,has Fobs","199314","2020-10-21","18:00:00",""
"1546720","12.2269","0.0004","6.7034","0.0003","14.0817","0.0005","90","","90","","90","","1154.16","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ethyl 1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylate","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","0.5","SJ4124","Filali Baba, Yassir; Kandri Rodi, Youssef; Hayani, Sonia; Jasinski, Jerry P.; Kaur, Manpreet; Essassi, El Mokhtar","Ethyl 1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylate","IUCrData","2017","2","6","x170917","","10.1107/S2414314617009178","","","1.54184","CuKα","","0.0503","0.0419","","","0.1125","0.1189","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","199316","2020-10-21","18:00:00",""
"1546748","15.8203","0.0017","6.8156","0.0007","8.7275","0.0008","90","","90","","90","","941.04","0.16","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","benzylammonium nitrate","4-Methoxybenzylammonium nitrate","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C32 H48 N8 O16 -","4","0.5","BH4027","Umarani, P.; Thiruvalluvar, A.; Ramachandra Raja, C.","4-Methoxybenzylammonium nitrate","IUCrData","2017","2","8","x171114","","10.1107/S2414314617011142","","","0.71073","MoKα","","0.0737","0.0401","","","0.1065","0.131","","","","","","1.062","","","","has coordinates,has Fobs","199462","2020-10-21","18:00:00",""
"1546952","21.918","0.004","6.9184","0.0012","8.0372","0.0014","90","","90","","90","","1218.7","0.4","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H7 F3 O2 S -","- C13 H7 F3 O2 S -","- C52 H28 F12 O8 S4 -","4","0.5","","Wang, Ming; Chen, Shihao; Jiang, Xuefeng","Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts.","Organic letters","2017","19","18","4916","4919","10.1021/acs.orglett.7b02388","","","0.71073","MoKα","","0.1027","0.0792","","","0.2175","0.2389","","","","","","1.085","","","","has coordinates,has disorder","201758","2020-10-21","18:00:00",""
"1547274","15.804","0.003","4.2293","0.0006","25.855","0.004","90","","90","","90","","1728.1","0.5","295","","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba D1.56 Ge -","- Ba D1.55967 Ge -","- Ba24 D37.432 Ge24 -","24","3","","Auer, Henry; Schlegel, Robert; Oeckler, Oliver; Kohlmann, Holger","Structural and Electronic Flexibility in Hydrides of Zintl Phases with Tetrel-Hydrogen and Tetrel-Tetrel Bonds","Angewandte Chemie International Edition","2017","56","40","12344","12347","10.1002/anie.201706523","powder diffraction","","1.79725","neutron","","","","","","","","","3.03","2.14","","","","","","","has coordinates","201106","2020-10-21","18:00:00",""
"1547275","15.0698","0.0019","3.9503","0.0002","24.6424","0.0019","90","","90","","90","","1467","0.2","295","","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- D1.49 Si Sr -","- D1.49167 Si Sr -","- D35.8 Si24 Sr24 -","24","3","","Auer, Henry; Schlegel, Robert; Oeckler, Oliver; Kohlmann, Holger","Structural and Electronic Flexibility in Hydrides of Zintl Phases with Tetrel-Hydrogen and Tetrel-Tetrel Bonds","Angewandte Chemie International Edition","2017","56","40","12344","","10.1002/anie.201706523","powder diffraction","","1.86693","neutron","","","","","","","","","3.34","3.13","","","","","","","has coordinates","201107","2020-10-21","18:00:00",""
"1547472","5.05","","6.92","","4.82","","90","","90","","90","","168.44","","","","","","","","","","","","Tenham L6 Chondrite;","7","P n m a","-P 2ac 2n","62","","","Bridgmanite","- Ca0.08 Fe1.6 Mg2.8 Mn0.04 Na0.12 O12 Si3.6 -","- Ca0.08 Fe1.6 Mg2.8 Mn0.04 Na0.12 O12 Si3.6 -","- Ca0.08 Fe1.6 Mg2.8 Mn0.04 Na0.12 O12 Si3.6 -","1","0.125","","Oliver Tschauner; Chi Ma; John R. Beckett; Clemens Prescher; Vitali B. Prakapenka; George R. Rossman","Bridgmanite - the most abundant mineral in Earth discovered in the Tenham L6 Chondrite","Science","2014","346","","1100","1102","10.1126/science.1259369","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"1547658","17.899","0.014","7.93","0.006","10.381","0.008","90","","90","","90","","1473","2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H14 Bi Br5 N2 -","- C4 H14 Bi Br5 N2 -","- C16 H56 Bi4 Br20 N8 -","4","0.5","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.0669","0.0545","","","0.1148","0.12","","","","","","1.176","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547659","17.697","0.014","7.639","0.006","10.071","0.008","90","","90","","90","","1361.5","1.9","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H14 Bi Br3.1 Cl1.9 N2 -","- C4 H14 Bi Br3.1 Cl1.9 N2 -","- C16 H56 Bi4 Br12.4 Cl7.6 N8 -","4","0.5","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.1267","0.1164","","","0.307","0.3169","","","","","","1.178","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547660","17.891","0.018","7.722","0.008","10.203","0.011","90","","90","","90","","1410","3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H14 Bi Br1.8 Cl3.2 N2 -","- C4 H14 Bi Br1.8 Cl3.2 N2 -","- C16 H56 Bi4 Br7.2 Cl12.8 N8 -","4","0.5","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.1256","0.0992","","","0.24","0.2583","","","","","","1.253","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547661","17.693","0.003","7.6587","0.0011","10.1094","0.0019","90","","90","","90","","1369.9","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H14 Bi Br1.4 Cl3.6 N2 -","- C4 H14 Bi Br1.4 Cl3.6 N2 -","- C16 H56 Bi4 Br5.6 Cl14.4 N8 -","4","0.5","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.1093","0.0871","","","0.2177","0.2312","","","","","","1.277","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547662","17.755","0.008","7.681","0.004","10.12","0.005","90","","90","","90","","1380.1","1.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H14 Bi Br1.1 Cl3.9 N2 -","- C4 H14 Bi Br1.1 Cl3.9 N2 -","- C16 H56 Bi4 Br4.4 Cl15.6 N8 -","4","0.5","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.0815","0.0689","","","0.1793","0.1964","","","","","","1.316","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547958","10.3829","0.0006","13.4805","0.0009","9.7632","0.0011","90","","90","","90","","1366.5","0.2","300","","300","","","","100000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0338","0.0301","","0.0342","0.0283","0.0283","","","","","","0.9127","","","","has coordinates","203047","2020-10-21","18:00:00",""
"1547959","10.2971","0.0005","13.4016","0.0009","9.6238","0.001","90","","90","","90","","1328.06","0.18","300","","300","","","","300000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0298","0.0257","","0.0275","0.0222","0.0222","","","","","","0.9141","","","","has coordinates","203048","2020-10-21","18:00:00",""
"1547960","10.118","0.0006","13.259","0.002","9.3321","0.0006","90","","90","","90","","1251.9","0.2","300","","300","","","","1200000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0234","0.0178","","0.024","0.0197","0.0197","","","","","","0.881","","","","has coordinates","203049","2020-10-21","18:00:00",""
"1547961","10.0281","0.0005","13.122","0.002","9.1585","0.0005","90","","90","","90","","1205.2","0.2","300","","300","","","","1800000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0283","0.0234","","0.03","0.023","0.023","","","","","","0.9963","","","","has coordinates","203050","2020-10-21","18:00:00",""
"1547962","9.9548","0.001","12.959","0.005","9.0069","0.0011","90","","90","","90","","1161.9","0.5","300","","300","","","","2600000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0334","0.0287","","0.0382","0.0332","0.0332","","","","","","1.0081","","","","has coordinates","203051","2020-10-21","18:00:00",""
"1547963","9.835","0.002","12.816","0.015","8.746","0.003","90","","90","","90","","1102.4","1.4","300","","300","","","","4300000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0948","0.0702","","0.0599","0.0508","0.0508","","","","","","1.1071","","","","has coordinates","203052","2020-10-21","18:00:00",""
"1547964","10.4093","0.0004","13.5203","0.0005","9.8134","0.0003","90","","90","","90","","1381.11","0.08","300","","300","","","","","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.71073","MoKα","","0.022","0.0194","","0.0206","0.0189","0.0189","","","","","","1.0682","","","","has coordinates","203053","2020-10-21","18:00:00",""
"1547965","10.261","0.0002","13.4766","0.0003","9.5069","0.0002","90","","90","","90","","1314.65","0.05","4","","4","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0151","0.0149","","","0.0339","0.034","","","","","","1.287","","","","has coordinates,has disorder","203054","2020-10-21","18:00:00",""
"1548001","19.1815","0.0018","19.125","0.0019","12.1896","0.0012","90","","90","","90","","4471.7","0.8","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H60 N2 P2 Si4 U -","- C39 H60 N2 P2 Si4 U -","- C156 H240 N8 P8 Si16 U4 -","4","0.5","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","","1.54184","CuKα","","0.0948","0.0857","","","0.2269","0.2364","","","","","","1.044","","","","has coordinates,has disorder","203116","2020-10-21","18:00:00",""
"1548005","19.2611","0.0016","19.2083","0.0018","12.23","0.0011","90","","90","","90","","4524.8","0.7","90","2","90.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H60 N2 P2 Si4 Th -","- C39 H60 N2 P2 Si4 Th -","- C156 H240 N8 P8 Si16 Th4 -","4","0.5","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","","0.71073","MoKα","","0.1123","0.0828","","","0.2095","0.2391","","","","","","1.167","","","","has coordinates,has disorder","203120","2020-10-21","18:00:00",""
"1548453","8.81155","0.00006","12.58714","0.00009","8.55975","0.00006","90","","90","","90","","949.381","0.011","","","10","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C H0.378 D5.622 I3 N Pb -","- C H0.378 D5.622 I3 N Pb -","- C4 H1.512 D22.488 I12 N4 Pb4 -","4","0.5","","P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford","Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide","Scientific Reports","2016","6","","35685","","10.1038/srep35685","powder diffraction","neutron","","","","","","","","","","","","","","","2.71","","","","has coordinates","204239","2020-10-21","18:00:00",""
"1548471","12.343","0.0004","9.5901","0.0003","8.4468","0.0003","90","","90","","90","","999.85","0.06","","","4","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba3 Br Fe S4 -","- Ba3 Br Fe S4 -","- Ba12 Br4 Fe4 S16 -","4","0.5","","Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang","Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange","Scientific Reports","2015","5","","15910","","10.1038/srep15910","powder diffraction","neutron","1.5398","","","","","","","","","","","","","","1.742","","","","has coordinates","204315","2020-10-21","18:00:00",""
"1548472","12.3636","0.0005","9.5974","0.0004","8.4596","0.0003","90","","90","","90","","1003.8","0.07","","","130","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba3 Br Fe S4 -","- Ba3 Br Fe S4 -","- Ba12 Br4 Fe4 S16 -","4","0.5","","Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang","Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange","Scientific Reports","2015","5","","15910","","10.1038/srep15910","powder diffraction","neutron","1.5398","","","","","","","","","","","","","","1.591","","","","has coordinates","204316","2020-10-21","18:00:00",""
"1548473","12.4081","0.0005","9.6132","0.0004","8.4859","0.0004","90","","90","","90","","1012.21","0.08","","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba3 Br Fe S4 -","- Ba3 Br Fe S4 -","- Ba12 Br4 Fe4 S16 -","4","0.5","","Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang","Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange","Scientific Reports","2015","5","","15910","","10.1038/srep15910","powder diffraction","neutron","1.5398","","","","","","","","","","","","","","1.387","","","","has coordinates","204317","2020-10-21","18:00:00",""
"1548583","11.6328","0.0011","14.0632","0.0012","11.9721","0.0011","90","","90","","90","","1958.6","0.3","100","0.1","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Chlorido[tris(<i>m</i>-tolylarsane)gold(I)","","- C21 H21 As Au Cl -","- C21 H21 As Au Cl -","- C84 H84 As4 Au4 Cl4 -","4","0.5","","Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli","Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study","Plos One","2015","10","","e0119620","","10.1371/journal.pone.0119620","","","0.71073","MoKα","","0.0506","0.0375","","","0.0855","0.0911","","","","","","1.148","","","","has coordinates,has disorder","204687","2020-10-21","18:00:00",""
"1548620","20.271","0.018","20.104","0.0016","13.641","0.005","90","","90","","90","","5559","5","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2345","0.1611","","","0.406","0.452","","","","","","1.154","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548621","20.235","0.016","20.135","0.006","13.673","0.006","90","","90","","90","","5571","5","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.3398","0.2618","","","0.5387","0.5754","","","","","","1.472","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548622","20.508","0.0018","20.144","0.01","13.465","0.004","90","","90","","90","","5563","3","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.3556","0.1966","","","0.4429","0.52","","","","","","1.204","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548623","20.03","0.04","20.08","0.02","13.775","0.013","90","","90","","90","","5540","13","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2932","0.2072","","","0.4694","0.5124","","","","","","1.456","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548624","20.33","0.02","20.12","0.06","13.636","0.008","90","","90","","90","","5578","18","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2342","0.156","","","0.4227","0.4601","","","","","","1.442","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548625","20.135","0.004","20.016","0.004","13.532","0.003","90","","90","","90","","5454","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.3666","0.1998","","","0.4455","0.526","","","","","","1.201","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548626","20.197","0.004","20.072","0.004","13.49","0.003","90","","90","","90","","5469","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2408","0.173","","","0.4626","0.4945","","","","","","1.577","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548627","20.586","0.004","20.008","0.004","13.467","0.003","90","","90","","90","","5547","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2537","0.2009","","","0.4854","0.5187","","","","","","1.677","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548628","20.393","0.004","20.198","0.004","13.469","0.003","90","","90","","90","","5548","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.3128","0.1729","","","0.4239","0.4966","","","","","","1.234","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548629","20.135","0.004","20.016","0.004","13.532","0.003","90","","90","","90","","5454","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.278","0.2038","","","0.4286","0.4731","","","","","","1.325","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548630","20.51","0.004","20.14","0.004","13.47","0.003","90","","90","","90","","5564","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.3031","0.1998","","","0.4503","0.5062","","","","","","1.324","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548631","20.43","0.004","20.1","0.004","13.55","0.003","90","","90","","90","","5564","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2388","0.1835","","","0.4364","0.4764","","","","","","1.406","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548658","20.235","0.016","20.135","0.006","13.673","0.006","90","","90","","90","","5571","5","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2665","0.2086","","","0.4575","0.4959","","","","","","1.329","","","","has coordinates","205068","2020-10-21","18:00:00",""
"1548738","14.6048","0.0015","7.4486","0.0004","9.5237","0.0005","90","","90","","90","","1036.04","0.13","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0573","0.0424","","","0.0977","0.1197","","","","","","1.187","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548739","14.7295","0.0011","7.3639","0.0003","9.5828","0.0004","90","","90","","90","","1039.41","0.1","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0676","0.0497","","","0.1216","0.1486","","","","","","1.113","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548740","14.7688","0.001","7.3395","0.0003","9.5973","0.0004","90","","90","","90","","1040.31","0.09","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0744","0.0551","","","0.1495","0.1859","","","","","","1.159","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548741","14.5868","0.0013","7.4684","0.0003","9.513","0.0005","90","","90","","90","","1036.35","0.12","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0819","0.0587","","","0.1418","0.1736","","","","","","1.139","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548742","14.471","0.0009","7.5428","0.0003","9.4556","0.0005","90","","90","","90","","1032.1","0.09","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0631","0.0486","","","0.1182","0.1451","","","","","","1.202","","","","has coordinates","228679","2020-10-21","18:00:00",""
"1548743","14.7589","0.0012","7.348","0.0003","9.5909","0.0004","90","","90","","90","","1040.12","0.1","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0764","0.0568","","","0.1436","0.1891","","","","","","1.132","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548744","14.5467","0.0012","7.4933","0.0004","9.4931","0.0005","90","","90","","90","","1034.77","0.12","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0761","0.0562","","","0.1391","0.1707","","","","","","1.134","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548745","14.6615","0.0014","7.4138","0.0004","9.5536","0.0005","90","","90","","90","","1038.45","0.13","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.064","0.0463","","","0.1094","0.1321","","","","","","1.121","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548746","14.7005","0.0012","7.3877","0.0003","9.5676","0.0005","90","","90","","90","","1039.07","0.11","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0723","0.0514","","","0.1235","0.1517","","","","","","1.073","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548747","14.6166","0.0011","7.4465","0.0003","9.5286","0.0005","90","","90","","90","","1037.12","0.1","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0756","0.0564","","","0.1381","0.1676","","","","","","1.133","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548748","14.4836","0.0012","7.5409","0.0004","9.4574","0.0005","90","","90","","90","","1032.93","0.12","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0725","0.055","","","0.1457","0.1751","","","","","","1.144","","","","has coordinates","228679","2020-10-21","18:00:00",""
"1548749","14.8308","0.0013","7.2957","0.0004","9.6188","0.0005","90","","90","","90","","1040.76","0.12","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0681","0.0485","","","0.1191","0.1495","","","","","","1.165","","","","has coordinates","228679","2020-10-21","18:00:00",""
"1548751","19.791","0.019","17.344","0.016","7.941","0.007","90","","90","","90","","2726","4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C26 H24 N4 O5 -","- C26 H24 N4 O5 -","- C104 H96 N16 O20 -","4","0.5","","He, Haihong; Ye, Zhiwei; Xiao, Yi; Yang, Wei; Qian, Xuhong; Yang, Youjun","Super-Resolution Monitoring of Mitochondrial Dynamics upon Time-Gated Photo-Triggered Release of Nitric Oxide.","Analytical chemistry","2018","","","","","10.1021/acs.analchem.7b04510","","","0.71073","MoKα","","0.1093","0.0697","","","0.1864","0.2078","","","","","","1.032","","","","has coordinates,has disorder","205501","2020-10-21","18:00:00",""
"1548928","13.1834","0.0005","34.0491","0.0013","10.3637","0.0004","90","","90","","90","","4652.1","0.3","150","2","150","2","","","","","","","synthesized by the authors","6","P n m a","-P 2ac 2n","62","","","","- C40 H42 Br2 F22 N2 Ni -","- C40 H42 Br2 F22 N2 Ni -","- C160 H168 Br8 F88 N8 Ni4 -","4","0.5","","Mundil, Robert; Sokolohorskyj, Anatolij; Hošek, Jan; Cvačka, Josef; Císařová, Ivana; Kvíčala, Jaroslav; Merna, Jan","Nickel and palladium complexes with fluorinated alkyl substituted α-diimine ligands for living/controlled olefin polymerization","Polymer Chemistry","2018","9","10","1234","","10.1039/C8PY00201K","","","0.71073","MoKα","","0.038","0.0331","","","0.08","0.0824","","","","","","1.095","","","","has coordinates","230951","2020-10-21","18:00:00",""
"1549007","10.4838","0.0007","6.8965","0.0005","12.8538","0.0009","90","","90","","90","","929.35","0.11","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","2-amino-4,5-dimethylacetophenone","1-(2-Amino-4,5-dimethylphenyl)ethanone","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","0.5","SJ4164","Bosch, Eric; Jeffries, Laura","1-(2-Amino-4,5-dimethylphenyl)ethanone","IUCrData","2018","3","2","x180313","","10.1107/S2414314618003139","","","0.71073","MoKα","","0.0522","0.0399","","","0.1047","0.1162","","","","","","1.087","","","","has coordinates,has Fobs","206722","2020-10-21","18:00:00",""
"1549074","15.116","0.0014","6.8728","0.0006","12.7492","0.0011","90","","90","","90","","1324.5","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","5-Bromo-1-(4-bromophenyl)isatin","5-Bromo-1-(4-bromophenyl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C14 H7 Br2 N O2 -","- C14 H7 Br2 N O2 -","- C56 H28 Br8 N4 O8 -","4","0.5","HB4216","El-Hiti, Gamal A.; Smith, Keith; Alamri, Mesfer; Morris, Ceri A.; Kille, Peter; Kariuki, Benson M.","5-Bromo-1-(4-bromophenyl)isatin","IUCrData","2018","3","3","x180426","","10.1107/S2414314618004261","","","0.71073","MoKα","","0.0775","0.0407","","","0.0789","0.0963","","","","","","1.059","","","","has coordinates,has Fobs","206983","2020-10-21","18:00:00",""
"1549179","26.6907","0.0019","22.7441","0.0016","5.7141","0.0005","90","","90","","90","","3468.8","0.5","168","2","168","2","","","","","","","","6","P n m a","-P 2ac 2n","62","compound 1","","","- C29 H17 Eu Na2 O14 S2 -","- C29 H17 Eu Na2 O14 S2 -","- C116 H68 Eu4 Na8 O56 S8 -","4","0.5","","Wang, Xia; Wang, Yanlong; Silver, Mark A.; Gui, Daxiang; Bai, Zhuanling; Wang, Yaxing; Liu, Wei; Chen, Lanhua; Diwu, Juan; Chai, Zhifang; Wang, Shuao","Superprotonic conduction through one-dimensional ordered alkali metal ion chains in a lanthanide-organic framework.","Chemical communications (Cambridge, England)","2018","54","35","4429","4432","10.1039/c8cc00572a","","","0.71073","MoKα","","0.062","0.0415","","","0.1076","0.117","","","","","","1.121","","","","has coordinates","228502","2020-10-21","18:00:00",""
"1549240","28.985","0.01","16.557","0.006","11.389","0.004","90","","90","","90","","5466","3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F281.16 Sr68.58 Zr36 -","- F280.96 Sr68.58 Zr36 -","- F280.96 Sr68.58 Zr36 -","1","0.125","","Jean-Paul Laval; Hamid Rafik; Gilles Trolliard","Microphases deriving from Ba2ZrF8 structure type: II: Crystal structure of Sr17Zr9F70 and Sr17.145Zr9F70.29","Journal of Solid State Chemistry","2018","260","","151","158","10.1016/j.jssc.2018.01.005","","","0.7107","MoKα","","0.1524","0.0618","","","0.1183","0.1522","","","","","","1.048","","","","has coordinates","207301","2020-10-21","18:00:00",""
"1549241","28.812","0.01","16.566","0.006","11.433","0.004","90","","90","","90","","5457","3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F280 Sr68 Zr36 -","- F280.632 Sr68 Zr36 -","- F280.632 Sr68 Zr36 -","1","0.125","","Jean-Paul Laval; Hamid Rafik; Gilles Trolliard","Microphases deriving from Ba2ZrF8 structure type: II: Crystal structure of Sr17Zr9F70 and Sr17.145Zr9F70.29","Journal of Solid State Chemistry","2018","260","","151","158","10.1016/j.jssc.2018.01.005","","","0.7107","MoKα","","0.1035","0.0446","","","0.043","0.0523","","","","","","1.054","","","","has coordinates","207302","2020-10-21","18:00:00",""
"1549360","12.30316","0.00018","5.69665","0.00008","7.04766","0.00011","90","","90","","90","","493.948","0.013","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","BaEr2ZnO5","","","- Ba Er2 O5 Zn -","- Ba Er2 O5 Zn -","- Ba4 Er8 O20 Zn4 -","4","0.5","","Nakamura, K.; Fujii, K.; Niwa, E.; Yashima, M.","Crystal structure and electrical conductivity of BaR2ZnO5 (R=Sm, Gd, Dy, Ho, and Er) - a new structure family of oxide-ion conductors","Journal of the Ceramic Society of Japan","2018","126","","292","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","207605","2020-10-21","18:00:00",""
"1549361","12.37206","0.00009","5.72443","0.00004","7.08598","0.00005","90","","90","","90","","501.85","0.006","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","BaDy2ZnO5","","","- Ba Dy2 O5 Zn -","- Ba Dy2 O5 Zn -","- Ba4 Dy8 O20 Zn4 -","4","0.5","","Nakamura, K.; Fujii, K.; Niwa, E.; Yashima, M.","Crystal structure and electrical conductivity of BaR2ZnO5 (R=Sm, Gd, Dy, Ho, and Er) - a new structure family of oxide-ion conductors","Journal of the Ceramic Society of Japan","2018","126","","292","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","207606","2020-10-21","18:00:00",""
"1549362","12.49739","0.00008","5.77627","0.00003","7.15961","0.00004","90","","90","","90","","516.84","0.005","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","BaGd2ZnO5","","","- Ba Gd2 O5 Zn -","- Ba Gd2 O5 Zn -","- Ba4 Gd8 O20 Zn4 -","4","0.5","","Nakamura, K.; Fujii, K.; Niwa, E.; Yashima, M.","Crystal structure and electrical conductivity of BaR2ZnO5 (R=Sm, Gd, Dy, Ho, and Er) - a new structure family of oxide-ion conductors","Journal of the Ceramic Society of Japan","2018","126","","292","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","207607","2020-10-21","18:00:00",""
"1549363","12.34773","0.00015","5.71449","0.00006","7.07449","0.00005","90","","90","","90","","499.183","0.009","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","BaHo2ZnO5","","","- Ba Ho2 O5 Zn -","- Ba Ho2 O5 Zn -","- Ba4 Ho8 O20 Zn4 -","4","0.5","","Nakamura, K.; Fujii, K.; Niwa, E.; Yashima, M.","Crystal structure and electrical conductivity of BaR2ZnO5 (R=Sm, Gd, Dy, Ho, and Er) - a new structure family of oxide-ion conductors","Journal of the Ceramic Society of Japan","2018","126","","292","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","207608","2020-10-21","18:00:00",""
"1549364","12.59242","0.00008","5.81502","0.00004","7.20736","0.00005","90","","90","","90","","527.76","0.006","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","BaSm2ZnO5","","","- Ba O5 Sm2 Zn -","- Ba O5 Sm2 Zn -","- Ba4 O20 Sm8 Zn4 -","4","0.5","","Nakamura, K.; Fujii, K.; Niwa, E.; Yashima, M.","Crystal structure and electrical conductivity of BaR2ZnO5 (R=Sm, Gd, Dy, Ho, and Er) - a new structure family of oxide-ion conductors","Journal of the Ceramic Society of Japan","2018","126","","292","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","207609","2020-10-21","18:00:00",""
"1549379","11.5645","0.0001","21.3415","0.0003","13.8095","0.0002","90","","90","","90","","3408.24","0.07","150","0.1","150","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H46 Cl2 N2 O Pd -","- C36 H46 Cl2 N2 O Pd -","- C144 H184 Cl8 N8 O4 Pd4 -","4","0.5","","Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations","Polymer Chemistry","2018","9","22","3088","","10.1039/C8PY00395E","","x-ray","0.71073","MoKα","","0.0311","0.0256","","","0.0612","0.0638","","","","","","1.058","","","","has coordinates","230952","2020-10-21","18:00:00",""
"1549477","16.6858","0.0014","20.95","0.002","9.0089","0.0009","90","","90","","90","","3149.2","0.5","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dipp-BDIAlH(Ph)","","- C35 H47 Al N2 -","- C35 H47 Al N2 -","- C140 H188 Al4 N8 -","4","0.5","","Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R.","Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity.","Chemical science","2018","9","24","5435","5440","10.1039/c8sc02072h","","x-ray","0.71073","MoKα","","0.0844","0.0479","","","0.1258","0.1371","","","","","","0.699","","","","has coordinates,has disorder","228628","2020-10-21","18:00:00",""
"1549527","13.5939","0.0005","6.4841","0.0002","9.86","0.0004","90","","90","","90","","869.1","0.05","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","guaninium dichloride","","- C2.5 H3.5 Cl N2.5 O0.5 -","- C2.5 H3.5 Cl N2.5 O0.5 -","- C20 H28 Cl8 N20 O4 -","8","1","","Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria","Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions","IUCrJ","2018","5","4","","","10.1107/S2052252518006346","","x-ray","0.71073","MoKα","","","0.0179","","","0.019","0.019","","","","","","1.05","","","","has coordinates","208221","2020-10-21","18:00:00",""
"1549628","14.2754","0.0009","6.5831","0.0004","21.5365","0.0013","90","","90","","90","","2023.9","0.2","173","2","173.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","Sodium rubidium disaccharinate dihydrate","Sodium rubidium bis(3-oxo-3<i>H</i>-1,2-benzothiazol-2-ide 1,1-dioxide) tetrahydrate","","- C14 H16 N2 Na O10 Rb S2 -","- C14 H16 N2 Na O10 Rb S2 -","- C56 H64 N8 Na4 O40 Rb4 S8 -","4","0.5","BH4037","Nazarenko, Alexander Y.","Sodium rubidium disaccharinate tetrahydrate","IUCrData","2018","3","6","x180867","","10.1107/S2414314618008672","","","0.71073","MoKα","","0.0389","0.0274","","","0.0628","0.0673","","","","","","1.052","","","","has coordinates,has Fobs","208719","2020-10-21","18:00:00",""
"1549767","12.8319","0.0007","18.8787","0.0012","9.3269","0.0005","90","","90","","90","","2259.4","0.2","180","0.1","180","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H32 P Si2 Tb -","- C20 H32 P Si2 Tb -","- C80 H128 P4 Si8 Tb4 -","4","0.5","","Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song","A soft phosphorus atom to ""harden"" an erbium(iii) single-ion magnet.","Chemical science","2018","9","38","7540","7545","10.1039/c8sc01626g","","","0.71","MoKα","","0.0638","0.0301","","","0.0465","0.0587","","","","","","1.082","","","","has coordinates","276399","2022-06-29","09:43:57",""
"1549769","12.8248","0.0007","18.9114","0.0012","9.3047","0.0004","90","","90","","90","","2256.7","0.2","180","0.1","180","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H32 Dy P Si2 -","- C20 H32 Dy P Si2 -","- C80 H128 Dy4 P4 Si8 -","4","0.5","","Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song","A soft phosphorus atom to ""harden"" an erbium(iii) single-ion magnet.","Chemical science","2018","9","38","7540","7545","10.1039/c8sc01626g","","","0.71","MoKα","","0.0709","0.0324","","","0.048","0.0612","","","","","","1.076","","","","has coordinates","276399","2022-06-29","09:44:16",""
"1549944","6.0944","0.0008","30.676","0.004","6.881","0.0009","90","","90","","90","","1286.4","0.3","120","","120","","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-fluoro-1,3-bis(4-chlorophenyl)-1,3-propanedione","","- C15 H9 Cl2 F O2 -","- C15 H9 Cl2 F O2 -","- C60 H36 Cl8 F4 O8 -","4","0.5","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0527","0.0436","","","0.0941","0.0971","","","","","","1.213","","","","has coordinates","228753","2020-10-21","18:00:00",""
"1549990","7.6514","0.0005","10.8663","0.0007","7.5886","0.0006","90","","90","","90","","630.93","0.08","","","1473","","","","","","","","","3","P n m a","-P 2ac 2n","62","Sm3TaO7 at 1473 K","","","- O7 Sm3 Ta -","- O7 Sm3 Ta -","- O28 Sm12 Ta4 -","4","0.5","","Hinatsu, Y.; Doi, Y.","Phase transitions of Sm3NbO7, (Sm1-xLnx)3NbO7 (Ln=Nd,Eu) and Sm3TaO7 with fluorite-related structure : structure at 1473 K","Journal of the Ceramic Society of Japan","2018","126","","743","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","211264","2020-10-21","18:00:00",""
"1549993","7.6451","0.0002","10.8612","0.0004","7.5613","0.0003","90","","90","","90","","627.85","0.04","","","1473","","","","","","","","","4","P n m a","-P 2ac 2n","62","(Sm0.8Eu0.2)NbO7 at 1473 K","","","- Eu0.6 Nb O7 Sm2.4 -","- Eu0.6 Nb O7 Sm2.4 -","- Eu2.4 Nb4 O28 Sm9.6 -","4","0.5","","Hinatsu, Y.; Doi, Y.","Phase transitions of Sm3NbO7, (Sm1-xLnx)3NbO7 (Ln=Nd,Eu) and Sm3TaO7 with fluorite-related structure : structure at 1473 K","Journal of the Ceramic Society of Japan","2018","126","","743","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","211267","2020-10-21","18:00:00",""
"1549994","5.443765","0.000009","7.693164","0.000009","5.452008","0.000007","90","","90","","90","","228.329","0.0005","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","Pr2/3Ba1/3CoO2.98","","","- Ba0.333 Co O2.98 Pr0.667 -","- Ba0.3333 Co O2.979 Pr0.6667 -","- Ba1.3332 Co4 O11.916 Pr2.6668 -","4","0.5","","Zhang, W.; Shiraiwa, M.; Wang, N.; Ma, T.; Fujii, K.; Niwa, E.; Yashima, M.","Pr/Ba cation-disordered perovskite Pr2/3Ba1/3CoO3-d as a new bifunctional electrocatalyst for oxygen reduction and oxygen evolution reactions","Journal of the Ceramic Society of Japan","2018","126","","814","819","","","","","","","","","","","","","","","","","","","","","","has coordinates","211271","2020-10-21","18:00:00",""
"1550370","8.2674","0.0002","11.66","0.0004","8.1483","0.0002","90","","90","","90","","785.48","0.04","122","","122","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H9 Co N O6 -","- C4 H9 Co N O6 -","- C16 H36 Co4 N4 O24 -","4","0.5","LT5013","Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan","Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound","IUCrJ","2019","6","1","105","115","10.1107/S2052252518015026","","neutron","1.4569","neutron","","0.1189","0.088","","","0.1048","0.1067","","","","6.6","6.6","4.66","","","","has coordinates","213468","2020-10-21","18:00:00",""
"1550371","8.2556","0.0002","11.6519","0.0003","8.1508","0.0003","90","","90","","90","","784.05","0.04","106","","106","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H9 Co N O6 -","- C4 H9 Co N O6 -","- C16 H36 Co4 N4 O24 -","4","0.5","LT5013","Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan","Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound","IUCrJ","2019","6","1","105","115","10.1107/S2052252518015026","","neutron","1.4569","neutron","","0.1012","0.0836","","","0.0965","0.0982","","","","5.91","5.91","4.79","","","","has coordinates","213468","2020-10-21","18:00:00",""
"1550372","8.2702","0.0003","11.6766","0.0004","8.1631","0.0006","90","","90","","90","","788.29","0.07","90","","90","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H9 Co N O6 -","- C4 H9 Co N O6 -","- C16 H36 Co4 N4 O24 -","4","0.5","LT5013","Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan","Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound","IUCrJ","2019","6","1","105","115","10.1107/S2052252518015026","","neutron","1.4569","neutron","","0.1449","0.103","","","0.1293","0.1326","","","","7.08","7.08","5.06","","","","has coordinates","213468","2020-10-21","18:00:00",""
"1550373","8.2548","0.0003","11.6547","0.0006","8.1521","0.0003","90","","90","","90","","784.29","0.06","86","","86","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H9 Co N O6 -","- C4 H9 Co N O6 -","- C16 H36 Co4 N4 O24 -","4","0.5","LT5013","Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan","Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound","IUCrJ","2019","6","1","105","115","10.1107/S2052252518015026","","neutron","1.4569","neutron","","0.1469","0.1099","","","0.1297","0.1326","","","","7.7","7.7","5.59","","","","has coordinates","213468","2020-10-21","18:00:00",""
"1550464","9.5314","","6.7696","","5.3618","","90","","90","","90","","345.964","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","AgMgVO4","","","- Ag Mg O5 V -","- Ag Mg O4 V -","- Ag4 Mg4 O16 V4 -","4","0.5","","Gake, T.; Matsushita, S.; Arai, M.; Obata, K.","Electronic structures and optical properties of CuMgVO4 and AgMgVO4: a first-principles study","Journal of the Ceramic Society of Japan","2019","127","","50","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","213015","2020-10-21","18:00:00",""
"1550511","14.0951","0.0009","5.8123","0.0004","10.0848","0.0007","90","","90","","90","","826.2","0.1","","","","","","","","","","","","9","P n m a","-P 2ac 2n","62","ZrAl2Ti4O11","","carmeltazite","- Al1.89 Ca0.05 Hf0.01 O11 Sc0.06 Si0.13 Ti3.6 Y0.02 Zr1.04 -","- Al1.95 Mg0.22 O11 Si0.13 Ti3.75 Zr0.85 -","- Al7.8 Mg0.88 O44 Si0.52 Ti15 Zr3.4 -","4","0.5","","Griffin, W.L.; Gain, S.E.M.; Bindi, L.; Toledo, V.; Camara, F.; Saunders, M.; O'Reilly, S.Y.","Carmeltazite, ZrAl2Ti4O12, a new mineral trapped in corundum from volcanic rocks of Mt Carmel, Northern Israel","Minerals","2018","8","","601","611","","","","","","","","","","","","","","","","","","","","","","has coordinates","213251","2020-10-21","18:00:00",""
"1550542","16.8696","0.0012","7.5226","0.0006","9.054","0.0006","90","","90","","90","","1148.98","0.14","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","[(1,2,5,6-η)-Cycloocta-1,5-diene]bis(thiocyanato-κ<i>S</i>)platinum(II)","","- C10 H12 N2 Pt S2 -","- C10 H12 N2 Pt S2 -","- C40 H48 N8 Pt4 S8 -","4","0.5","TK4054","Ha, Kwang","[(1,2,5,6-η)-Cycloocta-1,5-diene]bis(thiocyanato-κ<i>S</i>)platinum(II)","IUCrData","2019","4","1","x190162","","10.1107/S2414314619001627","","","0.71073","MoKα","","0.0202","0.0187","","","0.0437","0.0445","","","","","","1.105","","","","has coordinates,has Fobs","213448","2020-10-21","18:00:00",""
"1550926","27.3248","0.0015","42.161","0.003","24.16","0.0016","90","","90","","90","","27833","3","100","2","100.01","","","","","","","","","7","P n m a","-P 2ac 2n","62","","AzaEx2Cage-Pycho","","- C114 H83 Br0.5 F33 N13 O2 P5.5 -","- C114 H83 Br0.5 F33 N13 O2 P5.5 -","- C912 H664 Br4 F264 N104 O16 P44 -","8","1","","Jiao, Tianyu; Cai, Kang; Liu, Zhichang; Wu, Guangcheng; Shen, Libo; Cheng, Chuyang; Feng, Yuanning; Stern, Charlotte L.; Stoddart, J. Fraser; Li, Hao","Guest recognition enhanced by lateral interactions","Chemical Science","2019","","","","","10.1039/C9SC00591A","","","1.54178","CuKα","","0.2586","0.1608","","","0.3936","0.4438","","","","","","1.245","","","","has coordinates,has disorder","214725","2020-10-21","18:00:00",""
"1550954","16.0588","0.0004","19.8061","0.0004","10.6735","0.0002","90","","90","","90","","3394.84","0.13","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H48 N2 O4 Ru2 -","- C36 H48 N2 O4 Ru2 -","- C144 H192 N8 O16 Ru8 -","4","0.5","","Takao, Toshihiro; Kawashima, Takashi; Nagae, Ryo; Kanda, Hideyuki; Watanabe, Wataru","Diruthenium Complexes Having a Partially Hydrogenated Bipyridine Ligand: Plausible Mechanism for the Dehydrogenative Coupling of Pyridines at a Diruthenium Site","Faraday Discussions","2019","","","","","10.1039/C9FD00029A","","","0.71069","MoKα","","0.0242","0.0228","","","0.0581","0.0589","","","","","","1.08","","","","has coordinates,has disorder","214812","2020-10-21","18:00:00",""
"1551022","7.6508","0.0004","10.9308","0.0005","7.5403","0.0005","90","","90","","90","","630.59","0.06","","","600","","","","","","","","","3","P n m a","-P 2ac 2n","62","Nd3TaO7 at 600 K","","","- Nd3 O7 Ta -","- Nd3 O7 Ta -","- Nd12 O28 Ta4 -","4","0.5","","Hinatsu, Y.; Doi, Y.","Studies on phase transitions of rare earth tantalites (Sm1-xLnx)3TaO7 (Ln = Nd, Eu) with fluorite-related structure","Journal of the Ceramic Society of Japan","2019","127","","273","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","215053","2020-10-21","18:00:00",""
"1551023","7.661","0.001","10.9041","0.0012","7.5009","0.0007","90","","90","","90","","626.6","0.12","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","Nd3TaO7 orthorhombic phase","","","- Nd3 O7 Ta -","- Nd3 O7 Ta -","- Nd12 O28 Ta4 -","4","0.5","","Hinatsu, Y.; Doi, Y.","Studies on phase transitions of rare earth tantalites (Sm1-xLnx)3TaO7 (Ln = Nd, Eu) with fluorite-related structure","Journal of the Ceramic Society of Japan","2019","127","","273","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","215054","2020-10-21","18:00:00",""
"1551024","7.6425","0.0003","10.8825","0.0005","7.5571","0.0004","90","","90","","90","","628.52","0.05","","","1100","","","","","","","","","4","P n m a","-P 2ac 2n","62","(Sm0.7Eu0.3)3TaO7 at 1100 K","","","- Eu0.9 O7 Sm2.1 Ta -","- Eu0.9 O7 Sm2.1 Ta -","- Eu3.6 O28 Sm8.4 Ta4 -","4","0.5","","Hinatsu, Y.; Doi, Y.","Studies on phase transitions of rare earth tantalites (Sm1-xLnx)3TaO7 (Ln = Nd, Eu) with fluorite-related structure","Journal of the Ceramic Society of Japan","2019","127","","273","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","215055","2020-10-21","18:00:00",""
"1552017","3.5614","","5.7987","","4.4054","","90","","90","","90","","90.978","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O2 Xe -","- O2 Xe -","- O8 Xe4 -","4","0.5","","Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune","Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure","Nature Chemistry","2016","8","","784","790","10.1038/nchem.2528","","","","","","","","","","","","","","","","","","","","","has coordinates","216826","2020-10-21","18:00:00",""
"1552087","19.98","","20.43","","13.61","","90","","90","","90","","5555.48","","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","ZSM-5","Si-MFI","","- O192 Si96 -","- O192 Si96 -","- O192 Si96 -","1","0.125","FC5033","Wang, Bin; Zou, Xiaodong; Smeets, Stef","Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination","IUCrJ","2019","6","5","","","10.1107/S2052252519007681","","","0.0251","electron","","0.2603","0.2178","","","0.5024","0.5448","","","","","","1.405","","","","has coordinates","216970","2020-10-21","18:00:00",""
"1552088","20.58","","19.6","","13.74","","90","","90","","90","","5542.28","","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","ZSM-5","Si-MFI","","- O192 Si96 -","- O192 Si96 -","- O192 Si96 -","1","0.125","","Wang, Bin; Zou, Xiaodong; Smeets, Stef","Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination","IUCrJ","2019","6","5","","","10.1107/S2052252519007681","","","0.0251","electron","","0.3058","0.2385","","","0.5479","0.5875","","","","","","1.597","","","","has coordinates","216970","2020-10-21","18:00:00",""
"1552089","20.39","","20.08","","13.57","","90","","90","","90","","5555.98","","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","ZSM-5","Si-MFI","","- O192 Si96 -","- O192 Si96 -","- O192 Si96 -","1","0.125","","Wang, Bin; Zou, Xiaodong; Smeets, Stef","Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination","IUCrJ","2019","6","5","","","10.1107/S2052252519007681","","","0.0251","electron","","0.2273","0.196","","","0.446","0.4735","","","","","","1.075","","","","has coordinates","216970","2020-10-21","18:00:00",""
"1552121","18.7502","0.0003","20.6951","0.0004","8.5719","0.0002","90","","90","","90","","3326.22","0.11","150","0.1","150","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C36 H52 Mg N2 -","- C36 H52 Mg N2 -","- C144 H208 Mg4 N8 -","4","0.5","","García, Lucía; Dinoi, Chiara; Mahon, Mary F.; Laurent, Maron; Hill, Michael","Magnesium hydride alkene insertion and catalytic hydrosilylation","Chemical Science","2019","","","","","10.1039/C9SC02056J","","","1.54184","CuKα","","0.0598","0.0466","","","0.1164","0.1232","","","","","","1.053","","","","has coordinates,has disorder","217204","2020-10-21","18:00:00",""
"1553781","5.0951","0.0004","6.0539","0.0006","14.8931","0.0015","90","","90","","90","","459.38","0.07","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N-Methylcarbamoyl","","","- C2 H4 N4 O -","- C2 H4 N4 O -","- C8 H16 N16 O4 -","4","0.5","","Wan, Huabin; Li, Hongmin; Xu, Jian; Wu, Zhuang; Liu, Qifan; Chu, Xianxu; Abe, Manabu; Bégué, Didier; Zeng, Xiaoqing","N-Methylcarbamoyl azide: spectroscopy, X-ray structure and decomposition via methylcarbamoyl nitrene","Organic Chemistry Frontiers","2017","4","9","1839","","10.1039/C7QO00277G","","","0.71073","MoKα","","0.0512","0.0451","","","0.1313","0.1346","","","","","","2.174","","","","has coordinates","236023","2020-10-21","18:00:00",""
"1553954","12.594","0.005","7.353","0.003","15.175","0.006","90","","90","","90","","1405.3","1","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H11 Br S3 Si -","- C11 H11 Br S3 Si -","- C44 H44 Br4 S12 Si4 -","4","0.5","","Liu, Xinming; Sun, Huiliang; Xu, Wan; Wan, Shisheng; Shi, Jianwu; Li, Chunli; Wang, Hua","Syntheses and structures of [7]helicene and double helicene based on dithieno[2,3-b:2′,3′-d]thiophene","Organic Chemistry Frontiers","2018","5","8","1257","","10.1039/C7QO01049D","","","0.71073","MoKα","","0.0414","0.0314","","","0.0795","0.0832","","","","","","1.018","","","","has coordinates","236200","2020-10-21","18:00:00",""
"1554025","15.8119","0.0012","7.3074","0.0004","11.4308","0.0005","90","","90","","90","","1320.76","0.14","294","2","294","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H11 F3 I N -","- C12 H11 F3 I N -","- C48 H44 F12 I4 N4 -","4","0.5","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","0.71073","MoKα","","0.0473","0.034","","","0.0801","0.087","","","","","","1.032","","","","has coordinates","236451","2020-10-21","18:00:00",""
"1554055","9.5125","0.0006","21.8997","0.0013","8.5903","0.0006","90","","90","","90","","1789.5","0.2","110","2","110","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(DEC)2:LiPF6","","","- C5 H10 F3 Li0.5 O3 P0.5 -","- C5 H10 F3 Li0.5 O3 P0.5 -","- C40 H80 F24 Li4 O24 P4 -","8","1","","Han, Sang-Don; Yun, Sung-Hyun; Borodin, Oleg; Seo, Daniel M.; Sommer, Roger D.; Young, Victor G.; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of LiPF6 Electrolytes","The Journal of Physical Chemistry C","2015","119","16","8492","","10.1021/acs.jpcc.5b00826","","","0.71073","MoKα","","0.1045","0.0826","","","0.2273","0.2381","","","","","","1.19","","","","has coordinates","236506","2020-10-21","18:00:00",""
"1554063","21.9816","0.0016","18.0739","0.0014","5.8075","0.0004","90","","90","","90","","2307.3","0.3","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C21 H16 F4 I2 N O P -","- C21 H17 F4 I2 N O P -","- C84 H68 F16 I8 N4 O4 P4 -","4","0.5","","Xu, Yijue; Viger-Gravel, Jasmine; Korobkov, Ilia; Bryce, David L.","Mechanochemical Production of Halogen-Bonded Solids Featuring P═O···I‒C Motifs and Characterization via X-ray Diffraction, Solid-State Multinuclear Magnetic Resonance, and Density Functional Theory","The Journal of Physical Chemistry C","2015","119","48","27104","","10.1021/acs.jpcc.5b09737","","","0.71073","MoKα","","0.0192","0.0182","","","0.0492","0.0497","","","","","","1.022","","","","has coordinates","236520","2020-10-21","18:00:00",""
"1554102","9.0071","0.0016","15.226","0.003","15.753","0.003","90","","90","","90","","2160.4","0.7","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","0.5","","Ivanova, Lena V.; Wang, Denan; Lindeman, Sergey; Ivanov, Maxim V.; Rathore, Rajendra","Probing Charge Delocalization in Solid State Polychromophoric Cation Radicals Using X-ray Crystallography and DFT Calculations","The Journal of Physical Chemistry C","2018","122","17","9339","","10.1021/acs.jpcc.8b02184","","","0.71073","MoKα","","0.0841","0.0521","","","0.1361","0.1559","","","","","","1.005","","","","has coordinates","236575","2020-10-21","18:00:00",""
"1554233","7.297","0.004","6.045","0.003","8.354","0.004","90","","90","","90","","368.5","0.3","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C3 H3 N O2 -","- C3 H3 N O2 -","- C12 H12 N4 O8 -","4","0.5","","Fang, Manman; Yang, Jie; Xiang, Xueqin; Xie, Yujun; Dong, Yongqiang; Peng, Qian; Li, Qianqian; Li, Zhen","Unexpected room-temperature phosphorescence from a non-aromatic, low molecular weight, pure organic molecule through the intermolecular hydrogen bond","Materials Chemistry Frontiers","2018","2","11","2124","","10.1039/C8QM00396C","","","0.71073","MoKα","","0.0373","0.0327","","","0.0955","0.1017","","","","","","1.161","","","","has coordinates","237044","2020-10-21","18:00:00",""
"1554307","18.5573","0.001","18.3335","0.0013","14.8419","0.001","90","","90","","90","","5049.5","0.6","180","0.1","180","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C38 H7 Br2 F10 N5 O3 -","- C38 H7 Br2 F10 N5 O3 -","- C152 H28 Br8 F40 N20 O12 -","4","0.5","","Wang, Jun-Fei; Yao, Yuhang; Ning, Yingying; Meng, Yin-Shan; Hou, Chun-Liang; Zhang, Jing; Zhang, Jun-Long","The design of rigid cyclic tripyrrins: the importance of intermolecular interactions on aggregation and luminescence","Organic Chemistry Frontiers","2018","5","12","1877","","10.1039/C8QO00313K","","x-ray","0.71073","MoKα","","0.0938","0.0702","","","0.1845","0.2056","","","","","","1.065","","","","has coordinates,has disorder","237111","2020-10-21","18:00:00",""
"1554623","11.8","0.004","15.608","0.006","18.603","0.007","90","","90","","90","","3426","2","298","2","298","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C26 H41 F12 Fe N P2 Ru S3 -","- C26 H41 F12 Fe N P2 Ru S3 -","- C104 H164 F48 Fe4 N4 P8 Ru4 S12 -","4","0.5","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0784","0.0712","","","0.2214","0.231","","","","","","1.079","","","","has coordinates,has disorder","237875","2020-10-21","18:00:00",""
"1555164","11.6812","0.0011","6.6839","0.001","13.6312","0.001","90","","90","","90","","1064.3","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H6 Cl2 O S -","- C11 H6 Cl2 O S -","- C44 H24 Cl8 O4 S4 -","4","0.5","","Wang, Ting; An, Zhenyu; Qi, Zhenjie; Zhuang, Daijiao; Chang, Aosheng; Yang, Yunxia; Yan, Rulong","Ring-opening/annulation reaction of cyclopropyl ethanols: concise access to thiophene aldehydes via C‒S bond formation","Organic Chemistry Frontiers","2019","6","21","3705","","10.1039/C9QO01014A","","","0.71073","MoKα","","0.0773","0.0459","","","0.1039","0.1271","","","","","","1.053","","","","has coordinates","238360","2020-10-21","18:00:00",""
"1555318","7.88163","0.00018","16.2823","0.0004","15.3253","0.0003","90","","90","","90","","1966.71","0.08","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H21 As O2 -","- C24 H21 As O2 -","- C96 H84 As4 O8 -","4","0.5","","Ishidoshiro, Makoto; Matsumura, Yoshimasa; Imoto, Hiroaki; Irie, Yasuyuki; Kato, Takuji; Watase, Seiji; Matsukawa, Kimihiro; Inagi, Shinsuke; Tomita, Ikuyoshi; Naka, Kensuke","Practical Synthesis and Properties of 2,5-Diarylarsoles.","Organic letters","2015","17","19","4854","4857","10.1021/acs.orglett.5b02416","","","0.71075","MoKα","","","0.0306","","","","0.0934","","","","","","1.009","","","","has coordinates","238470","2020-10-21","18:00:00",""
"1555356","35.112","0.002","12.3662","0.0005","19.6459","0.001","90","","90","","90","","8530.3","0.7","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","ZWX","","","- C98 H156 Cd4 Cl14 Lu2 N56 O62 -","- C98 H98 Cd4 Cl14 Lu2 N56 O37 -","- C196 H196 Cd8 Cl28 Lu4 N112 O74 -","2","0.25","","Zhao, Wen-Xuan; Wang, Chuan-Zeng; Chen, Li-Xia; Cong, Hang; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Huang, Ying; Tao, Zhu; Zhu, Qian-Jiang","A Hemimethyl-Substituted Cucurbit[7]uril Derived from 3α-Methyl-glycoluril.","Organic letters","2015","17","20","5072","5075","10.1021/acs.orglett.5b02588","","","1.54184","CuKα","","0.1815","0.1322","","","0.3694","0.4214","","","","","","1.015","","","","has coordinates,has disorder","238543","2020-10-21","18:00:00",""
"1555392","16.4441","0.0003","19.3772","0.0003","19.7044","0.0003","90","","90","","90","","6278.62","0.18","133","2","133","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C54.5 H73 Cl5 I2 N8 -","- C54.5 H73 Cl5 I2 N8 -","- C218 H292 Cl20 I8 N32 -","4","0.5","","Tepper, Ronny; Schulze, Benjamin; Görls, Helmar; Bellstedt, Peter; Jäger, Michael; Schubert, Ulrich S.","Preorganization in a Cleft-Type Anion Receptor Featuring Iodo-1,2,3-Triazoles As Halogen Bond Donors.","Organic letters","2015","17","23","5740","5743","10.1021/acs.orglett.5b02760","","","0.71073","MoKα","","0.089","0.0711","","","0.1608","0.1697","","","","","","1.153","","","","has coordinates,has disorder","238603","2020-10-21","18:00:00",""
"1555428","6.9371","0.0004","9.8082","0.0006","22.3442","0.0012","90","","90","","90","","1520.31","0.15","171.5","","171.5","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H12 Cl2 O S2 -","- C15 H12 Cl2 O S2 -","- C60 H48 Cl8 O4 S8 -","4","0.5","","Huang, Xin; Wang, Jichao; Ni, Zhangqin; Wang, Sichang; Pan, Yuanjiang","Synthesis of α,α-Disulfenylated Aldehydes via Oxidative Transformation of Tertiary Amines.","Organic letters","2015","17","21","5488","5491","10.1021/acs.orglett.5b02876","","","0.71073","MoKα","","0.0339","0.029","","","0.0747","0.0778","","","","","","1.095","","","","has coordinates,has disorder","238656","2020-10-21","18:00:00",""
"1556085","6.6807","0.0002","19.9408","0.0007","14.2683","0.0004","90","","90","","90","","1900.8","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H17 N O4 S -","- C22 H17 N O4 S -","- C88 H68 N4 O16 S4 -","4","0.5","","Wang, Yunsheng; Yang, Jie; Tian, Yu; Fang, Manman; Liao, Qiuyan; Wang, Liwei; Hu, Wenping; Tang, Ben Zhong; Li, Zhen","Persistent organic room temperature phosphorescence: what is the role of molecular dimers?","Chemical Science","2020","11","3","833","838","10.1039/C9SC04632A","","x-ray","1.54184","CuKα","","0.0521","0.0489","","","0.1293","0.1328","","","","","","1.074","","","","has coordinates","257427","2020-10-21","18:00:00",""
"1556232","21.3553","0.0008","6.084","0.0002","6.1592","0.0002","90","","90","","90","","800.24","0.05","183","2","183","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","0.5","","Klopfleisch, Maurice; Seidel, Raphael A.; Görls, Helmar; Richter, Hannes; Beckert, Rainer; Imhof, Wolfgang; Reiher, Markus; Pohnert, Georg; Westerhausen, Matthias","Total synthesis and detection of the bilirubin oxidation product (Z)-2-(3-ethenyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)ethanamide (Z-BOX A).","Organic letters","2013","15","17","4608","4611","10.1021/ol402221b","","","0.71073","MoKα","","0.0442","0.0341","","","0.0882","0.0948","","","","","","1.07","","","","has coordinates","243582","2020-10-21","18:00:00",""
"1556235","8.5127","0.0006","23.5267","0.0013","9.6294","0.0005","90","","90","","90","","1928.5","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C22 H28 O4 -","- C22 H28 O4 -","- C88 H112 O16 -","4","0.5","","Barbero, Asunción; Diez-Varga, Alberto; Pulido, Francisco J.","Multicomponent prins cyclization from allylsilyl alcohols leading to dioxaspirodecanes.","Organic letters","2013","15","20","5234","5237","10.1021/ol402425u","","","1.54184","CuKα","","0.0721","0.0562","","","0.1767","0.1965","","","","","","1.07","","","","has coordinates,has disorder","243583","2020-10-21","18:00:00",""
"1556370","19.168","0.013","6.189","0.005","8.461","0.005","90","","90","","90","","1003.7","1.2","93","","93","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H9 N O3 -","- C11 H9 N O3 -","- C44 H36 N4 O12 -","4","0.5","","McBurney, Roy T.; Harper, Andrew D.; Slawin, Alexandra M. Z.; Walton, John C.","An all-purpose preparation of oxime carbonates and resultant insights into the chemistry of alkoxycarbonyloxyl radicals","Chemical Science","2012","3","12","3436","","10.1039/c2sc21298f","","","0.71075","MoKα","","","0.1057","","","","0.2968","","","","","","1.134","","","","has coordinates","244383","2020-10-21","18:00:00",""
"1556544","7.56183","0.00016","6.59134","0.00014","7.23629","0.00014","90","","90","","90","","360.675","0.013","100","","100","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","?Propionitrile?","- C3 H5 N -","- C3 H5 N -","- C12 H20 N4 -","4","0.5","","Brand, Helen E. A.; Gu, Qinfen; Kimpton, Justin A.; Auchettl, Rebecca; Ennis, Courtney","Crystal structure of propionitrile (CH~3~CH~2~CN) determined using synchrotron powder X-ray diffraction","Journal of Synchrotron Radiation","2020","27","1","212","216","10.1107/S1600577519015911","powder diffraction","x-ray","0.99998","synchrotron","","0.0151","","","","","","","","2.658","","","","","","","has coordinates","247892","2020-10-21","18:00:00",""
"1556681","12.5192","0.0009","24.7373","0.0018","11.2498","0.0008","90","","90","","90","","3484","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C46 H32 N2 O4 Zn -","- C45.844 H31.922 N2 O3.844 Zn -","- C183.376 H127.688 N8 O15.376 Zn4 -","4","0.5","","Lucenti, E.; Forni, A.; Marinotto, D.; Previtali, A.; Righetto, S.; Cariati, E.","Tuning the Linear and Nonlinear Optical Properties of Pyrene-Pyridine Chromophores by Protonation and Complexation to d10 Metal Centers","Inorganics","2019","7","","38","","10.3390/inorganics7030038","","","0.71073","MoKα","","0.0688","0.0517","","","0.1475","0.1629","","","","","","1.022","","","","has coordinates,has disorder","245425","2020-10-21","18:00:00",""
"1557070","28.008","0.005","6.738","0.003","7.291","0.002","90","","90","","90","","1375.9","0.8","","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","N(6),N(6)-Dimethyladeninium trichloroacetate","","","- C9 H10 Cl3 N5 O2 -","- C9 Cl3 N5 O2 -","- C36 Cl12 N20 O8 -","4","0.5","","Dahl, Tor; Rasmussen, Inge","Crystal Structures of N(6),N(6)-Dimethyladeninium Trichloroacetate and N(6)-Methyladeninium Dinitrate.","Acta Chemica Scandinavica","1997","51","","19","23","10.3891/acta.chem.scand.51-0019","","x-ray","1.5418","CuKα","","","0.068","","","0.069","","","","","","","","","","","has coordinates","247015","2020-10-21","18:00:00",""
"1557179","12.2137","0.002","7.5304","0.0014","9.9293","0.0016","90","","90","","90","","913.2","0.3","","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Al Br4 Cs -","- Al Br4 Cs -","- Al4 Br16 Cs4 -","4","0.5","","Berg, Rolf Willestofte","The CsBr-AlBr3 Phase Diagram and the Crystal Structure of CsAlBr4","Acta Chemica Scandinavica","1997","51","","455","461","10.3891/acta.chem.scand.51-0455","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.0458","0.0419","","","","","","","","has coordinates","247342","2020-10-21","18:00:00",""
"1557460","10.953","0.003","5.152","0.001","6.426","0.001","90","","90","","90","","362.62","0.13","","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O5 S Ti -","- O5 S Ti -","- O20 S4 Ti4 -","4","0.5","","Ahmed, M. A. K.; Fjellvag, H.; Kjekshus, A.","Syntheses and Crystal Structures of Titanium Oxide Sulfates","Acta Chemica Scandinavica","1996","50","","275","283","10.3891/acta.chem.scand.50-0275","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","","","","","1.72","","","","has coordinates","248759","2020-10-21","18:00:00",""
"1557461","9.828","0.001","5.134","0.001","8.613","0.001","90","","90","","90","","434.59","0.11","","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H2 O6 S Ti -","- O6 S Ti -","- O24 S4 Ti4 -","4","0.5","","Ahmed, M. A. K.; Fjellvag, H.; Kjekshus, A.","Syntheses and Crystal Structures of Titanium Oxide Sulfates","Acta Chemica Scandinavica","1996","50","","275","283","10.3891/acta.chem.scand.50-0275","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","","","","","2.41","","","","has coordinates","248760","2020-10-21","18:00:00",""
"1557513","8.613","0.0019","17.7","0.008","9.511","0.002","90","","90","","90","","1450","0.8","173","0.1","173","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H21 N2 O0.1 P -","- C16 H21 N2 O0.1 P -","- C64 H84 N8 O0.4 P4 -","4","0.5","","Zhang, Jingjing; Yang, Jin-Dong; Cheng, Jin-Pei","Diazaphosphinanes as hydride, hydrogen atom, proton or electron donors under transition-metal-free conditions: thermodynamics, kinetics, and synthetic applications","Chemical Science","2020","11","14","3672","3679","10.1039/C9SC05883D","","x-ray","1.54184","CuKα","","0.1359","0.1192","","","0.3078","0.3238","","","","","","1.152","","","","has coordinates,has disorder","257354","2020-10-21","18:00:00",""
"1557742","5.8207","0.0003","11.2873","0.0005","6.3126","0.0004","90","","90","","90","","414.74","0.04","298","1","298","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 H0.064 D0.936 O5 Sb -","- C2 H0.064 D0.936 O5 Sb -","- C8 H0.256 D3.744 O20 Sb4 -","4","0.5","","Kohlmann, Holger; Rauchmaul, Anne; Keilholz, Simon; Franz, Alexandra","Crystal Structure and Thermal Behavior of SbC2O4OH and SbC2O4OD","Inorganics","2020","8","3","21","","10.3390/inorganics8030021","powder diffraction","","1.79725","ConstantWavelengthNeutronDiffraction","","","","","","","","","6.1932","1.99","","","","","","","has coordinates","250385","2020-10-21","18:00:00",""
"1557831","11.866","0.003","11.883","0.003","6.3933","0.0015","90","","90","","90","","901.5","0.4","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C32 H32 N16 O16 -","8","1","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.71073","MoKα","","0.086","0.0448","","","0.0951","0.1108","","","","","","1.041","","","","has coordinates","257293","2020-10-21","18:00:00",""
"1557918","17.583","0.004","8.664","0.003","11.707","0.003","90","","90","","90","","1783.4","0.9","","","120","","","","","","","","","6","P n m a","-P 2ac 2n","62","1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane Dibromide Perchlorate","","","- C11 H27 Br2 Cl N4 O4 -","- C11 Br2 Cl N4 O4 -","- C44 Br8 Cl4 N16 O16 -","4","0.5","","Springborg, Johan; Kofod, Pauli; Olsen, Carl Erik; Toftlund, Hans; Sotofte, Inger","Synthesis and Crystal Structure of a Small Bicyclic Tetraaza Proton Sponge, 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane Dibromide Perchlorate.","Acta Chemica Scandinavica","1995","49","","547","554","10.3891/acta.chem.scand.49-0547","","x-ray","0.71073","MoKα","","","0.0471","","","","0.0803","","","","","","1.03","","","","has coordinates","251186","2020-10-21","18:00:00",""
"1557964","10.653","0.0004","18.4781","0.0013","5.05845","0.00015","90","","90","","90","","995.74","0.08","","","298","","","","100","","","","","8","P n m a","-P 2ac 2n","62","(Mn0.99Ca0.02)(Zn1.82Fe0.12Mg0.07)(PO4)2(H1.96O)4","","nizamoffite","- Ca0.02 Fe0.12 H7.84 Mg0.07 Mn0.99 O12 P2 Zn1.82 -","- Al0.008 Ca0.004 Fe0.114 H8 Mg0.063 Mn0.973 O12 P2 Zn1.796 -","- Al0.032 Ca0.016 Fe0.456 H32 Mg0.252 Mn3.892 O48 P8 Zn7.184 -","4","0.5","","Kampf, A.R.; Falster, A.U.; Simmons, W.B.; Whitmore, R.W.","Nizamoffite, Mn2+Zn2(PO4)2(H2O)4, the Mn analogue of hopeite from the Palermo No. 1 pegmatite, North Groton, New Hampshire","American Mineralogist","2013","98","","1893","1898","10.2138/am.2013.4491","","","","","","","","","","","","","","","","","","","","","has coordinates","251330","2020-10-21","18:00:00",""
"1557982","11.345","0.005","26.057","0.002","4.057","0.002","90","","90","","90","","1199.3","0.8","","","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","4-Methy1-3,5-dipheny1-4H-1,2,4-triazole","","","- C15 H13 N3 -","- C15 N3 -","- C60 N12 -","4","0.5","","Carlsen, Per H. J.; Jorgensen, Kare B.; Gautun, Odd Reidar; Jagner, Susan; Hakansson, Mikael","Transition States in the Crystalline Phase? Thermal Rearrangements of Solid 4H-1,2,4-Triazoles","Acta Chemica Scandinavica","1995","49","","676","682","10.3891/acta.chem.scand.49-0676","","x-ray","0.71069","MoKα","","","0.037","","","0.041","","","","","","","","","","","has coordinates","251362","2020-10-21","18:00:00",""
"1557985","7.376","0.003","6.269","0.003","7.082","0.003","90","","90","","90","","327.5","0.2","","","292","","","","","","","","","3","P n m a","-P 2ac 2n","62","beta-VOSO4","","","- O5 S V -","- O5 S V -","- O20 S4 V4 -","4","0.5","","Boghosian, Soghomon; Eriksen, Kim Michael; Fehrmann, Rasmus; Nielsen, Kurt","Synthesis, Crystal Structure Redetermination and Vibrational Spectra of beta-VOSO4","Acta Chemica Scandinavica","1995","49","","703","708","10.3891/acta.chem.scand.49-0703","","x-ray","0.71069","MoKα","","","0.0181","","","0.0412","","","","","","","","","","","has coordinates","251393","2020-10-21","18:00:00",""
"1558034","13.344","0.003","21.257","0.005","14.059","0.003","90","","90","","90","","3987.9","1.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Zinc Diesterporphyrin","ZnDEsC","","- C45 H38 N5 O5 Zn -","- C45 H28 N5 O5 Zn -","- C180 H112 N20 O20 Zn4 -","4","0.5","","Amanullah, Sk; Dey, Abhishek","The role of porphyrin peripheral substituents in determining the reactivities of ferrous nitrosyl species.","Chemical science","2020","11","23","5909","5921","10.1039/d0sc01625j","","","0.71073","MoKα","","0.0309","0.0281","","","0.0906","0.0922","","","","","","1.158","","","","has coordinates","256048","2020-10-21","18:00:00",""
"1558312","21.0905","0.0005","18.983","0.0006","8.7486","0.0003","90","","90","","90","","3502.6","0.18","250","2","250","2","","","","","","","","5","P n m a","-P 2ac 2n","62","JL376-26_250K","","","- C46 H33 B F2 N2 -","- C46 H33 B F2 N2 -","- C184 H132 B4 F8 N8 -","4","0.5","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.0808","0.0421","","","0.1233","0.178","","","","","","1.056","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558423","10.2444","0.0002","17.0576","0.0003","9.5358","0.0001","90","","90","","90","","1666.33","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H6 F9 Sb -","- C18 H6 F9 Sb -","- C72 H24 F36 Sb4 -","4","0.5","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0212","0.0191","","","0.0486","0.0495","","","","","","1.053","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558427","7.8468","0.0006","23.408","0.002","11.3681","0.0009","90","","90","","90","","2088.1","0.3","292.2","0.5","292.2","0.5","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C34 H18 -","- C34 H18 -","- C136 H72 -","4","0.5","","Zhou, Fulin; Zhou, Fujian; Su, Rongchuan; Yang, Yudong; You, Jingsong","Build-Up of Double Carbohelicenes Using Nitroarenes: Dual Role of the Nitro Functionality as Activation and Leaving Group","Chemical Science","2020","","","","","10.1039/D0SC02058C","","x-ray","1.54184","CuKα","","0.092","0.082","","","0.2225","0.23","","","","","","1.144","","","","has coordinates","253463","2020-10-21","18:00:00",""
"1558586","16.087","0.003","25.358","0.005","21.354","0.004","90","0.03","90","0.03","90","0.03","8711","3","150","2","149.98","","","","","","","","","4","P n m a","-P 2ac 2n","62","","tubular[4,8]arene","","- C53 H41.5 N4.5 O4 -","- C53 H41.5 N4.5 O4 -","- C424 H332 N36 O32 -","8","1","","Mirzaei, Saber; Castro, Edison; Hernández Sánchez, Raúl","Tubularenes","Chemical Science","2020","","","","","10.1039/D0SC03384G","","","1.54184","CuKα","","0.1829","0.0786","","","0.1911","0.2527","","","","","","0.957","","","","has coordinates,has disorder","254294","2020-10-21","18:00:00",""
"1558641","16.6384","0.0004","21.0131","0.0006","9.0227","0.0002","90","","90","","90","","3154.56","0.14","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C35 H46 Al F N2 -","- C35 H46 Al F N2 -","- C140 H184 Al4 F4 N8 -","4","0.5","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","1.54184","CuKα","","0.0703","0.0458","","","0.1072","0.1248","","","","","","1.04","","","","has coordinates,has disorder","254450","2020-10-21","18:00:00",""
"1558642","16.641","0.0008","21.2084","0.0007","8.9762","0.0004","90","","90","","90","","3168","0.2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C35 H45 Al F2 N2 -","- C35 H45 Al F2 N2 -","- C140 H180 Al4 F8 N8 -","4","0.5","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","0.71073","MoKα","","0.0643","0.0482","","","0.1085","0.1179","","","","","","1.059","","","","has coordinates,has disorder","254450","2020-10-21","18:00:00",""
"1558645","14.5388","0.0005","20.1047","0.0006","8.9393","0.0003","90","","90","","90","","2612.94","0.15","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H33.25 Al F1.75 N2 -","- C29 H33 Al F1.75 N2 -","- C116 H132 Al4 F7 N8 -","4","0.5","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","1.54184","CuKα","","0.0727","0.0549","","","0.1368","0.1609","","","","","","1.034","","","","has coordinates,has disorder","254450","2020-10-21","18:00:00",""
"1558647","14.522","0.0004","20.1046","0.0008","8.9481","0.0003","90","","90","","90","","2612.48","0.15","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H33.25 Al F1.75 N2 -","- C29 H33 Al F1.75 N2 -","- C116 H132 Al4 F7 N8 -","4","0.5","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","1.54184","CuKα","","0.0667","0.0491","","","0.1245","0.1419","","","","","","1.028","","","","has coordinates,has disorder","254450","2020-10-21","18:00:00",""
"1558783","12.143","0.0005","7.3397","0.0003","9.2655","0.0005","90","","90","","90","","825.8","0.07","143","2","143","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Fluoromethyl)trimethylphosphonium iodide","","- C4 H11 F I P -","- C4 H11 F I P -","- C16 H44 F4 I4 P4 -","4","0.5","","Reichel, Marco; Unger, Cornelia; Dubovnik, Sviatlana; Roidl, Andreas; Kornath, Andreas; Karaghiosoff, Konstantin","Synthesis, structural and toxicological investigations of quarternary phosphonium salts containing the P-bonded bioisosteric CH2F moiety","New Journal of Chemistry","2020","44","33","14306","14315","10.1039/D0NJ02310H","","","0.71073","MoKα","","0.0313","0.0223","","","0.046","0.0504","","","","","","1.102","","","","has coordinates,has disorder","257700","2020-10-21","18:00:00",""
"1559150","14.2723","0.001","7.3843","0.0005","15.9189","0.0012","90","","90","","90","","1677.7","0.2","260","0.1","260","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 Fe N10 Pd -","- C12 H10 Fe N10 Pd -","- C48 H40 Fe4 N40 Pd4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.13","0.0902","","","0.2291","0.2483","","","","","","1.176","","","","has coordinates","256637","2020-10-21","18:00:00",""
"1559151","14.1549","0.0007","7.1808","0.0004","15.6363","0.0008","90","","90","","90","","1589.33","0.14","119.9","0.14","119.9","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 Fe N10 Pd -","- C12 H10 Fe N10 Pd -","- C48 H40 Fe4 N40 Pd4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.0959","0.0644","","","0.1465","0.1613","","","","","","1.117","","","","has coordinates","256637","2020-10-21","18:00:00",""
"1559157","14.5857","0.0006","7.365","0.0004","15.9543","0.0008","90","","90","","90","","1713.87","0.14","260","2","259.97","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 Fe N10 Pt -","- C12 H10 Fe N10 Pt -","- C48 H40 Fe4 N40 Pt4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","","0.71073","MoKα","","0.0854","0.052","","","0.1297","0.1557","","","","","","1.19","","","","has coordinates","256637","2020-10-21","18:00:00",""
"1559161","14.1282","0.0006","7.1968","0.0003","15.746","0.0007","90","","90","","90","","1601.02","0.12","120","1","120","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 Fe N10 Pt -","- C12 H10 Fe N10 Pt -","- C48 H40 Fe4 N40 Pt4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","","0.71073","MoKα","","0.0708","0.047","","","0.1059","0.1169","","","","","","1.124","","","","has coordinates","256637","2020-10-21","18:00:00",""
"1559438","8.8051","0.0004","14.4941","0.0007","5.2206","0.0002","90","","90","","90","","666.26","0.05","123","2","123","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N-ethyl-N-nitroglycine","N-ethyl-N-nitroglycine","","- C4 H6 N2 O6 -","- C4 H6 N2 O6 -","- C16 H24 N8 O24 -","4","0.5","","Unger, Cornelia C.; Holler, Marcel; Krumm, Burkhard; Klapötke, Thomas M.","Oxygen-Rich Bis(trinitroethyl esters): Suitable Oxidizers as Potential Ammonium Perchlorate Replacements","Energy & Fuels","2020","","","","","10.1021/acs.energyfuels.0c02910","","x-ray","0.71073","MoKα","","0.0366","0.0297","","","0.0744","0.079","","","","","","1.076","","","","has coordinates","258666","2020-10-31","23:31:06",""
"1559492","4.543","0.0004","6.9544","0.0007","11.973","0.001","90","","90","","90","","378.27","0.06","","","298","","","","","","","","","2","P n m a","-P 2ac 2n","62","Mn7C3","","","- C3 Mn7 -","- C3 Mn7 -","- C12 Mn28 -","4","0.5","","Karen, P.; Fjellvag, H.; Kjekshus, A.; Andresen, A. F.","On the Phase Relations and Structural and Magnetic Properties of the Stable Manganese Carbides Mn23C6, Mn5C2 and Mn7C3","Acta Chemica Scandinavica","1991","45","","549","557","10.3891/acta.chem.scand.45-0549","powder diffraction","neutron","1.877","","","","","","","","","","0.1","","","","","","","","has coordinates","259060","2020-11-10","09:28:09",""
"1559551","9.739","0.003","25.869","0.005","10.942","0.002","90","","90","","90","","2756.7","1.1","","","173","","","","","","","","","5","P n m a","-P 2ac 2n","62","tetraethylammonium bis(2,2,3,3-tetramethyl-2,5-pyrrolidinedionato)bromate(1-) [N(C2H5)4][Br(C8H12NO2)2]","","","- C24 H44 Br N3 O4 -","- C24 Br N3 O4 -","- C96 Br4 N12 O16 -","4","0.5","","Elding, M.; Albertsson, J.; Svensson, G.; Eberson, L.","Organic 'Hypervalent' Bromine Compounds: the Structure of a Linear N-Bromotetramethylsuccinimide-Tetramethylsuccinimidate Complex in the Solid State","Acta Chemica Scandinavica","1990","44","","135","138","10.3891/acta.chem.scand.44-0135","","x-ray","0.71069","MoKα","","","0.045","","","0.069","","","","","","","1.262","","","","has coordinates","259248","2020-11-25","09:22:15",""
"1559854","8.245","0.0004","19.3287","0.001","18.0484","0.0009","90","","90","","90","","2876.3","0.2","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H29 B2 F Fe N9 -","- C31 H29 B2 F Fe N9 -","- C124 H116 B8 F4 Fe4 N36 -","4","0.5","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","0.71073","MoKα","","0.0657","0.0432","","","0.1125","0.1285","","","","","","1.073","","","","has coordinates","267085","2021-07-05","16:54:38",""
"1560005","14.2921","0.0008","13.7871","0.0007","18.9179","0.001","90","","90","","90","","3727.7","0.3","100","","100","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C29 H49 Au Cl4 N3 P3 Ti -","- C29 H49 Au Cl4 N3 P3 Ti -","- C116 H196 Au4 Cl16 N12 P12 Ti4 -","4","0.5","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0293","0.0249","","","0.0497","0.0528","","","","","","1.235","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560256","13.8141","0.0003","4.1649","0.0001","11.4008","0.0002","90","","90","","90","","655.94","0.02","","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","TlNdAg2S3","","","- Ag2 Nd S3 Tl -","- Ag2 Nd S3 Tl -","- Ag8 Nd4 S12 Tl4 -","4","0.5","","Abdeljalil Assoud; Yixuan Shi; Quansheng Guo; Holger Kleinke","Crystal and electronic structure of the new quaternary sulfides TlLnAg2S3 (Ln = Nd, Sm and Gd)","Journal of Solid State Chemistry","2017","256","","6","9","10.1016/j.jssc.2017.08.028","","x-ray","0.71073","MoKα","","","0.021","","","0.045","","","","","","","1.07","","","","has coordinates","261391","2021-02-03","09:49:54",""
"1560271","15.052","0.003","20.449","0.004","14.7","0.003","90","","90","","90","","4524.6","1.6","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C41 H56 Cl2 Mn2 N8 O12 -","- C41 H57 Cl2 Mn2 N8 O12 -","- C164 H228 Cl8 Mn8 N32 O48 -","4","0.5","","MIKURIYA, Masahiro; ONO, Sayuri; KOYAMA, Yoshiki; MITSUHASHI, Ryoji; TSUBOI, Motohiro","Crystal Structure of a μ-Phenolato-μ-oxido-bridged Dinuclear Manganese(III) Complex with Dinucleating Schiff-base Ligand Having Three Phenolate Groups","X-ray Structure Analysis Online","2021","37","0","3","5","10.2116/xraystruct.37.3","","","0.71073","MoKα","","0.1455","0.0713","","","0.1459","0.17","","","","","","0.953","","","","has coordinates","261772","2021-02-04","23:33:56",""
"1560345","12.73","0.03","24.65","0.05","9.24","0.02","90","","90","","90","","2899","11","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba6 Pb Se13 Sn3 -","- Ba6 Pb Se13 Sn3 -","- Ba24 Pb4 Se52 Sn12 -","4","0.5","","Abudurusuli, Ailijiang; Ding, Hanqin; Wu, Kui","Synthesis and characterization of two lead-containing metal chalcogenides: Ba5Pb2Sn3S13 and Ba6PbSn3Se13","Journal of Solid State Chemistry","2017","255","","133","138","10.1016/j.jssc.2017.08.019","","","0.71073","MoKα","","0.1002","0.0539","","","0.1098","0.1241","","","","","","0.977","","","","has coordinates","261899","2021-02-11","17:33:37",""
"1560346","12.208","0.005","23.499","0.01","8.838","0.004","90","","90","","90","","2535.4","1.9","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba5.25 Pb1.75 S13 Sn3 -","- Ba5.242 Pb1.758 S13 Sn3 -","- Ba20.968 Pb7.032 S52 Sn12 -","4","0.5","","Abudurusuli, Ailijiang; Ding, Hanqin; Wu, Kui","Synthesis and characterization of two lead-containing metal chalcogenides: Ba5Pb2Sn3S13 and Ba6PbSn3Se13","Journal of Solid State Chemistry","2017","255","","133","138","10.1016/j.jssc.2017.08.019","","","0.71073","MoKα","","0.0512","0.0394","","","0.1032","0.1081","","","","","","1.11","","","","has coordinates","261900","2021-02-11","17:35:19",""
"1560400","13.5667","0.0018","7.6891","0.001","6.4169","0.0009","90","","90","","90","","669.38","0.16","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cu4 S4 Sn -","- Cu3.999 S4 Sn -","- Cu15.996 S16 Sn4 -","4","0.5","","Choudhury, Amitava; Mohapatra, Sudip; Yaghoobnejad Asl, Hooman; Lee, Seng Huat; Hor, Yew San; Medvedeva, Julia E.; McClane, Devon L.; Hilmas, Gregory E.; McGuire, Michael A.; May, Andrew F.; Wang, Hsin; Dash, Shreeram; Welton, Aaron; Boolchand, Punit; Devlin, Kasey P.; Aitken, Jennifer; Herbst-Irmer, Regine; Petříček, Váčlav","New insights into the structure, chemistry, and properties of Cu4SnS4","Journal of Solid State Chemistry","2017","253","","192","201","10.1016/j.jssc.2017.05.033","","","0.71073","MoKα","","0.0346","0.0319","","","0.0753","0.0768","","","","","","1.081","","","","has coordinates,has disorder","261995","2021-02-16","08:12:26",""
"1560438","11.2079","0.0005","3.9686","0.0002","44.1642","0.0018","90","","90","","90","","1964.41","0.15","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","neodymium cobalt indium sulfide (7/1/1/13)","neodymium cobalt indium sulfide (7/1/1/13)","","- Fe In Nd7 S13 -","- Fe In Nd7 S13 -","- Fe4 In4 Nd28 S52 -","4","0.5","","Iyer, Abishek K.; Yin, Wenlong; Stoyko, Stanislav S.; Rudyk, Brent W.; Mar, Arthur","Quaternary rare-earth sulfides Nd 7 FeInS 13 and Pr 7 CoInS 13","Journal of Solid State Chemistry","2017","251","","50","54","10.1016/j.jssc.2017.04.010","","","0.71073","MoKα","","0.0365","0.0289","","","0.065","0.0674","","","","","","1.11","","","","has coordinates","262024","2021-02-17","09:23:54",""
"1560439","11.2303","0.0006","3.9876","0.0002","44.506","0.002","90","","90","","90","","1993.07","0.17","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","praseodymium cobalt indium sulfide (7/1/1/13)","praseodymium cobalt indium sulfide (7/1/1/13)","","- Co In Pr7 S13 -","- Co In Pr7 S13 -","- Co4 In4 Pr28 S52 -","4","0.5","","Iyer, Abishek K.; Yin, Wenlong; Stoyko, Stanislav S.; Rudyk, Brent W.; Mar, Arthur","Quaternary rare-earth sulfides Nd 7 FeInS 13 and Pr 7 CoInS 13","Journal of Solid State Chemistry","2017","251","","50","54","10.1016/j.jssc.2017.04.010","","","0.71073","MoKα","","0.0788","0.0415","","","0.0741","0.0848","","","","","","1.008","","","","has coordinates","262025","2021-02-17","09:25:17",""
"1560456","14.8627","0.0014","6.5304","0.0005","15.4966","0.0017","90","","90","","90","","1504.1","0.2","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C11 H16 Ag Cl N4 O4 -","- C11 H16 Ag Cl N4 O4 -","- C44 H64 Ag4 Cl4 N16 O16 -","4","0.5","","Xiao, Ying-Hui; Huang, Jing; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of multinuclear, chain and layer silver(I) complexes assembled from bispyridine analogues of pyridinyl-hexahydropyrimidine","Journal of Solid State Chemistry","2017","251","","255","265","10.1016/j.jssc.2017.04.033","","","0.71073","MoKα","","0.0835","0.0568","","","0.1195","0.14","","","","","","1.006","","","","has coordinates,has disorder","262038","2021-02-17","12:36:34",""
"1560457","25.2964","0.0014","6.4765","0.0003","16.2622","0.0015","90","","90","","90","","2664.3","0.3","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H30 Ag2 N8 O8 -","- C18 H30 Ag2 N8 O8 -","- C72 H120 Ag8 N32 O32 -","4","0.5","","Xiao, Ying-Hui; Huang, Jing; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of multinuclear, chain and layer silver(I) complexes assembled from bispyridine analogues of pyridinyl-hexahydropyrimidine","Journal of Solid State Chemistry","2017","251","","255","265","10.1016/j.jssc.2017.04.033","","","0.71073","MoKα","","0.092","0.0671","","","0.2007","0.2213","","","","","","1.068","","","","has coordinates,has disorder","262038","2021-02-17","12:36:35",""
"1560511","16.2799","0.0005","5.3489","0.0002","11.6559","0.0005","90","","90","","90","","1014.99","0.07","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 O10 Se3 V -","- Ba2 O10 Se3 V -","- Ba8 O40 Se12 V4 -","4","0.5","","Konatham, Satish; Vidyasagar, Kanamaluru","Syntheses and structural characterization of vanado-tellurites and vanadyl-selenites: SrVTeO 5 (OH), Cd 2 V 2 Te 2 O 11 , Ca 3 VSe 4 O 13 ·H 2 O and Ba 2 VSe 3 O 10","Journal of Solid State Chemistry","2017","249","","39","45","10.1016/j.jssc.2017.02.017","","","0.71073","MoKα","","0.0705","0.057","","","0.1065","0.1134","","","","","","1.13","","","","has coordinates","262126","2021-02-22","08:09:14",""
"1560574","10.211","0.0002","5.92075","0.00012","4.70581","0.00011","90","","90","","90","","284.498","0.01","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","lithium cobalt phosphate","","","- Co Li O4 P -","- Co Li O4 P -","- Co4 Li4 O16 P4 -","4","0.5","","Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom","Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres","Journal of Solid State Chemistry","2017","248","","9","17","10.1016/j.jssc.2017.01.015","powder diffraction","x-ray","0.7093","MoKα1","","0.0272","0.0267","","0.0284","0.0283","","","","1.48","","","","","","","has coordinates","262156","2021-02-23","09:51:15",""
"1560575","10.2114","0.0003","5.92985","0.00016","4.70439","0.00013","90","","90","","90","","284.861","0.014","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","lithium cobalt phosphate","","","- Co Li O4 P -","- Co Li O4 P -","- Co4 Li4 O16 P4 -","4","0.5","","Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom","Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres","Journal of Solid State Chemistry","2017","248","","9","17","10.1016/j.jssc.2017.01.015","powder diffraction","x-ray","0.7093","MoKα1","","0.0257","0.0257","","0.0298","0.0298","","","","1.96","","","","","","","has coordinates","262156","2021-02-23","09:51:26",""
"1560576","10.2155","0.0006","5.9163","0.0003","4.7025","0.0002","90","","90","","90","","284.21","0.03","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","lithium cobalt phosphate","","","- Co Li O4 P -","- Co Li O4 P -","- Co4 Li4 O16 P4 -","4","0.5","","Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom","Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres","Journal of Solid State Chemistry","2017","248","","9","17","10.1016/j.jssc.2017.01.015","powder diffraction","x-ray","0.7093","MoKα1","","0.0229","0.0229","","0.0299","0.0299","","","","1.81","","","","","","","has coordinates","262156","2021-02-23","09:51:36",""
"1560615","7.6176","0.0009","12.1811","0.0016","19.258","0.002","90","","90","","90","","1787","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H18 N2 O13 Se2 U -","- C4 H18 N2 O13 Se2 U -","- C16 H72 N8 O52 Se8 U4 -","4","0.5","","Gurzhiy, Vladislav V.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Dehydration-driven evolution of topological complexity in ethylamonium uranyl selenates","Journal of Solid State Chemistry","2017","247","","105","112","10.1016/j.jssc.2017.01.005","","","0.71073","MoKα","","0.0557","0.042","","","0.0708","0.0742","","","","","","1.168","","","","has coordinates,has disorder","262194","2021-02-24","10:30:55",""
"1560684","8.5552","0.0007","32.5091","0.0012","9.041","0.0007","90","","90","","90","","2514.5","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As7 Cl Mn11 O28 -","- As7 Cl Mn11 O28 -","- As28 Cl4 Mn44 O112 -","4","0.5","","Weil, Matthias; Kremer, Reinhard K.","Crystal growth and crystal structures of six novel phases in the Mn/As/O/Cl(Br) system, as well as magnetic properties of α -Mn 3 (AsO 4 ) 2","Journal of Solid State Chemistry","2017","245","","115","126","10.1016/j.jssc.2016.09.027","","","0.71073","MoKα","","0.0239","0.0216","","","0.0506","0.0517","","","","","","1.065","","","","has coordinates","262260","2021-02-26","10:15:23",""
"1560685","8.5719","0.0006","32.558","0.002","9.0345","0.0007","90","","90","","90","","2521.4","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As7 Br Mn11 O28 -","- As7 Br Mn11 O28 -","- As28 Br4 Mn44 O112 -","4","0.5","","Weil, Matthias; Kremer, Reinhard K.","Crystal growth and crystal structures of six novel phases in the Mn/As/O/Cl(Br) system, as well as magnetic properties of α -Mn 3 (AsO 4 ) 2","Journal of Solid State Chemistry","2017","245","","115","126","10.1016/j.jssc.2016.09.027","","","0.71073","MoKα","","0.0434","0.0312","","","0.0586","0.0632","","","","","","1.044","","","","has coordinates","262260","2021-02-26","10:15:23",""
"1560816","14.89","0.002","20.903","0.003","14.7765","0.0019","90","","90","","90","","4599.1","1.1","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C41 H56 Br2 Mn2 N8 O12 -","- C41 H56 Br2 Mn2 N8 O12 -","- C164 H224 Br8 Mn8 N32 O48 -","4","0.5","","MIKURIYA, Masahiro; ONO, Sayuri; KOYAMA, Yoshiki; MITSUHASHI, Ryoji; TSUBOI, Motohiro","Crystal Structure of μ-Oxido-μ-phenolato-bridged Dinuclear Manganese(III) Complex of Schiff-base Ligand with Bromido Coordination","X-ray Structure Analysis Online","2021","37","0","9","11","10.2116/xraystruct.37.9","","","0.71073","MoKα","","0.1054","0.0539","","","0.1065","0.126","","","","","","1.012","","","","has coordinates","262732","2021-03-05","02:30:55",""
"1561135","23.712","0.008","19.929","0.007","9.45","0.004","90","","90","","90","","4466","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C24 H40 Cd5 N9 O28 P3 S2 -","- C24 H16 Cd5 N9 O28 P3 S2 -","- C96 H64 Cd20 N36 O112 P12 S8 -","4","0.5","","Hu, Han; Zhai, Fupeng; Liu, Xiaofeng; Ling, Yun; Chen, Zhenxia; Zhou, Yaming","Hydrothermal syntheses and anion-induced structural transformation of three Cadmium phosphonates","Journal of Solid State Chemistry","2018","261","","9","15","10.1016/j.jssc.2018.02.005","","","0.71073","MoKα","","0.1101","0.0824","","","0.1915","0.1991","","","","","","1.229","","","","has coordinates","263159","2021-03-19","07:59:55",""
"1561245","5.4755","0.0003","7.6815","0.0004","5.3871","0.0003","90","","90","","90","","226.58","0.02","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- D1.5 F1.5 Mg Na -","- D1.5 F1.5 Mg Na -","- D6 F6 Mg4 Na4 -","4","0.5","","Pflug, Christian; Franz, Alexandra; Kohlmann, Holger","Crystal structure and europium luminescence of NaMgH3−xFx","Journal of Solid State Chemistry","2018","258","","391","396","10.1016/j.jssc.2017.10.034","powder diffraction","","1.7981","neutron","","","","","","","","","0.059112","2.3988","","","","","","","has coordinates","263311","2021-03-25","08:51:00",""
"1561246","5.4658","0.0003","7.682","0.0004","5.3921","0.0003","90","","90","","90","","226.4","0.02","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- D2 F Mg Na -","- D2 F Mg Na -","- D8 F4 Mg4 Na4 -","4","0.5","","Pflug, Christian; Franz, Alexandra; Kohlmann, Holger","Crystal structure and europium luminescence of NaMgH3−xFx","Journal of Solid State Chemistry","2018","258","","391","396","10.1016/j.jssc.2017.10.034","powder diffraction","","1.7981","neutron","","","","","5.56","","","","0.072707","1.7471","","","","","","","has coordinates","263311","2021-03-25","08:51:11",""
"1561247","5.4795","0.00021","7.6781","0.00029","5.37951","0.00017","90","","90","","90","","226.328","0.014","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F2.293 H0.707 Mg Na -","- F2.293 H0.707 Mg Na -","- F9.172 H2.828 Mg4 Na4 -","4","0.5","","Pflug, Christian; Franz, Alexandra; Kohlmann, Holger","Crystal structure and europium luminescence of NaMgH3−xFx","Journal of Solid State Chemistry","2018","258","","391","396","10.1016/j.jssc.2017.10.034","powder diffraction","","1.86725","neutron","","","","","11.9","","","","0.103448","1.6275","","","","","","","has coordinates","263311","2021-03-25","08:51:23",""
"1561251","10.0256","0.0006","7.403","0.0004","17.6039","0.0013","90","","90","","90","","1306.55","0.14","300","","301.51","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 Cl4 Co N2 -","- C3.98 Cl4 Co N2 -","- C15.92 Cl16 Co4 N8 -","4","0.5","","Sen, Abhijit; Roy, Soumyabrata; Peter, Sebastian C.; Paul, Arpita; Waghmare, Umesh V.; Sundaresan, A.","Order-disorder structural phase transition and magnetocaloric effect in organic-inorganic halide hybrid (C2H5NH3)2CoCl4","Journal of Solid State Chemistry","2018","258","","431","440","10.1016/j.jssc.2017.10.036","","","0.71073","MoKα","","0.108","0.0751","","","0.2055","0.2263","","","","","","1.075","","","","has coordinates,has disorder","263315","2021-03-25","09:37:28",""
"1561259","13.88304","0.00008","7.37526","0.00004","10.43771","0.00004","90","","90","","90","","1068.73","0.009","298","2","298","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","","","","- C5 Co Fe N6 O3 -","- C5 Co Fe N6 O3 -","- C20 Co4 Fe4 N24 O12 -","4","0.5","","Echevarría, F.; Reguera, L.; González M, M.; Galicia, J.; Ávila, M.; Reguera, E.","Hydrothermal recrystallization of transition metal nitroprussides. Formation of the most stable phases","Journal of Solid State Chemistry","2018","258","","566","572","10.1016/j.jssc.2017.11.029","powder diffraction","x-ray","1.5406","CuKα1","","0.0558","0.0353","","","0.0897","0.095","","","","","","1.85","","","","has coordinates","288309","2023-12-14","13:28:57",""
"1561260","13.96736","0.00012","7.43408","0.00006","10.46303","0.00007","90","","90","","90","","1086.42","0.015","298","2","298","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","","","","- C5 Fe2 N6 O3 -","- C5 Fe2 N6 O3 -","- C20 Fe8 N24 O12 -","4","0.5","","Echevarría, F.; Reguera, L.; González M, M.; Galicia, J.; Ávila, M.; Reguera, E.","Hydrothermal recrystallization of transition metal nitroprussides. Formation of the most stable phases","Journal of Solid State Chemistry","2018","258","","566","572","10.1016/j.jssc.2017.11.029","powder diffraction","x-ray","1.5406","CuKα1","","0.0558","0.0353","","","0.0897","0.095","","","","","","1.85","","","","has coordinates","288309","2023-12-14","13:29:01",""
"1561281","12.8031","0.0004","12.2629","0.0004","12.4809","0.0004","90","","90","","90","","1959.54","0.11","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13 H18 Cd Cl N5 S3 -","- C13 H18 Cd Cl N5 S3 -","- C52 H72 Cd4 Cl4 N20 S12 -","4","0.5","","Beheshti, Azizolla; Nozarian, Kimia; Ghamari, Narges; Mayer, Peter; Motamedi, Hossein","Selective high capacity adsorption of Congo red, luminescence and antibacterial assessment of two new cadmium(II) coordination polymers","Journal of Solid State Chemistry","2018","258","","618","627","10.1016/j.jssc.2017.11.035","","","0.71073","MoKα","","0.0262","0.0227","","","0.0545","0.0564","","","","","","1.081","","","","has coordinates","263351","2021-03-26","09:22:24",""
"1561509","9.9931","0.0011","3.7664","0.0004","18.607","0.002","90","","90","","90","","700.33","0.13","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","potassium germanium arsenide (1/3/3)","potassium germanium arsenide (1/3/3)","","- As3 Ge3 K -","- As3 Ge3 K -","- As12 Ge12 K4 -","4","0.5","","Khatun, Mansura; Stoyko, Stanislav S.; Mar, Arthur","Ternary arsenides ATt3As3 (A=K, Rb; Tt=Ge, Sn) with layered structures","Journal of Solid State Chemistry","2016","238","","229","235","10.1016/j.jssc.2016.03.035","","","0.71073","MoKα","","0.0626","0.0386","","","0.0879","0.0961","","","","","","1.084","","","","has coordinates","263908","2021-04-06","09:42:13",""
"1561510","10.1657","0.0019","3.7595","0.0007","19.028","0.004","90","","90","","90","","727.2","0.2","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","rubidium germanium arsenide (1/3/3)","rubidium germanium arsenide (1/3/3)","","- As3 Ge3 Rb -","- As3 Ge3 Rb -","- As12 Ge12 Rb4 -","4","0.5","","Khatun, Mansura; Stoyko, Stanislav S.; Mar, Arthur","Ternary arsenides ATt3As3 (A=K, Rb; Tt=Ge, Sn) with layered structures","Journal of Solid State Chemistry","2016","238","","229","235","10.1016/j.jssc.2016.03.035","","","0.71073","MoKα","","0.1155","0.0616","","","0.1547","0.1882","","","","","","1.052","","","","has coordinates","263909","2021-04-06","09:44:56",""
"1561511","10.199","0.0012","4.084","0.0005","19.24","0.002","90","","90","","90","","801.4","0.16","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","potassium tin arsenide (1/3/3)","potassium tin arsenide (1/3/3)","","- As3 K Sn3 -","- As3 K Sn3 -","- As12 K4 Sn12 -","4","0.5","","Khatun, Mansura; Stoyko, Stanislav S.; Mar, Arthur","Ternary arsenides ATt3As3 (A=K, Rb; Tt=Ge, Sn) with layered structures","Journal of Solid State Chemistry","2016","238","","229","235","10.1016/j.jssc.2016.03.035","","","0.71073","MoKα","","0.0553","0.0341","","","0.068","0.0745","","","","","","1.02","","","","has coordinates","263910","2021-04-06","09:47:16",""
"1561512","10.3211","0.0011","4.0917","0.0004","19.57","0.002","90","","90","","90","","826.46","0.15","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","rubidium tin arsenide (1/3/3)","rubidium tin arsenide (1/3/3)","","- As3 Rb Sn3 -","- As3 Rb Sn3 -","- As12 Rb4 Sn12 -","4","0.5","","Khatun, Mansura; Stoyko, Stanislav S.; Mar, Arthur","Ternary arsenides ATt3As3 (A=K, Rb; Tt=Ge, Sn) with layered structures","Journal of Solid State Chemistry","2016","238","","229","235","10.1016/j.jssc.2016.03.035","","","0.71073","MoKα","","0.0426","0.0271","","","0.0547","0.0603","","","","","","1.017","","","","has coordinates","263911","2021-04-06","09:48:22",""
"1561526","17.4966","0.0018","7.4425","0.001","12.5076","0.0019","90","","90","","90","","1628.7","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cs Ge In S4 -","- Cs Ge In S4 -","- Cs8 Ge8 In8 S32 -","8","1","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds","Journal of Solid State Chemistry","2016","238","","291","302","10.1016/j.jssc.2016.03.045","","","0.71073","MoKα","","0.0546","0.0332","","","0.0514","0.059","","","","","","1.038","","","","has coordinates","263939","2021-04-07","07:21:16",""
"1561527","17.2759","0.0012","7.3404","0.0005","11.6671","0.0008","90","","90","","90","","1479.53","0.18","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ge In S4 Tl -","- Ge In S4 Tl -","- Ge8 In8 S32 Tl8 -","8","1","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds","Journal of Solid State Chemistry","2016","238","","291","302","10.1016/j.jssc.2016.03.045","","","0.71073","MoKα","","0.1809","0.0748","","","0.1725","0.2236","","","","","","0.997","","","","has coordinates","263939","2021-04-07","07:21:29",""
"1561593","6.235","0.0003","6.6281","0.0003","14.4731","0.0006","90","","90","","90","","598.12","0.05","298","","283","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca0.66 Mn0.33 O8 P2 Zr -","- Ca0.66 Mn0.33 O8 P2 Zr -","- Ca2.64 Mn1.32 O32 P8 Zr4 -","4","0.5","","Orlova, Maria; Perfler, Lukas; Tribus, Martina; Salnikov, Petr; Glorieux, Benoit; Orlova, Albina","Temperature induced phase transition of CaMn0.5Zr1.5(PO4)3 phosphate","Journal of Solid State Chemistry","2016","235","","36","42","10.1016/j.jssc.2015.12.014","powder diffraction","","","X-ray","","","","","","","","","5.838","","","","","","","","has coordinates","264003","2021-04-09","07:43:00",""
"1561613","17.4761","0.0016","4.0078","0.0004","27.391","0.002","90","","90","","90","","1918.5","0.3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi3 Cu1.5 I0.5 S5 -","- Bi3 Cu1.5 I0.5 S5 -","- Bi24 Cu12 I4 S40 -","8","1","","Liang, I-Chu; Bilc, Daniel I.; Manoli, Maria; Chang, Wei-Yun; Lin, Wen-Fu; Kyratsi, Theodora; Hsu, Kuei-Fang","Syntheses, crystal Structures and electronic Structures of new metal chalcoiodides Bi2CuSe3I and Bi6Cu3S10I","Journal of Solid State Chemistry","2016","234","","1","8","10.1016/j.jssc.2015.09.030","","","0.71073","MoKα","","0.0407","0.0371","","","0.0865","0.0884","","","","","","1.074","","","","has coordinates","264013","2021-04-09","08:39:08",""
"1561732","20.342","0.004","13.566","0.003","9.877","0.002","90","","90","","90","","2725.7","1","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 Cu4 N4 S4 W -","- C15 Cu4 N4 S4 W -","- C60 Cu16 N16 S16 W4 -","4","0.5","","Zhang, Jinfang; Wang, Chao; Wang, Yinlin; Chen, Weitao; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Single cyanide-bridged Mo(W)/S/Cu cluster-based coordination polymers: Reactant- and stoichiometry-dependent syntheses, effective photocatalytic properties","Journal of Solid State Chemistry","2015","231","","230","238","10.1016/j.jssc.2015.08.025","","","0.71073","MoKα","","0.055","0.0506","","","0.1248","0.1283","","","","","","1.09","","","","has coordinates","264131","2021-04-14","08:40:07",""
"1561804","5.56275","0.00004","7.8416","0.00006","5.54642","0.00004","90","","90","","90","","241.94","0.003","50","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Fe La O3 -","- Fe La O3 -","- Fe4 La4 O12 -","4","0.5","","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","","","","","","","","","","","","","2.6","","","","","","","has coordinates","264193","2021-04-15","08:13:42",""
"1561805","5.56489","0.00005","7.85248","0.00006","5.55497","0.00004","90","","90","","90","","242.742","0.003","275","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Fe La O3 -","- Fe La O3 -","- Fe4 La4 O12 -","4","0.5","","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","","","","","","","","","","","","","2.5","","","","","","","has coordinates","264193","2021-04-15","08:13:44",""
"1561806","5.58483","0.0002","7.89328","0.0003","5.58514","0.00021","90","","90","","90","","246.208","0.016","775","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Fe La O3 -","- Fe La O3 -","- Fe4 La4 O12 -","4","0.5","","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","","","","","","","","","","","","","1.88","","","","","","","has coordinates","264193","2021-04-15","08:13:47",""
"1561807","5.60478","0.00022","7.9347","0.0004","5.6185","0.00024","90","","90","","90","","249.867","0.019","1210","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Fe La O3 -","- Fe La O3 -","- Fe4 La4 O12 -","4","0.5","","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","","","","","","","","","","","","","1.99","","","","","","","has coordinates","264193","2021-04-15","08:13:55",""
"1561820","11.6591","0.0011","14.9556","0.0017","22.194","0.002","90","","90","","90","","3869.9","0.7","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H8 N4 O26 Se5 U3 -","- C8 H8 N4 O26 Se5 U3 -","- C32 H32 N16 O104 Se20 U12 -","4","0.5","","Gurzhiy, Vladislav V.; Kovrugin, Vadim M.; Tyumentseva, Olga S.; Mikhaylenko, Pavel A.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Topologically and geometrically flexible structural units in seven new organically templated uranyl selenates and selenite‒selenates","Journal of Solid State Chemistry","2015","229","","32","40","10.1016/j.jssc.2015.04.040","","","0.71073","MoKα","","0.0949","0.0602","","","0.0962","0.1053","","","","","","1.127","","","","has coordinates,has Fobs","264204","2021-04-15","09:28:17",""
"1561912","12.5124","0.0004","9.8275","0.0002","8.8142","0.0003","90","","90","","90","","1083.84","0.06","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba2 Br K S4 Sn -","- Ba1.998 Br K1.002 S4 Sn -","- Ba7.992 Br4 K4.008 S16 Sn4 -","4","0.5","","Li, Chao; Feng, Kai; Tu, Heng; Yao, Jiyong; Wu, Yicheng","Four new chalcohalides, NaBa2SnS4Cl, KBa2SnS4Cl, KBa2SnS4Br and CsBa2SnS4Cl: Syntheses, crystal structures and optical properties","Journal of Solid State Chemistry","2015","227","","104","109","10.1016/j.jssc.2015.03.013","","","0.71073","MoKα","","0.0319","0.0277","","","0.0644","0.0664","","","","","","1.07","","","","has coordinates","264303","2021-04-19","08:52:28",""
"1561926","23.9695","0.0014","6.7843","0.0005","9.2303","0.0003","90","","90","","90","","1501","0.15","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H19 O7 Tb -","- C14 H19 O7 Tb -","- C56 H76 O28 Tb4 -","4","0.5","","Thuéry, Pierre","Structural variations in terbium(III) complexes with 1,3-adamantanedicarboxylate and diverse co-ligands","Journal of Solid State Chemistry","2015","227","","265","272","10.1016/j.jssc.2015.01.036","","","0.71073","MoKα","","0.0591","0.0542","","","0.1359","0.1388","","","","","","1.26","","","","has coordinates","264308","2021-04-19","09:29:25",""
"1561930","16.079","0.003","18.774","0.003","14.286","0.002","90","","90","","90","","4312.5","1.2","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H32 Mn2 N4 O18 S4 -","- C24 H32 Mn2 N4 O18 S4 -","- C96 H128 Mn8 N16 O72 S16 -","4","0.5","","Han, Yinfeng; Wang, Chang-an; Zheng, Zebao; Sun, Jiafeng; Nie, Kun; Zuo, Jian; Zhang, Jianping","In situ ligand generation for novel Mn(II) and Ni(II) coordination polymers with disulfide ligand: Solvothermal syntheses, structures and magnetic properties","Journal of Solid State Chemistry","2015","227","","87","91","10.1016/j.jssc.2015.03.008","","","0.71073","MoKα","","0.0898","0.0746","","","0.1914","0.2006","","","","","","1.087","","","","has coordinates","264309","2021-04-19","09:35:26",""
"1561947","5.7753","0.001","7.6025","0.001","5.4222","0.001","90","","90","","90","","238.07","0.07","323","","323","","","","","","","","","4","P n m a","-P 2ac 2n","62","NdMn0.8Fe0.2O2.9","","","- Fe0.8 Mn3.2 Nd4 O11.6 -","- Fe0.8 Mn3.2 Nd4 O11.6004 -","- Fe0.8 Mn3.2 Nd4 O11.6004 -","1","0.125","","Matus Mihalik","Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)","Journal of Alloys and Compounds","2021","857","","157612","","10.1016/j.jallcom.2020.157612","","","1.54056","CuKα~1~","","","","","","","","","0.0363","1.342","","","","","","","has coordinates","264355","2021-04-21","07:45:16",""
"1561948","5.621","0.001","7.842","0.001","5.519","0.001","90","","90","","90","","243.28","0.07","1273","","1273","","","","","","","","","4","P n m a","-P 2ac 2n","62","NdMn0.8Fe0.2O2.9","","","- Fe0.8 Mn3.2 Nd4 O11.6 -","- Fe0.8 Mn3.2 Nd4 O11.6004 -","- Fe0.8 Mn3.2 Nd4 O11.6004 -","1","0.125","","Matus Mihalik","Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)","Journal of Alloys and Compounds","2021","857","","157612","","10.1016/j.jallcom.2020.157612","","","1.54056","CuKα~1~","","","","","","","","","0.0407","1.536","","","","","","","has coordinates","264356","2021-04-21","07:52:31",""
"1561949","5.6046","0.001","7.8383","0.001","5.5186","0.001","90","","90","","90","","242.44","0.07","1273","","1273","","","","","","","","","4","P n m a","-P 2ac 2n","62","NdMn0.8Fe0.2O3","","","- Fe0.8 Mn3.2 Nd4 O12 -","- Fe0.8 Mn3.2 Nd4 O12 -","- Fe0.8 Mn3.2 Nd4 O12 -","1","0.125","","Matus Mihalik","Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)","Journal of Alloys and Compounds","2021","857","","157612","","10.1016/j.jallcom.2020.157612","","","1.54056","CuKα~1~","","","","","","","","","0.0322","1.151","","","","","","","has coordinates","264357","2021-04-21","07:52:40",""
"1561950","5.6346","0.001","7.842","0.001","5.5179","0.001","90","","90","","90","","243.82","0.07","1273","","1273","","","","","","","","","4","P n m a","-P 2ac 2n","62","NdMn0.9Fe0.1O2.9","","","- Fe0.4 Mn3.6 Nd4 O11.6 -","- Fe0.4 Mn3.6 Nd4 O11.6004 -","- Fe0.4 Mn3.6 Nd4 O11.6004 -","1","0.125","","Matus Mihalik","Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)","Journal of Alloys and Compounds","2021","857","","157612","","10.1016/j.jallcom.2020.157612","","","1.54056","CuKα~1~","","","","","","","","","0.04138","1.562","","","","","","","has coordinates","264358","2021-04-21","07:52:59",""
"1561951","5.8096","0.001","7.5778","0.001","5.4196","0.001","90","","90","","90","","238.59","0.07","323","","323","","","","","","","","","4","P n m a","-P 2ac 2n","62","NdMn0.9Fe0.1O2.9","","","- Fe0.4 Mn3.6 Nd4 O11.6 -","- Fe0.4 Mn3.6 Nd4 O11.6004 -","- Fe0.4 Mn3.6 Nd4 O11.6004 -","1","0.125","","Matus Mihalik","Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)","Journal of Alloys and Compounds","2021","857","","157612","","10.1016/j.jallcom.2020.157612","","","1.54056","CuKα~1~","","","","","","","","","0.0493","2.259","","","","","","","has coordinates","264359","2021-04-21","07:53:23",""
"1561952","5.5927","0.001","7.8178","0.001","5.5063","0.001","90","","90","","90","","240.75","0.07","1273","","1273","","","","","","","","","4","P n m a","-P 2ac 2n","62","NdMn0.9Fe0.1O3","","","- Fe0.4 Mn3.6 Nd4 O12 -","- Fe0.4 Mn3.6 Nd4 O12 -","- Fe0.4 Mn3.6 Nd4 O12 -","1","0.125","","Matus Mihalik","Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)","Journal of Alloys and Compounds","2021","857","","157612","","10.1016/j.jallcom.2020.157612","","","1.54056","CuKα~1~","","","","","","","","","0.0336","1.156","","","","","","","has coordinates","264360","2021-04-21","07:53:30",""
"1561953","5.6657","0.001","7.6228","0.001","5.4186","0.001","90","","90","","90","","234.02","0.07","323","","323","","","","","","","","","4","P n m a","-P 2ac 2n","62","NdMn0.9Fe0.1O3","","","- Fe0.4 Mn3.6 Nd4 O12 -","- Fe0.4 Mn3.6 Nd4 O12 -","- Fe0.4 Mn3.6 Nd4 O12 -","1","0.125","","Matus Mihalik","Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)","Journal of Alloys and Compounds","2021","857","","157612","","10.1016/j.jallcom.2020.157612","","","1.54056","CuKα~1~","","","","","","","","","0.0415","1.588","","","","","","","has coordinates","264361","2021-04-21","07:53:36",""
"1561954","5.6392","0.001","7.8384","0.001","5.5155","0.001","90","","90","","90","","243.8","0.07","1273","","1273","","","","","","","","","3","P n m a","-P 2ac 2n","62","NdMnO2.9","","","- Mn4 Nd4 O11.6 -","- Mn4 Nd4 O11.6004 -","- Mn4 Nd4 O11.6004 -","1","0.125","","Matus Mihalik","Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)","Journal of Alloys and Compounds","2021","857","","157612","","10.1016/j.jallcom.2020.157612","","","1.54056","CuKα~1~","","","","","","","","","0.0398","1.567","","","","","","","has coordinates","264362","2021-04-21","07:53:48",""
"1561955","5.8463","0.001","7.5498","0.001","5.4169","0.001","90","","90","","90","","239.09","0.07","323","","323","","","","","","","","","3","P n m a","-P 2ac 2n","62","NdMnO2.9","","","- Mn4 Nd4 O11.6 -","- Mn4 Nd4 O11.6004 -","- Mn4 Nd4 O11.6004 -","1","0.125","","Matus Mihalik","Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)","Journal of Alloys and Compounds","2021","857","","157612","","10.1016/j.jallcom.2020.157612","","","1.54056","CuKα~1~","","","","","","","","","0.045","2.096","","","","","","","has coordinates","264363","2021-04-21","07:53:56",""
"1561956","5.6021","0.001","7.8322","0.001","5.5149","0.001","90","","90","","90","","241.98","0.07","1273","","1273","","","","","","","","","3","P n m a","-P 2ac 2n","62","NdMnO3","","","- Mn Nd O3 -","- Mn Nd O3 -","- Mn4 Nd4 O12 -","4","0.5","","Matus Mihalik","Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)","Journal of Alloys and Compounds","2021","857","","157612","","10.1016/j.jallcom.2020.157612","","","1.54056","CuKα~1~","","","","","","","","","0.0283","1.014","","","","","","","has coordinates","264364","2021-04-21","07:54:10",""
"1561957","5.6748","0.001","7.602","0.001","5.4108","0.001","90","","90","","90","","233.42","0.07","323","","323","","","","","","","","","3","P n m a","-P 2ac 2n","62","NdMnO3","","","- Mn Nd O3 -","- Mn Nd O3 -","- Mn4 Nd4 O12 -","4","0.5","","Matus Mihalik","Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)","Journal of Alloys and Compounds","2021","857","","157612","","10.1016/j.jallcom.2020.157612","","","1.54056","CuKα~1~","","","","","","","","","0.0394","1.319","","","","","","","has coordinates","264365","2021-04-21","07:54:22",""
"1561960","11.683","0.002","16.583","0.003","22.832","0.005","90","","90","","90","","4423.5","1.5","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H4 O30 U3 -","- C20 H4 O30 U3 -","- C80 H16 O120 U12 -","4","0.5","","Zhang, Yingjie; Bhadbhade, Mohan; Karatchevtseva, Inna; Price, Jason R.; Liu, Hao; Zhang, Zhaoming; Kong, Linggen; Čejka, Jiří; Lu, Kim; Lumpkin, Gregory R.","Uranium(VI) coordination polymers with pyromellitate ligand: Unique 1D channel structures and diverse fluorescence","Journal of Solid State Chemistry","2015","226","","42","49","10.1016/j.jssc.2015.01.033","","","0.7293","Synchrotron","","0.0471","0.0452","","","0.1193","0.1206","","","","","","1.055","","","","has coordinates","264368","2021-04-21","09:31:25",""
"1561971","5.5998","0.001","7.725","0.001","5.4368","0.001","90","","90","","90","","235.19","0.07","13","","13","","","","","","","","","4","P n m a","-P 2ac 2n","62","NdMn0.1Fe0.9O3","","","- Fe3.6 Mn0.4 Nd4 O12 -","- Fe3.6 Mn0.4 Nd4 O12 -","- Fe3.6 Mn0.4 Nd4 O12 -","1","0.125","","Matus Mihalik et al.","Magnetism in NdMn0.1Fe0.9O3 compound","Journal of Magnetism and Magnetic Materials","2020","502","","166539","","10.1016/j.jmmm.2020.166539","","","1.789","CoKα~1~","","","","","","","","","0.0287","1.1261","","","","","","","has coordinates","264373","2021-04-21","10:31:16",""
"1561972","5.597","0.001","7.7426","0.001","5.4457","0.001","90","","90","","90","","235.99","0.07","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","NdMn0.1Fe0.9O3","","","- Fe3.6 Mn0.4 Nd4 O12 -","- Fe3.6 Mn0.4 Nd4 O12 -","- Fe3.6 Mn0.4 Nd4 O12 -","1","0.125","","Matus Mihalik et al.","Magnetism in NdMn0.1Fe0.9O3 compound","Journal of Magnetism and Magnetic Materials","2020","502","","166539","","10.1016/j.jmmm.2020.166539","","","1.789","CoKα~1~","","","","","","","","","0.0285","1.0124","","","","","","","has coordinates","264374","2021-04-21","10:31:26",""
"1561973","5.5992","0.001","7.7265","0.001","5.4372","0.001","90","","90","","90","","235.23","0.07","76","","76","","","","","","","","","4","P n m a","-P 2ac 2n","62","NdMn0.1Fe0.9O3","","","- Fe3.6 Mn0.4 Nd4 O12 -","- Fe3.6 Mn0.4 Nd4 O12 -","- Fe3.6 Mn0.4 Nd4 O12 -","1","0.125","","Matus Mihalik et al.","Magnetism in NdMn0.1Fe0.9O3 compound","Journal of Magnetism and Magnetic Materials","2020","502","","166539","","10.1016/j.jmmm.2020.166539","","","1.789","CoKα~1~","","","","","","","","","0.0282","1.0945","","","","","","","has coordinates","264375","2021-04-21","10:31:34",""
"1562024","5.5947","0.001","7.8851","0.001","5.5634","0.001","90","","90","","90","","245.43","0.07","1273","","1273","","","","","","","","","4","P n m a","-P 2ac 2n","62","PrMn0.8Fe0.2O3","","","- Fe0.8 Mn3.2 O12 Pr4 -","- Fe0.8 Mn3.2 O12 Pr4 -","- Fe0.8 Mn3.2 O12 Pr4 -","1","0.125","","Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M.","Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds","Journal of Alloys and Compounds","2016","687","","652","661","10.1016/j.jallcom.2016.06.177","","","1.54056","CuKα~1~","","","","","","","","","0.118","6.095","","","","","","","has coordinates","264455","2021-04-23","08:38:40",""
"1562025","5.7594","0.001","7.6443","0.001","5.4602","0.001","90","","90","","90","","240.39","0.07","303","","303","","","","","","","","","4","P n m a","-P 2ac 2n","62","PrMn0.8Fe0.2O3","","","- Fe0.8 Mn3.2 O12 Pr4 -","- Fe0.8 Mn3.2 O12 Pr4 -","- Fe0.8 Mn3.2 O12 Pr4 -","1","0.125","","Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M.","Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds","Journal of Alloys and Compounds","2016","687","","652","661","10.1016/j.jallcom.2016.06.177","","","1.54056","CuKα~1~","","","","","","","","","0.1132","5.9819","","","","","","","has coordinates","264456","2021-04-23","08:38:47",""
"1562026","5.5936","0.001","7.8829","0.001","5.5627","0.001","90","","90","","90","","245.28","0.07","1273","","1273","","","","","","","","","4","P n m a","-P 2ac 2n","62","PrMn0.9Fe0.1O3","","","- Fe0.4 Mn3.6 O12 Pr4 -","- Fe0.4 Mn3.6 O12 Pr4 -","- Fe0.4 Mn3.6 O12 Pr4 -","1","0.125","","Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M.","Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds","Journal of Alloys and Compounds","2016","687","","652","661","10.1016/j.jallcom.2016.06.177","","","1.54056","CuKα~1~","","","","","","","","","0.119","6.579","","","","","","","has coordinates","264457","2021-04-23","08:38:54",""
"1562027","5.7952","0.001","7.6218","0.001","5.4605","0.001","90","","90","","90","","241.19","0.07","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","PrMn0.9Fe0.1O3","","","- Fe0.4 Mn3.6 O12 Pr4 -","- Fe0.4 Mn3.6 O12 Pr4 -","- Fe0.4 Mn3.6 O12 Pr4 -","1","0.125","","Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M.","Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds","Journal of Alloys and Compounds","2016","687","","652","661","10.1016/j.jallcom.2016.06.177","","","1.54056","CuKα~1~","","","","","","","","","0.1139","6.586","","","","","","","has coordinates","264458","2021-04-23","08:39:00",""
"1562028","5.592","0.001","7.8818","0.001","5.5627","0.001","90","","90","","90","","245.18","0.07","1273","","1273","","","","","","","","","3","P n m a","-P 2ac 2n","62","PrMnO3","","","- Mn O3 Pr -","- Mn O3 Pr -","- Mn4 O12 Pr4 -","4","0.5","","Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M.","Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds","Journal of Alloys and Compounds","2016","687","","652","661","10.1016/j.jallcom.2016.06.177","","","1.54056","CuKα~1~","","","","","","","","","0.131","6.906","","","","","","","has coordinates","264459","2021-04-23","08:39:18",""
"1562029","5.8276","0.001","7.5986","0.001","5.4589","0.001","90","","90","","90","","241.73","0.07","373","","373","","","","","","","","","3","P n m a","-P 2ac 2n","62","PrMnO3","","","- Mn O3 Pr -","- Mn O3 Pr -","- Mn4 O12 Pr4 -","4","0.5","","Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M.","Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds","Journal of Alloys and Compounds","2016","687","","652","661","10.1016/j.jallcom.2016.06.177","","","1.54056","CuKα~1~","","","","","","","","","0.131","7.937","","","","","","","has coordinates","264460","2021-04-23","08:39:27",""
"1562045","9.03867","0.00008","10.60721","0.00008","8.30654","0.00007","90","","90","","90","","796.39","0.011","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","Li Mg3 (P O4) P2 O7","","","- Li Mg3 O11 P3 -","- Li Mg3 O11 P3 -","- Li4 Mg12 O44 P12 -","4","0.5","","Kim, Sung-Chul; Lee, Mi-Sun; Kang, Jinyeong; Kim, Young-Il; Kim, Seung-Joo","Crystal structure and ion conductivity of a new mixed-anion phosphate LiMg3(PO4)P2O7","Journal of Solid State Chemistry","2015","225","","335","339","10.1016/j.jssc.2015.01.011","powder diffraction","","0.413077","Synchrotron","","","","","","","","","4.5534","1.301","","","","","","","has coordinates","264469","2021-04-23","09:40:36",""
"1562091","16.8094","0.0007","14.4553","0.0007","10.4397","0.0003","90","","90","","90","","2536.69","0.18","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C26 H17 Cd N4 O6 -","- C26 H17 Cd N4 O6 -","- C104 H68 Cd4 N16 O24 -","4","0.5","","Lei, Xiao-Ping; Lian, Ting-Ting; Chen, Shu-Mei; Zhang, Jian","Tuning the formations of metal-1,3,5-benzenetricarboxylate frameworks via the assistance of amino acids","Journal of Solid State Chemistry","2015","223","","44","52","10.1016/j.jssc.2014.06.006","","","0.71073","MoKα","","0.0578","0.0436","","","0.1333","0.1482","","","","","","1.206","","","","has coordinates","264531","2021-04-26","08:13:49",""
"1562132","38.903","0.006","4.0877","0.0007","15.37","0.003","90","","90","","90","","2444.2","0.7","150","2","150","2","","","","","","","synthesized by the authors","3","P n m a","-P 2ac 2n","62","Gallium(7)Germanium(3)Tellurium(11)","","","- Ga7 Ge3 Te11 -","- Ga7 Ge3 Te11 -","- Ga28 Ge12 Te44 -","4","0.5","","Drasar, Cestmir; Cisarova, Ivana; Kucek, Vladimir; Benes, Ludvik; Prokleska, Jan; Kratochvilova, Marie","Synthesis of new Ga7Ge3Te11—One-dimensional phase in Ga‒Ge‒Te ternary system: Crystal structure and physical properties","Journal of Solid State Chemistry","2015","222","","90","95","10.1016/j.jssc.2014.11.013","","","0.71073","MoKα","","0.0964","0.0449","","","0.0815","0.0961","","","","","","0.981","","","","has coordinates","264574","2021-04-27","07:33:07",""
"1562237","12.0528","0.0009","9.5497","0.0007","8.5979","0.0006","90","","90","","90","","989.62","0.12","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba3 Ge S5 -","- Ba3 Ge S5 -","- Ba12 Ge4 S20 -","4","0.5","","Pan, Ming-Yan; Xia, Sheng-Qing; Liu, Xiao-Cun; Tao, Xu-Tang","Ba3GeS5 and Ba3InS4Cl: Interesting size effects originated from the tetrahedral anions","Journal of Solid State Chemistry","2014","219","","74","79","10.1016/j.jssc.2014.07.009","","","0.71073","MoKα","","0.0249","0.0204","","","0.0463","0.048","","","","","","0.997","","","","has coordinates","264682","2021-04-29","07:24:52",""
"1562242","11.5245","0.0011","6.7985","0.0007","4.7303","0.0004","90","","90","","90","","370.62","0.06","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cd H I O4 -","- Cd I O4 -","- Cd4 I4 O16 -","4","0.5","","Yang, Bing-Ping; Mao, Jiang-Gao","Synthesis, crystal structure and optical properties of two new layered cadmium iodates: Cd(IO3)X (X=Cl, OH)","Journal of Solid State Chemistry","2014","219","","185","190","10.1016/j.jssc.2014.07.032","","","0.71073","MoKα","","0.043","0.0361","","","0.0921","0.1009","","","","","","1.086","","","","has coordinates","264684","2021-04-29","07:42:09",""
"1562282","6.1745","0.0012","14.316","0.003","10.277","0.002","90","","90","","90","","908.4","0.3","293","2","293","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","","","","- Cr4 Li O12 P3 -","- Cr4.0034 Li0.9966 O12 P3 -","- Cr16.0136 Li3.9864 O48 P12 -","4","0.5","","Mosymow, E.; Glaum, R.; Kremer, R.K.","Searching for “LiCrIIPO4”","Journal of Solid State Chemistry","2014","218","","131","140","10.1016/j.jssc.2014.06.020","","x-ray","0.71073","MoKα","","0.0338","0.028","","","0.0774","0.08","","","","","","1.078","","","","has coordinates","264694","2021-04-29","09:23:48",""
"1562291","9.3794","0.001","13.2922","0.0004","8.5672","0.0007","90","","90","","90","","1068.1","0.15","293","2","293","2","","","110000","","","","","6","P n m a","-P 2ac 2n","62","MHyMnPO2","","","- C H13 Mn N2 O6 P3 -","- C H12 Mn N2 O6 P3 -","- C4 H48 Mn4 N8 O24 P12 -","4","0.5","","Mączka, Mirosław; Sobczak, Szymon; Kryś, Mikołaj; Leite, Fabio Furtado; Paraguassu, Waldeci; Katrusiak, Andrzej","Mechanism of Pressure-Induced Phase Transitions and Structure‒Property Relations in Methylhydrazinium Manganese Hypophosphite Perovskites","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c01998","","","0.71073","MoKα","","0.0465","0.0404","","","0.1125","0.1192","","","","","","1.109","","","","has coordinates,has disorder","264708","2021-04-29","23:26:35",""
"1562292","9.1707","0.0009","13.1949","0.0008","8.3574","0.0007","90","","90","","90","","1011.3","0.14","293","2","293","2","","","890000","","","","","6","P n m a","-P 2ac 2n","62","MHyMnPO2","","","- C H13 Mn N2 O6 P3 -","- C H14 Mn N2 O6 P3 -","- C4 H56 Mn4 N8 O24 P12 -","4","0.5","","Mączka, Mirosław; Sobczak, Szymon; Kryś, Mikołaj; Leite, Fabio Furtado; Paraguassu, Waldeci; Katrusiak, Andrzej","Mechanism of Pressure-Induced Phase Transitions and Structure‒Property Relations in Methylhydrazinium Manganese Hypophosphite Perovskites","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c01998","","","0.71073","MoKα","","0.0601","0.0529","","","0.1452","0.1591","","","","","","1.194","","","","has coordinates","264708","2021-04-29","23:26:36",""
"1562293","7.4791","0.0014","12.9833","0.0011","10.0993","0.0012","90","","90","","90","","980.7","0.2","293","2","293","2","","","1160000","","","","","6","P n m a","-P 2ac 2n","62","MHyMnPO2","","","- C H13 Mn N2 O6 P3 -","- C H12 Mn N2 O6 P3 -","- C4 H48 Mn4 N8 O24 P12 -","4","0.5","","Mączka, Mirosław; Sobczak, Szymon; Kryś, Mikołaj; Leite, Fabio Furtado; Paraguassu, Waldeci; Katrusiak, Andrzej","Mechanism of Pressure-Induced Phase Transitions and Structure‒Property Relations in Methylhydrazinium Manganese Hypophosphite Perovskites","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c01998","","","0.71073","MoKα","","0.0667","0.0489","","","0.1207","0.1288","","","","","","1.074","","","","has coordinates,has disorder","264708","2021-04-29","23:26:36",""
"1562453","10.66898","0.00009","3.79866","0.00003","10.69317","0.00008","90","","90","","90","","433.371","0.006","293","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca2 Gd2 Ge2 O9 -","- Ca2 Gd2 Ge2 O9 -","- Ca4 Gd4 Ge4 O18 -","2","0.25","","Piccinelli, Fabio; Pedroni, Marco; Cagliero, Stefano; Speghini, Adolfo; Bettinelli, Marco","Structural study of Ca2Gd2Ge2O9 and optical spectroscopy of the Eu3+ dopant ion","Journal of Solid State Chemistry","2014","212","","180","184","10.1016/j.jssc.2014.01.025","powder diffraction","x-ray","0.619866","synchrotron","","","","","","","","0.0745","","1.24","","","","","","","has coordinates","265067","2021-05-10","07:43:08",""
"1562498","17.457","0.0018","11.0971","0.0013","5.184","0.0006","90","","90","","90","","1004.3","0.2","298","0.2","298","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Mo O12 Te3 Y2 -","- Mo O12 Te3 Y2 -","- Mo4 O48 Te12 Y8 -","4","0.5","","Bang, Seong-eun; Pan, Zhi; Kim, Yeong Hun; Lee, Dong Woo; Ok, Kang Min","Y2MoSe3O12 and Y2MoTe3O12: Solid-state synthesis, structure determination, and characterization of two new quaternary mixed metal oxides containing asymmetric coordination environment","Journal of Solid State Chemistry","2013","208","","65","70","10.1016/j.jssc.2013.10.002","","","0.71073","MoKα","","0.0653","0.0362","","","0.0695","0.0763","","","","","","0.927","","","","has coordinates","265099","2021-05-11","09:31:34",""
"1562547","14.1113","0.0003","14.1996","0.0003","6.88839","0.00013","90","","90","","90","","1380.26","0.05","149.95","0.1","149.95","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dimethyl Dithienopyrrol","","- C16 H13 N S2 -","- C16 H13 N S2 -","- C64 H52 N4 S8 -","4","0.5","","Förtsch, Sebastian; Mena-Osteritz, Elena; Bäuerle, Peter","Synthesis and characterization of β,β′-dimethylated dithieno[3,2-b:2′,3′-d]pyrroles and their corresponding regioregular conducting electropolymers","Polymer Chemistry","2021","12","22","3332","3345","10.1039/D1PY00479D","","x-ray","1.54184","CuKα","","0.0354","0.0307","","","0.086","0.0898","","","","","","1.087","","","","has coordinates","267254","2021-07-05","18:18:41",""
"1562676","7.941","0.002","9.783","0.003","16.168","0.005","90","","90","","90","","1256","0.6","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H12 Br3 N2 Pb -","- C6 H12 Br3 N2 Pb -","- C24 H48 Br12 N8 Pb4 -","4","0.5","","Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu","Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission","The Journal of Physical Chemistry C","2021","125","20","10850","10859","10.1021/acs.jpcc.1c00515","","","0.71073","MoKα","","0.0319","0.0254","","","0.0551","0.0576","","","","","","1.076","","","","has coordinates,has disorder","265760","2021-06-04","01:03:27",""
"1562720","7.4791","0.0006","10.326","0.001","7.1722","0.0006","90","","90","","90","","553.9","0.08","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba S3 U -","- Ba S3 U -","- Ba4 S12 U4 -","4","0.5","","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","","0.0333","0.0242","","","0.0533","0.0565","","","","","","1.116","","","","has coordinates","265370","2021-05-20","09:09:56",""
"1562730","12.681","0.003","9.1442","0.0018","9.2423","0.0018","90","","90","","90","","1071.7","0.4","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Ga Sb Se5 -","- Ba2 Ga Sb Se5 -","- Ba8 Ga4 Sb4 Se20 -","4","0.5","","Hao, Wenyu; Mei, Dajiang; Yin, Wenlong; Feng, Kai; Yao, Jiyong; Wu, Yicheng","Synthesis, structural characterization and optical properties of new compounds: Centrosymmetric Ba2GaMQ5 (M=Sb,Bi; Q=Se,Te), Ba2InSbTe5 and noncentrosymmetric Ba2InSbSe5","Journal of Solid State Chemistry","2013","198","","81","86","10.1016/j.jssc.2012.09.034","","","0.71073","MoKα","","0.0391","0.0337","","","0.0716","0.0741","","","","","","1.156","","","","has coordinates","265375","2021-05-20","09:43:08",""
"1562731","12.685","0.003","9.1838","0.0018","9.2435","0.0018","90","","90","","90","","1076.8","0.4","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Bi Ga Se5 -","- Ba2 Bi Ga Se5 -","- Ba8 Bi4 Ga4 Se20 -","4","0.5","","Hao, Wenyu; Mei, Dajiang; Yin, Wenlong; Feng, Kai; Yao, Jiyong; Wu, Yicheng","Synthesis, structural characterization and optical properties of new compounds: Centrosymmetric Ba2GaMQ5 (M=Sb,Bi; Q=Se,Te), Ba2InSbTe5 and noncentrosymmetric Ba2InSbSe5","Journal of Solid State Chemistry","2013","198","","81","86","10.1016/j.jssc.2012.09.034","","","0.71073","MoKα","","0.0336","0.0305","","","0.0708","0.0719","","","","","","1.222","","","","has coordinates","265375","2021-05-20","09:43:10",""
"1562732","13.553","0.003","9.5965","0.0019","9.775","0.002","90","","90","","90","","1271.3","0.5","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Ga Sb Te5 -","- Ba2 Ga Sb Te5 -","- Ba8 Ga4 Sb4 Te20 -","4","0.5","","Hao, Wenyu; Mei, Dajiang; Yin, Wenlong; Feng, Kai; Yao, Jiyong; Wu, Yicheng","Synthesis, structural characterization and optical properties of new compounds: Centrosymmetric Ba2GaMQ5 (M=Sb,Bi; Q=Se,Te), Ba2InSbTe5 and noncentrosymmetric Ba2InSbSe5","Journal of Solid State Chemistry","2013","198","","81","86","10.1016/j.jssc.2012.09.034","","","0.71073","MoKα","","0.0445","0.0363","","","0.0769","0.0798","","","","","","1.173","","","","has coordinates","265375","2021-05-20","09:43:13",""
"1562733","13.638","0.003","9.6803","0.0019","9.857","0.002","90","","90","","90","","1301.3","0.5","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Bi Ga Te5 -","- Ba2 Bi Ga Te5 -","- Ba8 Bi4 Ga4 Te20 -","4","0.5","","Hao, Wenyu; Mei, Dajiang; Yin, Wenlong; Feng, Kai; Yao, Jiyong; Wu, Yicheng","Synthesis, structural characterization and optical properties of new compounds: Centrosymmetric Ba2GaMQ5 (M=Sb,Bi; Q=Se,Te), Ba2InSbTe5 and noncentrosymmetric Ba2InSbSe5","Journal of Solid State Chemistry","2013","198","","81","86","10.1016/j.jssc.2012.09.034","","","0.71073","MoKα","","0.0708","0.0595","","","0.1252","0.1318","","","","","","1.012","","","","has coordinates","265375","2021-05-20","09:43:14",""
"1562735","13.782","0.003","4.5732","0.0009","20.184","0.004","90","","90","","90","","1272.2","0.5","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 In Sb Te5 -","- Ba2 In Sb Te5 -","- Ba8 In4 Sb4 Te20 -","4","0.5","","Hao, Wenyu; Mei, Dajiang; Yin, Wenlong; Feng, Kai; Yao, Jiyong; Wu, Yicheng","Synthesis, structural characterization and optical properties of new compounds: Centrosymmetric Ba2GaMQ5 (M=Sb,Bi; Q=Se,Te), Ba2InSbTe5 and noncentrosymmetric Ba2InSbSe5","Journal of Solid State Chemistry","2013","198","","81","86","10.1016/j.jssc.2012.09.034","","","0.71073","MoKα","","0.0607","0.0414","","","0.0819","0.09","","","","","","1.029","","","","has coordinates","265375","2021-05-20","09:43:14",""
"1562793","14.1955","0.0002","14.6274","0.0002","23.0639","0.0004","90","","90","","90","","4789.06","0.13","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","cesium uranyl silicate","","","- Cl0 Cs0.62 O7.08 Si2.46 Te0 U0.62 -","- Cs0.615385 O7.07692 Si2.46154 U0.615385 -","- Cs16 O184 Si64 U16 -","26","3.25","","Babo, Jean-Marie; Albrecht-Schmitt, Thomas E.","High temperature synthesis of two open-framework uranyl silicates with ten-ring channels: Cs2(UO2)2Si8O19 and Rb2(UO2)2Si5O13","Journal of Solid State Chemistry","2013","197","","186","190","10.1016/j.jssc.2012.07.048","","","0.71073","MoKα","","0.0521","0.0267","","","0.0571","0.0666","","","","","","0.991","","","","has coordinates","265416","2021-05-21","08:53:58",""
"1562796","12.253","0.003","4.0891","0.001","21.659","0.005","90","","90","","90","","1085.2","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","cerium silver thullium selenide","","","- Ag0.67 Br0 Ce1.33 Na0 Se4 Yb1.11 -","- Ag0.666667 Ce1.33333 Se4 Yb1.10667 -","- Ag4 Ce8 Se24 Yb6.64 -","6","0.75","","Babo, Jean-Marie; Albrecht-Schmitt, Thomas E.","Ce2AgYb5/3Se6, La2CuErTe5, and Ce2CuTmTe5: Three new quaternary interlanthanide chalcogenides","Journal of Solid State Chemistry","2013","197","","414","419","10.1016/j.jssc.2012.08.024","","","0.71073","MoKα","","0.0492","0.0293","","","0.0599","0.0661","","","","","","1.07","","","","has coordinates","265418","2021-05-21","09:41:17",""
"1562797","13.2258","0.0004","4.3434","0.0001","18.8032","0.0006","90","","90","","90","","1080.15","0.05","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","lanthanum copper erbium telluride","","","- Br0 Cu0.67 Er0.67 La1.33 Na0 Te3.33 -","- Cu0.666667 Er0.666667 La1.33333 Te3.33333 -","- Cu4 Er4 La8 Te20 -","6","0.75","","Babo, Jean-Marie; Albrecht-Schmitt, Thomas E.","Ce2AgYb5/3Se6, La2CuErTe5, and Ce2CuTmTe5: Three new quaternary interlanthanide chalcogenides","Journal of Solid State Chemistry","2013","197","","414","419","10.1016/j.jssc.2012.08.024","","","0.71073","MoKα","","0.0413","0.0308","","","0.0577","0.0602","","","","","","1.135","","","","has coordinates","265418","2021-05-21","09:41:17",""
"1562932","6.56031","0.00006","15.6319","0.00013","10.05044","0.00008","90","","90","","90","","1030.67","0.015","","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca3 Dy2 O12 Si3 -","- Ca2.999 Dy2.001 O12 Si3 -","- Ca11.996 Dy8.004 O48 Si12 -","4","0.5","","Piccinelli, F.; Lausi, A.; Speghini, A.; Bettinelli, M.","Crystal structure study of new lanthanide silicates with silico-carnotite structure","Journal of Solid State Chemistry","2012","194","","233","237","10.1016/j.jssc.2012.05.012","powder diffraction","x-ray","0.826005","synchrotron","","","","","","","","0.09727","","1.4","","","","","","","has coordinates","265554","2021-05-27","09:41:49",""
"1562933","6.55298","0.00005","15.57773","0.00013","10.0263","0.00008","90","","90","","90","","1023.49","0.014","","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca3 Er2 O12 Si3 -","- Ca3 Er2 O12 Si3 -","- Ca12 Er8 O48 Si12 -","4","0.5","","Piccinelli, F.; Lausi, A.; Speghini, A.; Bettinelli, M.","Crystal structure study of new lanthanide silicates with silico-carnotite structure","Journal of Solid State Chemistry","2012","194","","233","237","10.1016/j.jssc.2012.05.012","powder diffraction","x-ray","0.826005","synchrotron","","","","","","","","0.08578","","1.12","","","","","","","has coordinates","265554","2021-05-27","09:41:53",""
"1562934","6.59399","0.00006","15.75071","0.00013","10.09708","0.00009","90","","90","","90","","1048.68","0.016","","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca3 Eu2 O12 Si3 -","- Ca3 Eu2 O12 Si3 -","- Ca12 Eu8 O48 Si12 -","4","0.5","","Piccinelli, F.; Lausi, A.; Speghini, A.; Bettinelli, M.","Crystal structure study of new lanthanide silicates with silico-carnotite structure","Journal of Solid State Chemistry","2012","194","","233","237","10.1016/j.jssc.2012.05.012","powder diffraction","x-ray","0.826132","synchrotron","","","","","","","","0.11586","","1.02","","","","","","","has coordinates","265554","2021-05-27","09:42:03",""
"1562935","6.57911","0.00004","15.72045","0.0001","10.07985","0.00007","90","","90","","90","","1042.52","0.012","","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca3 Gd2 O12 Si3 -","- Ca3 Gd2 O12 Si3 -","- Ca12 Gd8 O48 Si12 -","4","0.5","","Piccinelli, F.; Lausi, A.; Speghini, A.; Bettinelli, M.","Crystal structure study of new lanthanide silicates with silico-carnotite structure","Journal of Solid State Chemistry","2012","194","","233","237","10.1016/j.jssc.2012.05.012","powder diffraction","x-ray","0.826132","synchrotron","","","","","","","","0.07403","","1.02","","","","","","","has coordinates","265554","2021-05-27","09:42:06",""
"1562936","6.54037","0.00006","15.49164","0.00015","9.99034","0.0001","90","","90","","90","","1012.23","0.017","","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca3 Lu2 O12 Si3 -","- Ca3 Lu2 O12 Si3 -","- Ca12 Lu8 O48 Si12 -","4","0.5","","Piccinelli, F.; Lausi, A.; Speghini, A.; Bettinelli, M.","Crystal structure study of new lanthanide silicates with silico-carnotite structure","Journal of Solid State Chemistry","2012","194","","233","237","10.1016/j.jssc.2012.05.012","powder diffraction","x-ray","0.826005","synchrotron","","","","","","","","0.09981","","1.2","","","","","","","has coordinates","265554","2021-05-27","09:42:16",""
"1562954","9.1793","0.0018","4.5014","0.0009","17.849","0.004","90","","90","","90","","737.5","0.3","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag Ba4 In Se6 -","- Ag Ba4 In Se6 -","- Ag2 Ba8 In2 Se12 -","2","0.25","","Yin, Wenlong; Feng, Kai; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng","Syntheses, structures, and optical properties of Ba4MInSe6 (M=Cu, Ag)","Journal of Solid State Chemistry","2012","192","","168","171","10.1016/j.jssc.2012.03.068","","","0.71073","MoKα","","0.0406","0.0303","","","0.0542","0.0578","","","","","","1.028","","","","has coordinates","265582","2021-05-28","09:39:15",""
"1562955","9.1181","0.0018","4.472","0.0009","17.681","0.003","90","","90","","90","","721","0.2","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba4 Cu In Se6 -","- Ba4 Cu In Se6 -","- Ba8 Cu2 In2 Se12 -","2","0.25","","Yin, Wenlong; Feng, Kai; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng","Syntheses, structures, and optical properties of Ba4MInSe6 (M=Cu, Ag)","Journal of Solid State Chemistry","2012","192","","168","171","10.1016/j.jssc.2012.03.068","","","0.71073","MoKα","","0.0506","0.0408","","","0.0858","0.09","","","","","","1.122","","","","has coordinates","265582","2021-05-28","09:39:18",""
"1562979","5.53607","0.00004","7.7056","0.00006","5.36741","0.00004","90","","90","","90","","228.967","0.003","","","300","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F3 Na Ni -","- F3 Na Ni -","- F12 Na4 Ni4 -","4","0.5","","Shirako, Y.; Shi, Y.G.; Aimi, A.; Mori, D.; Kojitani, H.; Yamaura, K.; Inaguma, Y.; Akaogi, M.","High-pressure stability relations, crystal structures, and physical properties of perovskite and post-perovskite of NaNiF3","Journal of Solid State Chemistry","2012","191","","167","174","10.1016/j.jssc.2012.03.004","powder diffraction","","0.51973","synchrotron","","0.01688","","","","","","0.01688","0.02768","0.5353","","","","","","","has coordinates","265624","2021-05-31","07:36:27",""
"1563113","7.8813","0.0002","4.7369","0.0001","9.436","0.0002","90","","90","","90","","352.274","0.014","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Barium chloride - alpha","","- Ba Cl2 -","- Ba Cl2 -","- Ba4 Cl8 -","4","0.5","","Hull, Stephen; Norberg, Stefan T.; Ahmed, Istaq; Eriksson, Sten G.; Mohn, Chris E.","High temperature crystal structures and superionic properties of SrCl2, SrBr2, BaCl2 and BaBr2","Journal of Solid State Chemistry","2011","184","11","2925","2935","10.1016/j.jssc.2011.09.004","","","","","","0.0143","","","","","","","","","","","","","","","has coordinates","265709","2021-06-03","08:10:57",""
"1563114","8.2756","0.0001","4.9599","0.0001","9.9264","0.0002","90","","90","","90","","407.44","0.013","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Barium bromide","","- Ba Br2 -","- Ba Br2 -","- Ba4 Br8 -","4","0.5","","Hull, Stephen; Norberg, Stefan T.; Ahmed, Istaq; Eriksson, Sten G.; Mohn, Chris E.","High temperature crystal structures and superionic properties of SrCl2, SrBr2, BaCl2 and BaBr2","Journal of Solid State Chemistry","2011","184","11","2925","2935","10.1016/j.jssc.2011.09.004","","","","","","0.0178","","","","","","","","","","","","","","","has coordinates","265709","2021-06-03","08:11:08",""
"1563177","4.52","0.003","5.8014","0.0017","4.009","0.004","90","","90","","90","","105.13","0.13","293","","293","","","","","","","","high-pressure high-temperature synthesis","2","P n m a","-P 2ac 2n","62","Nickel carbide (3/1)","Nickel carbide (3/1)","","- C Ni3 -","- C Ni3 -","- C4 Ni12 -","4","0.5","","Fedotenko, Timofey; Khandarkhaeva, Saiana; Dubrovinsky, Leonid; Glazyrin, Konstantin; Sedmak, Pavel; Dubrovinskaia, Natalia","Synthesis and Compressibility of Novel Nickel Carbide at Pressures of Earth’s Outer Core","Minerals","2021","11","5","516","","10.3390/min11050516","","x-ray","0.2895","synchrotron","","0.1167","0.0659","","","0.1321","0.1571","","","","1.77","1.77","1.34","","","","has coordinates","266198","2021-06-06","07:34:28",""
"1563183","8.297","0.0017","7.596","0.0015","17.268","0.004","90","","90","","90","","1088.3","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Lithiumborate","","","- B3 Li O5 -","- B3 Li O5 -","- B48 Li16 O80 -","16","2","","Neumair, Stephanie C.; Vanicek, Stefan; Kaindl, Reinhard; Többens, Daniel M.; Wurst, Klaus; Huppertz, Hubert","High-pressure synthesis and crystal structure of the lithium borate HP-LiB3O5","Journal of Solid State Chemistry","2011","184","9","2490","2497","10.1016/j.jssc.2011.07.011","","","0.71073","MoKα","","0.0358","0.03","","","0.0772","0.0808","","","","","","1.038","","","","has coordinates","266213","2021-06-07","08:41:27",""
"1563212","18.2127","0.0009","11.1669","0.0005","14.4705","0.0007","90","","90","","90","","2943","0.2","298","2","571","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Thorium Sulfate Hydroxide Hydrate","","- H18 O38 S7 Th4 -","- O38 S7 Th4 -","- O152 S28 Th16 -","4","0.5","","Albrecht, Amanda J.; Sigmon, Ginger E.; Moore-Shay, Laura; Wei, Rebecca; Dawes, Colleen; Szymanowski, Jennifer; Burns, Peter C.","The crystal chemistry of four thorium sulfates","Journal of Solid State Chemistry","2011","184","7","1591","1597","10.1016/j.jssc.2011.04.024","","","0.71073","MoKα","","0.0426","0.0306","","","0.0648","0.0694","","","","","","1.032","","","","has coordinates","266258","2021-06-08","08:22:48",""
"1563244","12.5908","0.0002","11.6298","0.0003","8.2704","0.0002","90","","90","","90","","1211.02","0.05","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","cobalt-zinc stannide","","","- Co7 Sn8 Zn3 -","- Co6.808 Sn8 Zn3 -","- Co27.232 Sn32 Zn12 -","4","0.5","","Reynolds, Patricia C.; Stojanovic, Milorad; Latturner, Susan E.","Flux growth of a new cobalt‒zinc‒tin ternary phase Co7+xZn3−xSn8 and its relationship to CoSn","Journal of Solid State Chemistry","2011","184","7","1875","1881","10.1016/j.jssc.2011.05.019","","","0.71073","MoKα","","0.058","0.0347","","","0.0869","0.0968","","","","","","1.056","","","","has coordinates","266291","2021-06-09","07:41:02",""
"1563316","10.131","0.0006","6.6921","0.0005","15.405","0.001","90","","90","","90","","1044.42","0.12","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H9 F N2 O3 -","- C10 H9 F N2 O3 -","- C40 H36 F4 N8 O12 -","4","0.5","","Winterson, Bethan; Rennigholtz, Tim; Wirth, Thomas","Flow electrochemistry: a safe tool for fluorine chemistry","Chemical Science","2021","","","","","10.1039/D1SC02123K","","","1.54184","CuKα","","0.0589","0.0478","","","0.126","0.1433","","","","","","1.04","","","","has coordinates","266371","2021-06-11","01:00:12",""
"1563341","12.6368","0.0007","9.5556","0.0006","8.3736","0.0005","90","","90","","90","","1011.13","0.1","295","2","295","2","","","","","","","","3","P n m a","-P 2ac 2n","62","cerium silicon bismuthide (5/1/2)","cerium silicon bismuthide (5/1/2)","","- Bi2.13 Ce5 Si0.88 -","- Bi2.131 Ce5 Si0.869 -","- Bi8.524 Ce20 Si3.476 -","4","0.5","","Barry, Stephen D.; Tkachuk, Andriy V.; Bie, Haiying; Blanchard, Peter E.R.; Mar, Arthur","Ternary rare-earth bismuthides RE5SiBi2 and RE5GeBi2 (RE=La‒Nd, Gd‒Er): Stabilization of the β-Yb5Sb3-type structure through tetrel substitution","Journal of Solid State Chemistry","2011","184","1","21","29","10.1016/j.jssc.2010.10.007","","","0.71073","MoKα","","0.0532","0.0435","","","0.0928","0.0958","","","","","","1.134","","","","has coordinates","266395","2021-06-11","07:25:15",""
"1563501","12.361","0.004","3.9269","0.0009","5.4194","0.0011","90","","90","","90","","263.06","0.12","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B0.67 O2.66 Si0.33 Sr -","- B0.67 O2.66 Si0.33 Sr -","- B2.68 O10.64 Si1.32 Sr4 -","4","0.5","","Krzhizhanovskaya, M.G.; Bubnova, R.S.; Krivovichev, S.V.; Belousova, O.L.; Filatov, S.K.","Synthesis, crystal structure and thermal behavior of Sr3B2SiO8 borosilicate","Journal of Solid State Chemistry","2010","183","10","2352","2357","10.1016/j.jssc.2010.07.029","","","0.71073","MoKα","","0.0702","0.0638","","","0.1293","0.1332","","","","","","1.179","","","","has coordinates","266473","2021-06-15","08:38:46",""
"1563518","18.384","0.009","6.003","0.003","14.898","0.008","90","","90","","90","","1644.1","1.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Lu3 Mn Sn4.79 -","- Lu3 Mn Sn4.7925 -","- Lu24 Mn8 Sn38.34 -","8","1","","Lei, Xiao-Wu; Hu, Chun-Li; Mao, Jiang-Gao","Syntheses and crystal structures of RE3MnSn5−x (RE=Tm, Lu) with 3D Mn‒Sn framework","Journal of Solid State Chemistry","2010","183","9","2032","2039","10.1016/j.jssc.2010.07.003","","","0.71073","MoKα","","0.0408","0.0345","","","0.0639","0.0667","","","","","","1.148","","","","has coordinates","266489","2021-06-16","08:59:56",""
"1563519","18.417","0.004","6.0453","0.0012","14.939","0.003","90","","90","","90","","1663.3","0.6","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Lu3 Mn Sn4.95 -","- Lu3 Mn Sn4.9475 -","- Lu24 Mn8 Sn39.58 -","8","1","","Lei, Xiao-Wu; Hu, Chun-Li; Mao, Jiang-Gao","Syntheses and crystal structures of RE3MnSn5−x (RE=Tm, Lu) with 3D Mn‒Sn framework","Journal of Solid State Chemistry","2010","183","9","2032","2039","10.1016/j.jssc.2010.07.003","","","0.71073","MoKα","","0.0229","0.0187","","","0.0422","0.0433","","","","","","1.125","","","","has coordinates","266489","2021-06-16","08:59:59",""
"1563520","18.4494","0.0012","6.0128","0.0004","14.9328","0.0008","90","","90","","90","","1656.53","0.18","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Mn Sn4.71 Tm3 -","- Mn Sn4.7095 Tm3 -","- Mn8 Sn37.676 Tm24 -","8","1","","Lei, Xiao-Wu; Hu, Chun-Li; Mao, Jiang-Gao","Syntheses and crystal structures of RE3MnSn5−x (RE=Tm, Lu) with 3D Mn‒Sn framework","Journal of Solid State Chemistry","2010","183","9","2032","2039","10.1016/j.jssc.2010.07.003","","","0.71073","MoKα","","0.0274","0.0255","","","0.0539","0.0548","","","","","","1.155","","","","has coordinates","266489","2021-06-16","09:00:00",""
"1563521","18.495","0.006","6.0619","0.0018","14.976","0.004","90","","90","","90","","1679","0.9","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Mn Sn4.84 Tm3 -","- Mn Sn4.836 Tm3 -","- Mn8 Sn38.688 Tm24 -","8","1","","Lei, Xiao-Wu; Hu, Chun-Li; Mao, Jiang-Gao","Syntheses and crystal structures of RE3MnSn5−x (RE=Tm, Lu) with 3D Mn‒Sn framework","Journal of Solid State Chemistry","2010","183","9","2032","2039","10.1016/j.jssc.2010.07.003","","","0.71073","MoKα","","0.0332","0.0292","","","0.0526","0.0541","","","","","","1.174","","","","has coordinates","266489","2021-06-16","09:00:02",""
"1563543","5.36251","0.00012","7.51541","0.00018","5.25046","0.00013","90","","90","","90","","211.601","0.009","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O3 Sc2 W -","- O3 Sc2 W -","- O12 Sc8 W4 -","4","0.5","","Varga, Tamas; Mitchell, J.F.; Wang, Jun; Arnold, Lindsay G.; Toby, Brian H.; Malliakas, Christos D.","High-pressure synthesis, crystal and electronic structures of a new scandium tungstate, Sc0.67WO4","Journal of Solid State Chemistry","2010","183","7","1567","1573","10.1016/j.jssc.2010.04.039","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","266527","2021-06-17","08:52:39",""
"1563573","7.1775","0.0002","6.9335","0.0002","5.4406","0.0002","90","","90","","90","","270.753","0.015","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","YbPd2Si","YbPd2Si","","- Pd2 Si Yb -","- Pd2 Si Yb -","- Pd8 Si4 Yb4 -","4","0.5","","Gribanov, Alexander; Grytsiv, Andriy; Rogl, Peter; Seropegin, Yurii; Giester, Gerald","X-ray structural study of intermetallic alloys RT2Si and RTSi2 (R=rare earth, T=noble metal)","Journal of Solid State Chemistry","2010","183","6","1278","1289","10.1016/j.jssc.2010.03.038","","","0.71069","MoKα","","0.0226","0.0194","","","0.0457","0.0475","","","","","","1.077","","","","has coordinates","266560","2021-06-18","08:38:48",""
"1563574","7.1841","0.0002","6.9151","0.0002","5.4098","0.0002","90","","90","","90","","268.752","0.015","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","YbPt2Si","YbPt2Si","","- Pt8 Si4 Yb4 -","- Pt8 Si4 Yb4 -","- Pt8 Si4 Yb4 -","1","0.125","","Gribanov, Alexander; Grytsiv, Andriy; Rogl, Peter; Seropegin, Yurii; Giester, Gerald","X-ray structural study of intermetallic alloys RT2Si and RTSi2 (R=rare earth, T=noble metal)","Journal of Solid State Chemistry","2010","183","6","1278","1289","10.1016/j.jssc.2010.03.038","","","0.71069","MoKα","","0.0289","0.025","","","0.0645","0.0667","","","","","","1.092","","","","has coordinates","266560","2021-06-18","08:38:48",""
"1563648","21.213","0.006","4.1619","0.0011","13.64","0.004","90","","90","","90","","1204.2","0.6","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","tin bismuth selenium (3/2/6)","","- Bi2 Se6 Sn3 -","- Bi2 Se6 Sn3 -","- Bi8 Se24 Sn12 -","4","0.5","","Chen, Kuei-Bo; Lee, Chi-Shen","Experimental and theoretical studies of Sn3−δPbδBi2Se6 (δ=0.0‒0.7)","Journal of Solid State Chemistry","2010","183","4","807","813","10.1016/j.jssc.2010.01.011","","","0.71073","MoKα","","0.0582","0.0556","","","0.1303","0.1311","","","","","","1.847","","","","has coordinates","266633","2021-06-23","08:30:24",""
"1563649","21.373","0.004","4.1898","0.0008","13.69","0.002","90","","90","","90","","1225.9","0.4","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","tin lead bismuth selenium (2.9/0.1/2/6)","","- Bi2 Pb0.1 Se6 Sn2.9 -","- Bi1.884 Pb0.186 Se6 Sn2.93 -","- Bi7.536 Pb0.744 Se24 Sn11.72 -","4","0.5","","Chen, Kuei-Bo; Lee, Chi-Shen","Experimental and theoretical studies of Sn3−δPbδBi2Se6 (δ=0.0‒0.7)","Journal of Solid State Chemistry","2010","183","4","807","813","10.1016/j.jssc.2010.01.011","","","0.71073","MoKα","","0.0364","0.031","","","0.0746","0.0768","","","","","","1.043","","","","has coordinates","266633","2021-06-23","08:30:27",""
"1563650","21.365","0.006","4.1902","0.0011","13.741","0.004","90","","90","","90","","1230.1","0.6","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","tin lead bismuth selenium (2.7/0.3/2/6)","","- Bi2 Pb0.3 Se6 Sn2.7 -","- Bi1.998 Pb0.318 Se6 Sn2.684 -","- Bi7.992 Pb1.272 Se24 Sn10.736 -","4","0.5","","Chen, Kuei-Bo; Lee, Chi-Shen","Experimental and theoretical studies of Sn3−δPbδBi2Se6 (δ=0.0‒0.7)","Journal of Solid State Chemistry","2010","183","4","807","813","10.1016/j.jssc.2010.01.011","","","0.71073","MoKα","","0.0442","0.0331","","","0.072","0.0763","","","","","","1.001","","","","has coordinates","266633","2021-06-23","08:30:36",""
"1563651","21.399","0.008","4.199","0.0015","13.797","0.005","90","","90","","90","","1239.7","0.8","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","tin lead bismuth selenium (2.5/0.5/2/6)","","- Bi2 Pb0.5 Se6 Sn2.5 -","- Bi2.088 Pb0.416 Se6 Sn2.496 -","- Bi8.352 Pb1.664 Se24 Sn9.984 -","4","0.5","","Chen, Kuei-Bo; Lee, Chi-Shen","Experimental and theoretical studies of Sn3−δPbδBi2Se6 (δ=0.0‒0.7)","Journal of Solid State Chemistry","2010","183","4","807","813","10.1016/j.jssc.2010.01.011","","","0.71073","MoKα","","0.0628","0.0467","","","0.1193","0.1282","","","","","","1.059","","","","has coordinates","266633","2021-06-23","08:30:39",""
"1563652","21.235","0.009","4.198","0.0017","13.846","0.006","90","","90","","90","","1234.3","0.9","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","tin lead bismuth selenium (2.3/0.7/2/6)","","- Bi2 Pb0.7 Se6 Sn2.3 -","- Bi2.234 Pb0.666 Se6 Sn2.1 -","- Bi8.936 Pb2.664 Se24 Sn8.4 -","4","0.5","","Chen, Kuei-Bo; Lee, Chi-Shen","Experimental and theoretical studies of Sn3−δPbδBi2Se6 (δ=0.0‒0.7)","Journal of Solid State Chemistry","2010","183","4","807","813","10.1016/j.jssc.2010.01.011","","","0.71073","MoKα","","0.0741","0.0493","","","0.0975","0.1093","","","","","","1.114","","","","has coordinates","266633","2021-06-23","08:30:48",""
"1563690","17.964","0.003","3.5869","0.0007","11.262","0.002","90","","90","","90","","725.7","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- As3 Hf3.3 Nb3.7 -","- As1.71429 Hf1.89029 Nb2.10971 -","- As12 Hf13.232 Nb14.768 -","7","0.875","","Chumak, Igor; Warczok, Piotr; Richter, Klaus W.","The crystal structures of Hf3±δNb4±δAs3 and Hf7.2Nb3.8As4: Members of a homologous series combining W-type, Mg-type and AlB2-type building blocks","Journal of Solid State Chemistry","2010","183","3","557","564","10.1016/j.jssc.2009.12.028","","","0.71073","MoKα","","0.0587","0.0501","","","0.1253","0.1294","","","","","","1.092","","","","has coordinates","266666","2021-06-24","10:04:50",""
"1563774","32.433","0.008","4.7417","0.0008","6.262","0.0009","90","","90","","90","","963","0.3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au1.05 Cd0.28 Sr1.33 -","- Au1.04667 Cd0.286667 Sr1.33333 -","- Au12.56 Cd3.44 Sr16 -","12","1.5","","Harms, Wiebke; Dürr, Ines; Daub, Michael; Röhr, Caroline","(Ca/Sr)AuxCd1−x: Stacking variants of the CrB‒FeB series","Journal of Solid State Chemistry","2010","183","1","157","167","10.1016/j.jssc.2009.10.027","","","0.7107","MoKα","","0.1825","0.0682","","","0.1904","0.2234","","","","","","0.875","","","","has coordinates","266772","2021-06-29","09:46:43",""
"1563777","5.51202","0.00009","3.49468","0.00007","24.3086","0.0004","90","","90","","90","","468.25","0.014","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Mo Pt3 Si4 -","- Mo Pt3 Si4 -","- Mo4 Pt12 Si16 -","4","0.5","","Joubert, J.-M.; Tokaychuk, Ya.; Černý, R.","Crystal structures of three intermetallic phases in the Mo‒Pt‒Si system","Journal of Solid State Chemistry","2010","183","1","173","179","10.1016/j.jssc.2009.11.006","powder diffraction","","","CuKα","","","","","","","","","3.9761","","","","","","","","has coordinates","266773","2021-06-29","10:09:23",""
"1564282","12.203","0.0011","22.28","0.002","10.5341","0.001","90","","90","","90","","2864","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Co2 H38 N O32 P4 Ru2 -","- Co2 H38 N O32 P4 Ru2 -","- Co8 H152 N4 O128 P16 Ru8 -","4","0.5","","Wang, Lin-Lin; Ding, Tuo; Xue, Xiang-Xian; Yang, Jian-Hui; Liu, Bin","A series of C-Shaped heterometallic Diruthenium(II,III) phosphates: NH4[{M(H2O)5}2Ru2(HPO4)2(PO4)2(H2O)2]·4H2O (M = Mg, Co, Ni and Zn)","Inorganica Chimica Acta","2020","510","","119730","","10.1016/j.ica.2020.119730","","","0.71073","MoKα","","0.0314","0.0275","","","0.076","0.0784","","","","","","1.063","","","","has coordinates","267852","2021-07-31","08:09:15",""
"1564283","12.2322","0.0011","22.237","0.0019","10.5585","0.0009","90","","90","","90","","2872","0.4","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- H38 Mg2 N O32 P4 Ru2 -","- H38 Mg2 N O32 P4 Ru2 -","- H152 Mg8 N4 O128 P16 Ru8 -","4","0.5","","Wang, Lin-Lin; Ding, Tuo; Xue, Xiang-Xian; Yang, Jian-Hui; Liu, Bin","A series of C-Shaped heterometallic Diruthenium(II,III) phosphates: NH4[{M(H2O)5}2Ru2(HPO4)2(PO4)2(H2O)2]·4H2O (M = Mg, Co, Ni and Zn)","Inorganica Chimica Acta","2020","510","","119730","","10.1016/j.ica.2020.119730","","","0.71073","MoKα","","0.039","0.0324","","","0.085","0.089","","","","","","1.074","","","","has coordinates","267853","2021-07-31","08:10:58",""
"1564284","12.2254","0.0012","22.192","0.002","10.4785","0.0011","90","","90","","90","","2842.9","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- H38 N Ni2 O32 P4 Ru2 -","- H38 N Ni2 O32 P4 Ru2 -","- H152 N4 Ni8 O128 P16 Ru8 -","4","0.5","","Wang, Lin-Lin; Ding, Tuo; Xue, Xiang-Xian; Yang, Jian-Hui; Liu, Bin","A series of C-Shaped heterometallic Diruthenium(II,III) phosphates: NH4[{M(H2O)5}2Ru2(HPO4)2(PO4)2(H2O)2]·4H2O (M = Mg, Co, Ni and Zn)","Inorganica Chimica Acta","2020","510","","119730","","10.1016/j.ica.2020.119730","","","0.71073","MoKα","","0.0456","0.0427","","","0.1146","0.1168","","","","","","1.089","","","","has coordinates","267854","2021-07-31","08:12:05",""
"1564285","12.2245","0.0012","22.263","0.002","10.517","0.0009","90","","90","","90","","2862.2","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- H38 N O32 P4 Ru2 Zn2 -","- H38 N O32 P4 Ru2 Zn2 -","- H152 N4 O128 P16 Ru8 Zn8 -","4","0.5","","Wang, Lin-Lin; Ding, Tuo; Xue, Xiang-Xian; Yang, Jian-Hui; Liu, Bin","A series of C-Shaped heterometallic Diruthenium(II,III) phosphates: NH4[{M(H2O)5}2Ru2(HPO4)2(PO4)2(H2O)2]·4H2O (M = Mg, Co, Ni and Zn)","Inorganica Chimica Acta","2020","510","","119730","","10.1016/j.ica.2020.119730","","","0.71073","MoKα","","0.0338","0.0293","","","0.075","0.0772","","","","","","1.074","","","","has coordinates","267855","2021-07-31","08:13:32",""
"1564303","15.054","0.003","7.0712","0.0012","18.941","0.004","90","","90","","90","","2016.3","0.7","353.15","","353.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H N5 Ni S4 -","- C14 N5 Ni S4 -","- C56 N20 Ni4 S16 -","4","0.5","","Qian, Yin; Yao, Wan-Wan; Shao, Dong-Sheng; Zhang, Jin; Ren, Xiao-Ming","Two Ongoing Magnetic Transitions Originating from Spin-Peierls Dimerization and Cation Orientation Transformation in an S = 1/2 Spin Chain System","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c04863","","","0.71073","MoKα","","0.3065","0.1049","","","0.2042","0.2965","","","","","","1.047","","","","has coordinates","267874","2021-07-31","23:53:26",""
"1564304","14.3949","0.0008","6.9372","0.0003","19.6112","0.0011","90","","90","","90","","1958.38","0.18","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H14 N5 Ni S4 -","- C14 H14 N5 Ni S4 -","- C56 H56 N20 Ni4 S16 -","4","0.5","","Qian, Yin; Yao, Wan-Wan; Shao, Dong-Sheng; Zhang, Jin; Ren, Xiao-Ming","Two Ongoing Magnetic Transitions Originating from Spin-Peierls Dimerization and Cation Orientation Transformation in an S = 1/2 Spin Chain System","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c04863","","","0.71073","MoKα","","0.1205","0.0544","","","0.1128","0.131","","","","","","1.173","","","","has coordinates","267875","2021-07-31","23:54:07",""
"1564337","12.7304","0.0006","14.6636","0.0006","9.7331","0.0004","90","","90","","90","","1816.91","0.14","173","","173","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H31 B O2 Si -","- C14 H31 B O2 Si -","- C56 H124 B4 O8 Si4 -","4","0.5","","Takeuchi, Takumi; Shishido, Ryosuke; Kubota, Koji; Ito, Hajime","Synthesis of hydrosilylboronates via the monoborylation of a dihydrosilane Si‒H bond and their application for the generation of dialkylhydrosilyl anions","Chemical Science","2021","","","","","10.1039/D1SC01440D","","x-ray","0.71073","MoKα","","0.0948","0.0772","","","0.2346","0.2568","","","","","","1.043","","","","has coordinates,has disorder","268011","2021-08-10","22:17:13",""
"1564477","21.2157","0.0009","11.3247","0.0005","15.6853","0.0007","90","","90","","90","","3768.6","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 Ge4 In N8 O S13 -","- C12 Ge4 In N8 O S13 -","- C48 Ge16 In4 N32 O4 S52 -","4","0.5","","Yu, Ji-Ming; Cai, Ting; Ma, Zhong-Jie; Wang, Fei; Wang, Huan; Yu, Ji-Peng; Xiao, Lu-Lu; Cheng, Fang-Fang; Xiong, Wei-Wei","Using thiol-amine solvent mixture to prepare main group heterometallic chalcogenides","Inorganica Chimica Acta","2020","509","","119698","","10.1016/j.ica.2020.119698","","","0.71073","MoKα","","0.1603","0.0866","","","0.2165","0.2747","","","","","","1.058","","","","has coordinates","268319","2021-08-31","08:41:52",""
"1564851","7.141","0.0001","23.8599","0.0004","12.48922","0.00019","90","","90","","90","","2127.96","0.06","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H18 Cu N4 O8 S2 -","- C17 H18 Cu N4 O8 S2 -","- C68 H72 Cu4 N16 O32 S8 -","4","0.5","","Toikka, Yulia N.; Spiridonova, Dar’ya V.; Novikov, Alexander S.; Bokach, Nadezhda A.","Copper(II) Prevents the Saccarine-Dialkylcyanamide Coupling by Forming Mononuclear (Saccharinate)(Dialkylcyanamide)copper(II) Complexes","Inorganics","2021","9","9","69","","10.3390/inorganics9090069","","x-ray","1.54184","CuKα","","0.0357","0.0338","","","0.0929","0.0951","","","","","","1.05","","","","has coordinates","269813","2021-10-06","23:46:30",""
"1564855","13.859","0.002","13.042","0.002","8.2384","0.0013","90","","90","","90","","1489.1","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H21 N3 O3 W -","- C12 H18 N3 O3 W -","- C48 H72 N12 O12 W4 -","4","0.5","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0504","0.0389","","","0.0917","0.0976","","","","","","0.868","","","","has coordinates","269820","2021-10-07","07:20:24",""
"1564856","13.931","0.006","13.025","0.006","8.356","0.004","90","","90","","90","","1516.2","1.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H21 Mo N3 O3 -","- C12 H21 Mo N3 O3 -","- C48 H84 Mo4 N12 O12 -","4","0.5","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.222","0.0401","","","0.1204","0.1736","","","","","","1.227","","","","has coordinates","269821","2021-10-07","07:21:30",""
"1564887","6.4334","0.0004","30.109","0.002","9.1569","0.0007","90","","90","","90","","1773.7","0.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H12 Cu2 N8 O6 S3 -","- C9 H12 Cu2 N8 O6 S3 -","- C36 H48 Cu8 N32 O24 S12 -","4","0.5","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0471","0.0395","","","0.114","0.1312","","","","","","1.154","","","","has coordinates","269851","2021-10-07","08:38:31",""
"1564913","19.4334","0.0019","7.2431","0.0007","8.7675","0.0009","90","","90","","90","","1234.1","0.2","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H11 Fe N O5 -","- C11 H11 Fe N O5 -","- C44 H44 Fe4 N4 O20 -","4","0.5","","Bara, Dominic; Meekel, Emily G.; Pakamorė, Ignas; Wilson, Claire; Ling, Sanliang; Forgan, Ross S.","Exploring and expanding the Fe-terephthalate metal-organic framework phase space by coordination and oxidation modulation.","Materials horizons","2021","8","12","3377","3386","10.1039/d1mh01663f","","","0.71073","MoKα","","0.0357","0.0323","","","0.0939","0.0967","","","","","","1.119","","","","has coordinates,has disorder","271237","2021-12-07","04:03:54",""
"1564942","7.21024","0.00018","16.4876","0.0005","11.2792","0.0003","90","","90","","90","","1340.87","0.06","100","0.11","100","0.11","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","0.5","FC5056","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","x-ray","0.71073","MoKα","","0.0759","0.0374","","","0.0554","0.0616","","","","","","0.9394","","","","has coordinates","269978","2021-10-16","02:10:39",""
"1564943","7.2462","0.0011","16.536","0.003","11.255","0.003","90","","90","","90","","1348.6","0.5","293.4","0.5","293.4","0.5","","","247000","","","Pressurized to 0.2 GPa and left to stabilize over 24 hours.","","3","P n m a","-P 2ac 2n","62","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","0.5","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","","0.71073","MoKα","","0.1329","0.0547","","","0.108","0.1352","","","","","","1.0221","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1564944","7.15","0.01","16.17","0.03","11.288","0.009","90","","90","","90","","1305","3","295.4","0.6","295.4","0.6","","","520500","","","Pressurized to 0.5 GPa and left to stabilize over 24 hours.","","3","P n m a","-P 2ac 2n","62","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","0.5","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","","0.71073","MoKα","","0.0932","0.0341","","","0.0487","0.0602","","","","","","0.9283","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1564945","7.0642","0.0011","16.22","0.002","11.165","0.002","90","","90","","90","","1279.3","0.3","289","10","289","10","","","782500","","","Pressurized to 0.8 GPa and left to stabilize over 24 hours.","","3","P n m a","-P 2ac 2n","62","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","0.5","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","","0.71073","MoKα","","0.135","0.0561","","","0.1229","0.1529","","","","","","1.0348","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1565036","6.2609","","4.8594","","8.4881","","90","","90","","90","","258.244","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","Calcium orthocarbonate","","","- C Ca2 O4 -","- C Ca2 O4 -","- C4 Ca8 O16 -","4","0.5","","D. Sagatova; A. Shatskiy; N. Sagatov; P.N. Gavryushkin; K.D. Litasov","Calcium orthocarbonate, Ca2CO4-Pnma: A potential host for subducting carbon in the transition zone and lower mantle","Lithos","2020","","","105637","","10.1016/j.lithos.2020.105637","","","","","","","","","","","","","","","","","","","","","has coordinates","270077","2021-10-25","10:09:08",""
"1565263","12.54","0.003","7.6545","0.0016","5.8345","0.0012","90","","90","","90","","560","0.2","300","2","300","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li Mn P S4 -","- Li Mn P S4 -","- Li4 Mn4 P4 S16 -","4","0.5","","Balijapelly, Srikanth; Ghosh, Kartik; Chernatynskiy, Aleksandr V.; Choudhury, Amitava","Discovery of an olivine-type lithium manganese thiophosphate, LiMnPS <sub>4</sub> , <i>via</i> a building block approach","Chemical Communications","2021","57","97","13182","13185","10.1039/D1CC05168G","","","0.71073","MoKα","","0.0395","0.033","","","0.0806","0.0852","","","","","","1.112","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1565440","12.1766","0.0003","27.7685","0.0006","4.2881","0.0001","90","","90","","90","","1449.92","0.06","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H14 Cl2 N4 Pd -","- C14 H14 Cl2 N4 Pd -","- C56 H56 Cl8 N16 Pd4 -","4","0.5","","Repina, Olga V.; Novikov, Alexander S.; Khoroshilova, Olesya V.; Kritchenkov, Andreii S.; Vasin, Alexander A.; Tskhovrebov, Alexander G.","Lasagna-like supramolecular polymers derived from the PdII osazone complexes via C(sp2)–H⋯Hal hydrogen bonding","Inorganica Chimica Acta","2020","502","","119378","","10.1016/j.ica.2019.119378","","x-ray","1.54184","CuKα","","0.047","0.0453","","","0.1274","0.1294","","","","","","1.095","","","","has coordinates","270933","2021-11-30","09:36:00",""
"1565663","15.8956","0.0003","24.908","0.0005","8.4943","0.0007","90","","90","","90","","3363.1","0.3","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H60 B Er O Si2 -","- C30 H60 B Er O Si2 -","- C120 H240 B4 Er4 O4 Si8 -","4","0.5","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","x-ray","0.71073","MoKα","","0.0279","0.0232","","","0.0591","0.0599","","","","","","0.991","","","","has coordinates,has disorder","272578","2022-02-04","19:12:27",""
"1565801","11.532","0.002","9.3559","0.0018","16.905","0.003","90","","90","","90","","1823.9","0.6","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C21 H19 N O5 -","- C21 H19 N O5 -","- C84 H76 N4 O20 -","4","0.5","","Azmi, Nurul I.; Zhan, Shun-Ze; Li, Jing-Hong; Razali, Mohd. R.","Metal complexes based on substituted aliphatic acid derived from a Diels-Alder adduct: Synthesis and potential ratiometric luminescent temperature sensor of d10 complex","Inorganica Chimica Acta","2019","498","","119167","","10.1016/j.ica.2019.119167","","","0.71073","MoKα","","0.1419","0.0807","","","0.2202","0.2657","","","","","","1.027","","","","has coordinates","271528","2021-12-20","10:10:55",""
"1565876","10.697","0.004","6.2545","0.0007","8.8012","0.001","90","","90","","90","","588.8","0.2","296","2","296","","","","240000","","","","","4","P n m a","-P 2ac 2n","62","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","0.5","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0495","0.0249","","","0.0378","0.0431","","","","","","1.081","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565877","10.654","0.003","6.1954","0.0006","8.7823","0.0008","90","","90","","90","","579.68","0.18","296","2","296","","","","490000","","","","","4","P n m a","-P 2ac 2n","62","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","0.5","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0567","0.0292","","","0.0565","0.0659","","","","","","1.135","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565884","10.668","0.002","6.2042","0.0007","8.78","0.004","90","","90","","90","","581.1","0.3","296","2","296","2","","","540000","","","","","4","P n m a","-P 2ac 2n","62","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","0.5","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0693","0.0382","","","0.0817","0.094","","","","","","1.082","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565896","14.2798","0.0008","10.3222","0.0006","7.3243","0.0004","90","","90","","90","","1079.59","0.11","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl5 Cs2 H2 In O -","- Cl5 Cs2 H2 In O -","- Cl20 Cs8 H8 In4 O4 -","4","0.5","","Kshirsagar, Anuraj S.; Arfin, Habibul; Banerjee, Srijita; Mondal, Barnali; Nag, Angshuman","Colloidal Sb3±Doped Cs2InCl5·H2O Perovskite Nanocrystals with Temperature-Dependent Luminescence","The Journal of Physical Chemistry C","2021","125","50","27671","27677","10.1021/acs.jpcc.1c08720","","","0.71073","","","0.0255","0.0239","","","0.0845","0.0875","","","","","","0.79","","","","has coordinates","271776","2022-01-04","02:06:20",""
"1566026","27.808","0.002","19.906","0.0017","13.3851","0.0011","90","","90","","90","","7409.3","1","273.15","","273.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C45 H58 Cl8 Co3 N20 O14 -","- C45 H58 Cl8 Co3 N20 O14 -","- C180 H232 Cl32 Co12 N80 O56 -","4","0.5","","Zheng, Jun; Meng, Ye; Zhang, Lin; Yang, Xinan; Ma, Peihua","Metal-induced different structures of four cyclopentanocucurbit[5]uril-based complexes","Inorganica Chimica Acta","2022","529","","120669","","10.1016/j.ica.2021.120669","","","0.71073","MoKα","","0.0536","0.0494","","","0.1401","0.1428","","","","","","1.037","","","","has coordinates,has disorder","272104","2022-01-18","10:48:41",""
"1566073","21.2609","0.0008","17.4543","0.0008","7.089","0.0003","90","","90","","90","","2630.69","0.19","100","0.5","100","0.5","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C37 H24 S2 -","- C37 H24 S2 -","- C148 H96 S8 -","4","0.5","","Chen, Xuan-Wen; Chu, Ke-Shan; Wei, Rong-Jing; Qiu, Zhen-Lin; Tang, Chun; Tan, Yuan-Zhi","Phenylene segments of zigzag carbon nanotubes synthesized by metal-mediated dimerization","Chemical Science","2022","","","","","10.1039/D1SC05459G","","x-ray","0.71073","MoKα","","0.0631","0.0424","","","0.1139","0.1265","","","","","","1.101","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1566140","12.5963","0.0003","14.7352","0.0004","16.1555","0.0005","90","","90","","90","","2998.61","0.14","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C32 H36 B2 O6 -","- C32 H36 B2 O6 -","- C128 H144 B8 O24 -","4","0.5","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","","1.54184","CuKα","","0.1226","0.0941","","","0.2729","0.2939","","","","","","1.038","","","","has coordinates","272250","2022-01-26","12:50:06",""
"1567010","15.4863","0.0002","22.2936","0.0003","7.21","0.0001","90","","90","","90","","2489.22","0.06","219.9","0.4","219.9","0.4","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,1'-Methylenebis{4-[(<i>E</i>)-2-(pyridin-4-yl)ethenyl]pyridinium} dibromide dihydrate","","- C25 H26 Br2 N4 O2 -","- C25 H26 Br2 N4 O2 -","- C100 H104 Br8 N16 O8 -","4","0.5","BX4021","Neal, Henry C.; Nesterov, Volodymyr V.; Smucker, Bradley W.","1,1'-Methylenebis{4-[(<i>E</i>)-2-(pyridin-4-yl)ethenyl]pyridinium} dibromide dihydrate","IUCrData","2022","7","5","x220525","","10.1107/S2414314622005259","","x-ray","1.54184","CuKα","","0.0414","0.0362","","","0.1006","0.1038","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","275596","2022-05-21","02:16:12",""
"1567316","13.6126","0.0012","17.3901","0.0015","7.9408","0.0007","90","","90","","90","","1879.8","0.3","104","2","104","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H25 N2 O4 Rh S2 -","- C18 H25 N2 O4 Rh S2 -","- C72 H100 N8 O16 Rh4 S8 -","4","0.5","","Suhr, Simon; Walter, Robert Richerd Marten; Beerhues, Julia; Albold, Uta; Sarkar, Biprajit","Rhodium Diamidobenzene Complexes: A Tale of Different Substituents on the Diamidobenzene Ligand","Chemical Science","2022","","","","","10.1039/D2SC03227A","","","0.71073","MoKα","","0.0198","0.0182","","","0.0485","0.0492","","","","","","1.079","","","","has coordinates","276806","2022-07-22","22:56:46",""
"1567357","11.74147","0.00013","11.22116","0.00009","6.35094","0.00005","90","","90","","90","","836.755","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Molybdenumhexacarbonyl","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.62303","synchrotron","","0.0234","0.0231","","","0.0796","0.08","","","","","","1.0215","","","","has coordinates","276902","2022-07-23","04:19:37",""
"1567358","11.74147","0.00013","11.22116","0.00009","6.35094","0.00005","90","","90","","90","","836.755","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.62303","synchrotron","","0.0132","0.0129","","","0.0358","0.036","","","","","","1.0375","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567359","11.74147","0.00013","11.22116","0.00009","6.35094","0.00005","90","","90","","90","","836.755","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.62303","synchrotron","","0.0133","0.013","","","0.036","0.0362","","","","","","1.0451","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567360","11.78656","0.00017","11.2619","0.00012","6.3733","0.00007","90","","90","","90","","845.986","0.018","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61988","synchrotron","","0.037","0.0362","","","0.1141","0.1149","","","","","","0.955","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567361","11.78656","0.00017","11.2619","0.00012","6.3733","0.00007","90","","90","","90","","845.986","0.018","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61988","synchrotron","","0.0282","0.0277","","","0.1007","0.1015","","","","","","1.0106","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567362","11.78656","0.00017","11.2619","0.00012","6.3733","0.00007","90","","90","","90","","845.986","0.018","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61988","synchrotron","","0.0143","0.0137","","","0.0362","0.0366","","","","","","1.0878","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567363","11.7976","0.0002","11.2734","0.0001","6.3799","0.0001","90","","90","","90","","848.52","0.02","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61954","synchrotron","","0.0201","0.0192","","","0.0572","0.0576","","","","","","1.0123","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567364","11.7976","0.0002","11.2734","0.0001","6.3799","0.0001","90","","90","","90","","848.52","0.02","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61954","synchrotron","","0.0227","0.0218","","","0.0682","0.0688","","","","","","1.0078","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567365","11.7976","0.0002","11.2734","0.0001","6.3799","0.0001","90","","90","","90","","848.52","0.02","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61954","synchrotron","","0.0152","0.0143","","","0.0367","0.037","","","","","","1.0632","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567366","11.80112","0.00014","11.27663","0.00009","6.38185","0.00005","90","","90","","90","","849.277","0.014","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","MoCO6_20018_henke","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61936","synchrotron","","0.0288","0.0279","","","0.0944","0.0953","","","","","","1.0119","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567367","11.80112","0.00014","11.27663","0.00009","6.38185","0.00005","90","","90","","90","","849.277","0.014","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61936","synchrotron","","0.0167","0.0157","","","0.0426","0.0431","","","","","","1.043","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567368","11.80112","0.00014","11.27663","0.00009","6.38185","0.00005","90","","90","","90","","849.277","0.014","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61936","synchrotron","","0.016","0.0151","","","0.0399","0.0403","","","","","","1.0548","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567369","11.80973","0.00013","11.28599","0.00008","6.38709","0.00005","90","","90","","90","","851.3","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61902","synchrotron","","0.0211","0.0203","","","0.0638","0.0643","","","","","","1.063","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567370","11.80973","0.00013","11.28599","0.00008","6.38709","0.00005","90","","90","","90","","851.3","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61902","synchrotron","","0.0178","0.0169","","","0.0493","0.0497","","","","","","1.0256","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567371","11.80973","0.00013","11.28599","0.00008","6.38709","0.00005","90","","90","","90","","851.3","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61902","synchrotron","","0.0154","0.0145","","","0.0389","0.0392","","","","","","1.0835","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567372","11.82125","0.00012","11.2974","0.00008","6.39402","0.00005","90","","90","","90","","853.917","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61868","synchrotron","","0.0252","0.0244","","","0.0803","0.0812","","","","","","1.0251","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567373","11.82125","0.00012","11.2974","0.00008","6.39402","0.00005","90","","90","","90","","853.917","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61868","synchrotron","","0.0172","0.0163","","","0.046","0.0465","","","","","","1.0431","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567374","11.82125","0.00012","11.2974","0.00008","6.39402","0.00005","90","","90","","90","","853.917","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61868","synchrotron","","0.0157","0.0149","","","0.0398","0.0402","","","","","","1.0608","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567375","11.8622","0.00011","11.33684","0.00008","6.41647","0.00004","90","","90","","90","","862.886","0.011","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61683","synchrotron","","0.0151","0.0143","","","0.039","0.0394","","","","","","1.0602","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567376","11.8622","0.00011","11.33684","0.00008","6.41647","0.00004","90","","90","","90","","862.886","0.011","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61683","synchrotron","","0.0151","0.0143","","","0.0386","0.0391","","","","","","1.0596","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567377","11.8622","0.00011","11.33684","0.00008","6.41647","0.00004","90","","90","","90","","862.886","0.011","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61683","synchrotron","","0.0148","0.014","","","0.0378","0.0383","","","","","","1.0685","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567383","12.9752","0.0007","6.8244","0.0004","15.5938","0.001","90","","90","","90","","1380.8","0.14","363","","363","","","","","","","","","6","P n m a","-P 2ac 2n","62","","1-bromo-2,3,5,6-tetrafluorobenzenyl(1,3-dimethylimidazolin-2-ylidene)gold complex","","- C11 H8 Au Br F4 N2 -","- C11 H8 Au Br F4 N2 -","- C44 H32 Au4 Br4 F16 N8 -","4","0.5","","Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime","Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes","Chemical Science","2022","13","33","9544","9551","10.1039/D2SC03414J","","x-ray","0.71073","MoKα","","0.0569","0.0387","","","0.1102","0.1187","","","","","","1.058","","","","has coordinates,has disorder","277661","2022-09-06","09:57:20",""
"1567384","12.9715","0.0006","6.8326","0.0003","15.6063","0.0008","90","","90","","90","","1383.17","0.11","363","","363","","","","","","","","","6","P n m a","-P 2ac 2n","62","","1-bromo-2,3,5,6-tetrafluorobenzenyl(1,3-dimethylimidazolin-2-ylidene)gold complex","","- C11 H8 Au Br F4 N2 -","- C11 H8 Au Br F4 N2 -","- C44 H32 Au4 Br4 F16 N8 -","4","0.5","","Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime","Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes","Chemical Science","2022","13","33","9544","9551","10.1039/D2SC03414J","","x-ray","0.71073","MoKα","","0.0565","0.0382","","","0.1062","0.1141","","","","","","1.07","","","","has coordinates,has disorder","277661","2022-09-06","09:57:31",""
"1567454","18.581","0.003","13.756","0.002","16.816","0.003","90","","90","","90","","4298.2","1.2","109","2","109","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 Al F36 I3 O10 Ru2 -","- C21.675 Al F36 I3 O10 Ru2 -","- C86.7 Al4 F144 I12 O40 Ru8 -","4","0.5","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0604","0.0528","","","0.1077","0.1107","","","","","","1.193","","","","has coordinates,has disorder","277655","2022-09-06","09:55:50",""
"1567879","8.3299","0.0004","37.549","0.003","8.4639","0.0005","90","","90","","90","","2647.3","0.3","200","2","200","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H29 Br7 N4 Pb2 -","- C9 H29 Br7 N4 Pb2 -","- C36 H116 Br28 N16 Pb8 -","4","0.5","","Liu, Yi; Xu, Haojie; Liu, Xitao; Han, Shiguo; Guo, Wuqian; Ma, Yu; Fan, Qingshun; Hu, Xinxin; Sun, Zhihua; Luo, Junhua","Room-temperature antiferroelectric in hybrid perovskite enables highly-efficient energy storage at low electric fields","Chemical Science","2022","","","","","10.1039/D2SC05285G","","x-ray","0.71073","MoKα","","0.0774","0.0554","","","0.1474","0.1605","","","","","","1.083","","","","has coordinates","278867","2022-10-29","08:25:38",""
"1567891","8.1205","0.0004","9.2677","0.0004","19.9344","0.0008","90","","90","","90","","1500.23","0.12","253","2","253","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H12 I3 N Pb -","- C8 H12 I3 N Pb -","- C32 H48 I12 N4 Pb4 -","4","0.5","","Febriansyah, Benny; Li, Yongxin; Giovanni, David; Salim, Teddy; Hooper, Thomas J. N.; Sim, Ying; Ma, Daphne; Laxmi, Shoba; Lekina, Yulia; Koh, Teck Ming; Shen, Ze Xiang; Pullarkat, Sumod A.; Sum, Tze Chien; Mhaisalkar, Subodh G.; Ager, Joel W.; Mathews, Nripan","Inorganic frameworks of low-dimensional perovskites dictate the performance and stability of mixed-dimensional perovskite solar cells.","Materials horizons","2023","10","2","536","546","10.1039/d2mh00868h","","","0.71073","MoKα","","0.0667","0.0505","","","0.1208","0.1347","","","","","","1.096","","","","has coordinates","281622","2023-03-04","18:50:42",""
"1568065","21.4239","0.0002","15.2022","0.0002","25.1197","0.0003","90","","90","","90","","8181.25","0.16","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C31 H67.75 O11 Ti2 -","- C31 H67.75 O11 Ti2 -","- C248 H542 O88 Ti16 -","8","1","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti<sub>6</sub>O<sub>6</sub>(OR)<sub>6</sub>(O<sub>2</sub>C <sup><i>t</i></sup> Bu)<sub>6</sub>]: mechanism, photoactivated structures, and onward reactivity with O<sub>2</sub> to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.54184","CuKα","","0.0877","0.0789","","0.2302","0.2212","0.2302","","","","","","0.987","","","","has coordinates,has disorder","281395","2023-03-04","18:04:05",""
"1568153","19.354","0.004","4.2315","0.0009","12.261","0.003","90","","90","","90","","1004.1","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba1.89 Cu5.56 O Se4 -","- Ba1.89 Cu5.476 O Se4 -","- Ba7.56 Cu21.904 O4 Se16 -","4","0.5","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.1819","0.0413","","","0.0864","0.1077","","","","","","0.413","","","","has coordinates","279979","2022-12-21","16:13:02",""
"1568319","16.684","0.0005","19.1264","0.0005","10.702","0.0003","90","","90","","90","","3415.06","0.17","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H54 Cl N3 O3 -","- C32 H54 Cl N3 O3 -","- C128 H216 Cl4 N12 O12 -","4","0.5","","Wang, Shiyu; Zhu, Chenhao; Ning, Lichao; Li, Dawei; Feng, Xiaoming; Dong, Shunxi","Regioselective C-H alkylation of anisoles with olefins by cationic imidazolin-2-iminato scandium(iii) alkyl complexes.","Chemical science","2023","14","12","3132","3139","10.1039/d2sc06725k","","","1.54178","CuKα","","0.1003","0.08","","","0.1887","0.2029","","","","","","1.062","","","","has coordinates,has disorder","282304","2023-04-04","10:04:30",""
"1568386","9.5862","0.0004","3.84427","0.0001","14.3959","0.0005","90","","90","","90","","530.52","0.03","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Se3 Sn Zr -","- Se3 Sn Zr -","- Se12 Sn4 Zr4 -","4","0.5","","Kondrotas, Rokas; Juskenas, Remigijus; Krotkus, Arunas; Pakstas, Vidas; Suchodolskis, Arturas; Mekys, Algirdas; Franckevicius, Marius; Talaikis, Martynas; Muska, Katri; Li, Xiaofeng; Kauk-Kuusik Marit; Kravtsov Victor","Synthesis and physical characteristics of narrow bandgap chalcogenide SnZrSe3","Open Research Europe","2023","2","138","1","12","10.12688/openreseurope.15168.1","","","0.71073","MoKα","","0.0214","0.02","","","0.0506","0.0514","","","","","","1.002","","","","has coordinates","280831","2023-02-08","14:45:15",""
"1568407","13.9435","0.0006","6.5593","0.0003","7.0669","0.0004","90","","90","","90","","646.34","0.05","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C5 H5 Cl2 N -","- C5 H5 Cl2 N -","- C20 H20 Cl8 N4 -","4","0.5","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0322","0.0257","","","0.0589","0.0641","","","","","","1.054","","","","has coordinates","281384","2023-03-04","18:01:13",""
"1568462","9.4517","0.0003","23.2662","0.0004","10.4808","0.0007","90","","90","","90","","2304.78","0.17","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H27 O2 Rh S2 -","- C25 H27 O2 Rh S2 -","- C100 H108 O8 Rh4 S8 -","4","0.5","","Mang, André; Rotthowe, Nils; Beltako, Katawoura; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Single-molecule conductance studies on quasi- and metallaaromatic dibenzoylmethane coordination compounds and their aromatic analogs.","Nanoscale","2023","15","11","5305","5316","10.1039/d2nr05670d","","","0.71073","MoKα","","0.0417","0.0325","","","0.0643","0.0674","","","","","","1.154","","","","has coordinates,has disorder","283372","2023-05-05","02:51:13",""
"1568498","27.4526","0.0015","6.8462","0.0004","18.7535","0.0012","90","","90","","90","","3524.6","0.4","184","2","184","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C33 H33 N3 O -","- C33 H34 N3 O -","- C132 H136 N12 O4 -","4","0.5","","Miao, Fang; Ji, Yu; Han, Bo; Quintero, Sergio Moles; Chen, Hanjiao; Xue, Guodong; Cai, Lulu; Casado, Juan; Zheng, Yonghao","Asymmetric and zwitterionic Blatter diradicals.","Chemical science","2023","14","10","2698","2705","10.1039/d3sc00367a","","","1.54178","CuKα","","0.0795","0.0558","","","0.1653","0.1828","","","","","","1.069","","","","has coordinates","282278","2023-04-04","09:53:01",""
"1568524","11.4539","0.0015","15.5189","0.0019","11.6854","0.001","90","","90","","90","","2077.1","0.4","190","2","190","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H24 Ag Cl N2 O4 -","- C22 H24 Ag Cl N2 O4 -","- C88 H96 Ag4 Cl4 N8 O16 -","4","0.5","","Fahrenhorst-Jones, Tyler; Marshall, David L.; Burns, Jed M.; Pierens, Gregory K.; Hormann, Robert E.; Fisher, Allison M.; Bernhardt, Paul V.; Blanksby, Stephen J.; Savage, G. Paul; Eaton, Philip E.; Williams, Craig M.","1-Azahomocubane.","Chemical science","2023","14","11","2821","2825","10.1039/d3sc00001j","","x-ray","1.54184","CuKα","","0.0591","0.0538","","","0.1552","0.1649","","","","","","1.062","","","","has coordinates,has disorder","282295","2023-04-04","10:01:31",""
"1569256","12.818","0.007","6.851","0.003","12.453","0.005","90","","90","","90","","1093.6","0.9","274","2","274","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H13 I N P -","- C8 H13 I N P -","- C32 H52 I4 N4 P4 -","4","0.5","","Jin, Li; Zhang, Guoqiang; Yang, Xiaoqin; Song, Jinyi; Wang, Jin; Liao, Qian","A synthetic cycle for iminophosphorane synthesis involving direct intermolecular NP bond formation on N<sub>2</sub>-derived molybdenum nitride.","Chemical communications (Cambridge, England)","2023","59","51","7955","7958","10.1039/d3cc01925j","","","0.71073","MoKα","","0.0444","0.0349","","","0.0843","0.0907","","","","","","1.066","","","","has coordinates","284833","2023-07-05","08:45:36",""
"1569291","15.201","0.0018","9.7668","0.0012","13.4419","0.0016","90","","90","","90","","1995.7","0.4","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","dibutyldibut-3-enylammonium hexafluorophosphate","","- C16 H32 F6 N P -","- C16 H32 F6 N P -","- C64 H128 F24 N4 P4 -","4","0.5","","Killeen, Charles; Liu, Jie; Zijlstra, Harmen S.; Maass, Florian; Piers, James; Adams, Reid; Oliver, Allen; McIndoe, J. Scott","Competitive isomerization and catalyst decomposition during ring-closing metathesis","Catalysis Science & Technology","2023","13","13","4000","4008","10.1039/D3CY00065F","","","0.71073","MoKα","","0.1111","0.0867","","","0.2361","0.2583","","","","","","1.055","","","","has coordinates,has disorder","284825","2023-07-05","08:24:15",""
"1569598","10.7498","0.0007","9.0463","0.0008","16.0214","0.0013","90","","90","","90","","1558","0.2","298.45","0.1","298.45","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H16 Cd N4 S3 -","- C9 H16 Cd N4 S3 -","- C36 H64 Cd4 N16 S12 -","4","0.5","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","x-ray","0.71073","MoKα","","0.1031","0.0854","","","0.2717","0.2832","","","","","","1.072","","","","has coordinates,has disorder","286072","2023-09-05","19:22:12",""
"1570036","5.6967","0.001","7.6718","0.001","5.457","0.001","90","","90","","90","","238.49","0.07","200","","200","","","","","","","","","4","P n m a","-P 2ac 2n","62","PrMn0.6Fe0.4O3","","","- Fe1.6 Mn2.4 O12 Pr4 -","- Fe1.6 Mn2.4 O12 Pr4 -","- Fe1.6 Mn2.4 O12 Pr4 -","1","0.125","","Matus Mihalik et al.","Magnetism in PrMn0.6Fe0.4O3 compound","Journal of Magnetism and Magnetic Materials","2023","565","","170216","","10.1016/j.jmmm.2022.170216","","neutron","1.79809","","","","","","","","","","0.033","0.462","","","","","","","has coordinates","286637","2023-10-03","12:15:10",""
"1570037","5.8725","0.001","7.4312","0.001","5.3192","0.001","90","","90","","90","","232.13","0.07","296","","296","","","","","","","","","3","P n m a","-P 2ac 2n","62","GdMnO3","","","- Gd4 Mn4 O12 -","- Gd4 Mn4 O12 -","- Gd4 Mn4 O12 -","1","0.125","","Matus Mihalik et al.","Vacancy-driven magnetism of GdMnO3+delta multiferroic compound","Journal of Magnetism and Magnetic Materials","2023","587","","171221","","10.1016/j.jmmm.2023.171221","","","1.789","CoKα~1~","","","","","","","","","0.01625","0.5993","","","","","","","has coordinates","286638","2023-10-03","15:04:48",""
"1570042","5.5922","0.001","7.7084","0.001","5.3989","0.001","90","","90","","90","","232.73","0.07","296","","296","","","","","","","","","3","P n m a","-P 2ac 2n","62","SmFeO3","","","- Fe4 O12 Sm4 -","- Fe4 O12 Sm4 -","- Fe4 O12 Sm4 -","1","0.125","","Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik","Magnetic phase diagram of SmMn1-xFexO3 substitutional system","Physica B","2023","660","","414850","","10.1016/j.physb.2023.414850","","","1.789","CoKα~1~","","","","","","","","","0.0327","0.6334","","","","","","","has coordinates","286678","2023-10-05","11:55:47",""
"1570043","5.5883","0.001","7.6891","0.001","5.3923","0.001","90","","90","","90","","231.7","0.07","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","SmMn0.1Fe0.9O3","","","- Fe3.6 Mn0.4 O12 Sm4 -","- Fe3.6 Mn0.4 O12 Sm4 -","- Fe3.6 Mn0.4 O12 Sm4 -","1","0.125","","Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik","Magnetic phase diagram of SmMn1-xFexO3 substitutional system","Physica B","2023","660","","414850","","10.1016/j.physb.2023.414850","","","1.789","CoKα~1~","","","","","","","","","0.0296","0.5891","","","","","","","has coordinates","286679","2023-10-05","11:57:15",""
"1570044","5.6111","0.001","7.6838","0.001","5.3949","0.001","90","","90","","90","","232.6","0.07","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","SmMn0.2Fe0.8O3","","","- Fe3.2 Mn0.8 O12 Sm4 -","- Fe3.2 Mn0.8 O12 Sm4 -","- Fe3.2 Mn0.8 O12 Sm4 -","1","0.125","","Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik","Magnetic phase diagram of SmMn1-xFexO3 substitutional system","Physica B","2023","660","","414850","","10.1016/j.physb.2023.414850","","","1.789","CoKα~1~","","","","","","","","","0.0236","0.4802","","","","","","","has coordinates","286680","2023-10-05","11:58:04",""
"1570045","5.6078","0.001","7.6752","0.001","5.391","0.001","90","","90","","90","","232.03","0.07","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","SmMn0.3Fe0.7O3","","","- Fe2.8 Mn1.2 O12 Sm4 -","- Fe2.8 Mn1.2 O12 Sm4 -","- Fe2.8 Mn1.2 O12 Sm4 -","1","0.125","","Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik","Magnetic phase diagram of SmMn1-xFexO3 substitutional system","Physica B","2023","660","","414850","","10.1016/j.physb.2023.414850","","","1.789","CoKα~1~","","","","","","","","","0.0293","0.5935","","","","","","","has coordinates","286681","2023-10-05","11:58:42",""
"1570046","5.6113","0.001","7.6652","0.001","5.3893","0.001","90","","90","","90","","231.8","0.07","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","SmMn0.4Fe0.6O3","","","- Fe2.4 Mn1.6 O12 Sm4 -","- Fe2.4 Mn1.6 O12 Sm4 -","- Fe2.4 Mn1.6 O12 Sm4 -","1","0.125","","Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik","Magnetic phase diagram of SmMn1-xFexO3 substitutional system","Physica B","2023","660","","414850","","10.1016/j.physb.2023.414850","","","1.789","CoKα~1~","","","","","","","","","0.0251","0.51","","","","","","","has coordinates","286682","2023-10-05","11:59:17",""
"1570047","5.6211","0.001","7.6525","0.001","5.3858","0.001","90","","90","","90","","231.67","0.07","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","SmMn0.5Fe0.5O3","","","- Fe2 Mn2 O12 Sm4 -","- Fe2 Mn2 O12 Sm4 -","- Fe2 Mn2 O12 Sm4 -","1","0.125","","Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik","Magnetic phase diagram of SmMn1-xFexO3 substitutional system","Physica B","2023","660","","414850","","10.1016/j.physb.2023.414850","","","1.789","CoKα~1~","","","","","","","","","0.0235","0.482","","","","","","","has coordinates","286683","2023-10-05","11:59:48",""
"1570048","5.6544","0.001","7.6247","0.001","5.3782","0.001","90","","90","","90","","231.87","0.07","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","SmMn0.6Fe0.4O3","","","- Fe1.6 Mn2.4 O12 Sm4 -","- Fe1.6 Mn2.4 O12 Sm4 -","- Fe1.6 Mn2.4 O12 Sm4 -","1","0.125","","Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik","Magnetic phase diagram of SmMn1-xFexO3 substitutional system","Physica B","2023","660","","414850","","10.1016/j.physb.2023.414850","","","1.789","CoKα~1~","","","","","","","","","0.018","1.346","","","","","","","has coordinates","286684","2023-10-05","12:00:32",""
"1570049","5.6797","0.001","7.6039","0.001","5.3739","0.001","90","","90","","90","","232.09","0.07","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","SmMn0.7Fe0.3O3","","","- Fe1.2 Mn2.8 O12 Sm4 -","- Fe1.2 Mn2.8 O12 Sm4 -","- Fe1.2 Mn2.8 O12 Sm4 -","1","0.125","","Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik","Magnetic phase diagram of SmMn1-xFexO3 substitutional system","Physica B","2023","660","","414850","","10.1016/j.physb.2023.414850","","","1.789","CoKα~1~","","","","","","","","","0.02537","0.5233","","","","","","","has coordinates","286685","2023-10-05","12:02:45",""
"1570050","5.7234","0.001","7.5626","0.001","5.3666","0.001","90","","90","","90","","232.29","0.07","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","SmMn0.8Fe0.2O3","","","- Fe0.8 Mn3.2 O12 Sm4 -","- Fe0.8 Mn3.2 O12 Sm4 -","- Fe0.8 Mn3.2 O12 Sm4 -","1","0.125","","Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik","Magnetic phase diagram of SmMn1-xFexO3 substitutional system","Physica B","2023","660","","414850","","10.1016/j.physb.2023.414850","","","1.789","CoKα~1~","","","","","","","","","0.026","0.5233","","","","","","","has coordinates","286686","2023-10-05","12:03:15",""
"1570051","5.7153","0.001","7.5566","0.001","5.3667","0.001","90","","90","","90","","231.78","0.07","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","SmMn0.9Fe0.1O3","","","- Fe0.4 Mn3.6 O12 Sm4 -","- Fe0.4 Mn3.6 O12 Sm4 -","- Fe0.4 Mn3.6 O12 Sm4 -","1","0.125","","Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik","Magnetic phase diagram of SmMn1-xFexO3 substitutional system","Physica B","2023","660","","414850","","10.1016/j.physb.2023.414850","","","1.789","CoKα~1~","","","","","","","","","0.023","0.485","","","","","","","has coordinates","286687","2023-10-05","12:03:57",""
"1570052","5.7865","0.001","7.5149","0.001","5.3648","0.001","90","","90","","90","","233.29","0.07","296","","296","","","","","","","","","3","P n m a","-P 2ac 2n","62","SmMnO3","","","- Mn4 O12 Sm4 -","- Mn4 O12 Sm4 -","- Mn4 O12 Sm4 -","1","0.125","","Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik","Magnetic phase diagram of SmMn1-xFexO3 substitutional system","Physica B","2023","660","","414850","","10.1016/j.physb.2023.414850","","","1.789","CoKα~1~","","","","","","","","","0.0343","0.6728","","","","","","","has coordinates","286688","2023-10-05","12:04:28",""
"1570059","10.9891","0.0002","19.987","0.0003","12.3245","0.0002","90","","90","","90","","2706.94","0.08","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H43 Li O8 Si Te -","- C20 H43 Li O8 Si Te -","- C80 H172 Li4 O32 Si4 Te4 -","4","0.5","","Senthil, Shuruthi; Kwon, Seongyeon; Kong, Richard Y.; MacMillan, Samantha N.; Zatsepin, Pavel; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Lancaster, Kyle M.; Mindiola, Daniel J.","Tellurolate: an effective Te-atom transfer reagent to prepare the triad of group 5 metal bis(tellurides).","Chemical science","2023","14","43","12277","12282","10.1039/d3sc03470d","","x-ray","0.71073","MoKα","","0.0303","0.0242","","","0.0521","0.0536","","","","","","1.046","","","","has coordinates,has disorder","288081","2023-12-06","14:30:32",""
"1570310","12.819","0.0005","8.2195","0.0004","6.1236","0.0002","90","","90","","90","","645.22","0.05","637","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","Lithium tetrasulfidophosphate(V)","Lithium tetrasulfidophosphate(V)","","- Li3 P S4 -","- Li3 P S4 -","- Li12 P4 S16 -","4","0.5","","Homma, Kenji; Yonemura, Masao; Kobayashi, Takeshi; Nagao, Miki; Hirayama, Masaaki; Kanno, Ryoji","Crystal structure and phase transitions of the lithium ionic conductor Li3PS4","Solid State Ionics","2011","182","1","53","58","10.1016/j.ssi.2010.10.001","","","","","","","","","","","","","","","","","","","","","has coordinates","287615","2023-11-15","12:40:44",""
"1570383","17.3777","0.0006","14.539","0.0005","10.7488","0.0004","90","","90","","90","","2715.73","0.17","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H28 Cu2 F2 N6 -","- C30 H28 Cu2 F2 N6 -","- C120 H112 Cu8 F8 N24 -","4","0.5","","Jin, Xiaodong; Lin, Yongjie; Davies, Robert P.","On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation","Catalysis Science & Technology","2023","13","24","7181","7189","10.1039/D3CY00767G","","","0.71073","MoKα","","0.0577","0.0412","","","0.0961","0.105","","","","","","1.06","","","","has coordinates,has disorder","288718","2024-01-06","06:48:47",""
"1570407","12.2883","0.0002","12.5399","0.0002","12.1077","0.0002","90","","90","","90","","1865.72","0.05","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","(dichloromethyl)triphenylphosphonium chloride","","- C19 H16 Cl3 P -","- C19 H16 Cl3 P -","- C76 H64 Cl12 P4 -","4","0.5","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0539","0.0371","","","0.0827","0.1","","","","","","1.053","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570583","47.2631","0.0008","24.0336","0.0003","35.4451","0.0004","90","","90","","90","","40262.2","1","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C284 H391 Ag52 Br4 S30 -","- C284 H389 Ag52 Br4 S30 -","- C1136 H1556 Ag208 Br16 S120 -","4","0.5","","Li, Haoqi; Wei, Xiao; Kang, Xi; Zhu, Manzhou","Effects of bromine-containing counterion salts in directing the structures of medium-sized silver nanoclusters.","Nanoscale","2024","16","3","1254","1259","10.1039/d3nr05464k","","","1.54178","CuKα","","0.1502","0.1167","","","0.2971","0.322","","","","","","1.096","","","","has coordinates,has disorder","289574","2024-02-04","12:18:50",""
"1570600","10.617","0.002","10.736","0.002","8.7354","0.0017","90","","90","","90","","995.7","0.3","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","Strontium triphosphate(V) chloride","","","- Cl O10 P3 Sr3 -","- Cl O10 P3 Sr3 -","- Cl4 O40 P12 Sr12 -","4","0.5","","Gao, Jianhua; Liu, Xi; Song, Limei; Sha, Xunshan; Zhao, Pan; Guo, Ping","Synthesis and structure of a new halophosphate Sr 3 P 3 O 10 Cl with the flexible [P 3 O 10 ] 5− anions","Solid State Sciences","2016","55","","159","163","10.1016/j.solidstatesciences.2016.03.008","","","","","","","","","","","","","","","","","","","","","has coordinates","288565","2023-12-28","20:06:03",""
"1570706","10.5831","0.0012","22.694","0.003","5.3843","0.0006","90","","90","","90","","1293.2","0.3","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi6 O15 Te2 -","- Bi6 O15 Te2 -","- Bi24 O60 Te8 -","4","0.5","","Kim, Sun Woo; Chang, Hong Young","Structural Analysis, Characterization, and First-Principles Calculations of Bismuth Tellurium Oxides, Bi6Te2O15","Crystals","2023","14","1","23","","10.3390/cryst14010023","","","0.71073","MoKα","","0.0475","0.0364","","","0.0744","0.0791","","","","","","1.079","","","","has coordinates","288915","2024-01-06","15:56:57",""
"1570733","10.5352","0.0003","31.0969","0.0009","5.2099","0.0002","90","","90","","90","","1706.83","0.1","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","catena-[bis((4-fluorophenyl)methylammonium) bis(m-chloro)-dichloro-copper(ii)]","","- C14 H18 Cl4 Cu F2 N2 -","- C14 H18 Cl4 Cu F2 N2 -","- C56 H72 Cl16 Cu4 F8 N8 -","4","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","1.54178","CuKα","","0.0351","0.0319","","","0.0815","0.0837","","","","","","1.072","","","","has coordinates","288968","2024-01-09","19:18:26",""
"1570742","13.0687","0.001","19.3506","0.0012","6.103","0.0004","90","","90","","90","","1543.37","0.18","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","catena-(bis((2-Hydroxyethyl)ammonium) bis(m-iodo)-di-iodo-germanium(ii))","","- C4 H16 Ge I4 N2 O2 -","- C4 H16 Ge I4 N2 O2 -","- C16 H64 Ge4 I16 N8 O8 -","4","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0237","0.0182","","","0.0325","0.0332","","","","","","1.108","","","","has coordinates","288977","2024-01-09","19:19:58",""
"1570928","16.359","0.003","6.5479","0.0011","9.5918","0.0017","90","","90","","90","","1027.4","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H12 Br3 Cu2 N -","- C4 H12 Br3 Cu2 N -","- C16 H48 Br12 Cu8 N4 -","4","0.5","","Hassan, Nahid; Nagaraja, Suneetha; Saha, Sauvik; Tarafder, Kartick; Ballav, Nirmalya","Excitonic cuprophilic interactions in one-dimensional hybrid organic-inorganic crystals.","Chemical science","2024","15","11","4075","4085","10.1039/d3sc06255d","","","0.71073","MoKα","","0.0258","0.0241","","","0.0944","0.0971","","","","","","0.86","","","","has coordinates","290853","2024-04-04","22:50:25",""
"1570929","16.535","0.002","7.0771","0.0009","9.6517","0.0011","90","","90","","90","","1129.4","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H12 Ag2 Br3 N -","- C4 H12 Ag2 Br3 N -","- C16 H48 Ag8 Br12 N4 -","4","0.5","","Hassan, Nahid; Nagaraja, Suneetha; Saha, Sauvik; Tarafder, Kartick; Ballav, Nirmalya","Excitonic cuprophilic interactions in one-dimensional hybrid organic-inorganic crystals.","Chemical science","2024","15","11","4075","4085","10.1039/d3sc06255d","","","0.71073","MoKα","","0.0252","0.0222","","","0.048","0.0489","","","","","","1.217","","","","has coordinates,has disorder","290853","2024-04-04","22:50:25",""
"1571039","18.3338","0.0005","25.9671","0.0007","37.9645","0.0008","90","","90","","90","","18074","0.8","99.99","0.1","99.99","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C122 H94 O24 -","- C122 H94 O24 -","- C488 H376 O96 -","4","0.5","","Xi, Xiao-Juan; Li, Yang; Lang, Feifan; Pang, Jiandong; Bu, Xian-He","Reticular synthesis of 8-connected carboxyl hydrogen-bonded organic frameworks for white-light-emission.","Chemical science","2024","15","12","4529","4537","10.1039/d3sc06410g","","x-ray","1.54184","CuKα","","0.1348","0.1155","","","0.3421","0.3628","","","","","","1.382","","","","has coordinates,has disorder","290867","2024-04-04","22:57:51",""
"1571040","18.3974","0.0003","26.3784","0.0003","37.7312","0.0004","90","","90","","90","","18310.7","0.4","99.98","0.1","99.98","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C116 H82 O24 -","- C116 H82 O24 -","- C464 H328 O96 -","4","0.5","","Xi, Xiao-Juan; Li, Yang; Lang, Feifan; Pang, Jiandong; Bu, Xian-He","Reticular synthesis of 8-connected carboxyl hydrogen-bonded organic frameworks for white-light-emission.","Chemical science","2024","15","12","4529","4537","10.1039/d3sc06410g","","x-ray","1.54184","CuKα","","0.1221","0.1085","","","0.323","0.341","","","","","","1.361","","","","has coordinates,has disorder","290867","2024-04-04","22:57:51",""
"1571093","28.527","0.006","25.427","0.004","13.449","0.003","90","","90","","90","","9755","3","323","","323","","","","","","","","","5","P n m a","-P 2ac 2n","62","","HIAM-4040-OH-323K","","- C33 H16 N2 O33 Zr6 -","- C33 H16 N2 O33 Zr6 -","- C132 H64 N8 O132 Zr24 -","4","0.5","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","1.54178","CuKα","","0.0928","0.0694","","","0.186","0.2078","","","","","","0.93","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"1571094","28.6081","0.0013","25.3758","0.0013","13.7747","0.0007","90","","90","","90","","9999.8","0.9","193","","193","","","","","","","","","5","P n m a","-P 2ac 2n","62","","HIAM-4040-OH","","- C33 H16 N2 O33 Zr6 -","- C33 H16 N2 O33 Zr6 -","- C132 H64 N8 O132 Zr24 -","4","0.5","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","0.71073","MoKα","","0.1123","0.0734","","","0.1763","0.1972","","","","","","1.059","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"1571095","28.822","0.003","25.209","0.002","13.8069","0.0013","90","","90","","90","","10031.7","1.6","193","","193","","","","","","","","","5","P n m a","-P 2ac 2n","62","","HIAM-4040-OH-pH2","","- C33 H16 N2 O33 Zr6 -","- C33 H16 N2 O33 Zr6 -","- C132 H64 N8 O132 Zr24 -","4","0.5","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","0.71073","MoKα","","0.0816","0.0524","","","0.1387","0.1522","","","","","","1.038","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"1571096","28.8021","0.0013","25.366","0.0012","13.6242","0.0007","90","","90","","90","","9953.8","0.8","193","","193","","","","","","","","","5","P n m a","-P 2ac 2n","62","","HIAM-4040-OH-pH12","","- C33 H16 N2 O33 Zr6 -","- C33 H16 N2 O33 Zr6 -","- C132 H64 N8 O132 Zr24 -","4","0.5","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","0.71073","MoKα","","0.0739","0.0512","","","0.1391","0.1507","","","","","","1.037","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"1571097","28.5667","0.0011","25.4597","0.0008","13.5472","0.0007","90","","90","","90","","9852.9","0.7","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","HIAM-4040-OH-293K","","- C33 H15 N2 O33 Zr6 -","- C33 H15 N2 O33 Zr6 -","- C132 H60 N8 O132 Zr24 -","4","0.5","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","1.54178","CuKα","","0.0563","0.0431","","","0.1264","0.1342","","","","","","1.078","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"1571379","8.71","0.006","6.292","0.005","15.26","0.011","90","","90","","90","","836.3","1.1","100.15","","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 Cl2 Cu N4 -","- C5 H6 Cl2 Cu N4 -","- C20 H24 Cl8 Cu4 N16 -","4","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","","0.71073","MoKα","","0.0767","0.0697","","","0.1601","0.1624","","","","","","1.344","","","","has coordinates","291083","2024-04-05","05:51:24",""
"1571380","8.924","0.002","6.3937","0.0016","15.626","0.004","90","","90","","90","","891.6","0.4","100.15","","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 Br2 Cu N4 -","- C5 H6 Br2 Cu N4 -","- C20 H24 Br8 Cu4 N16 -","4","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","x-ray","0.71073","MoKα","K-L~3~","0.044","0.0328","","","0.081","0.0886","","","","","","1.073","","","","has coordinates","291083","2024-04-05","05:51:24",""
"1571381","8.6664","0.0002","6.2964","0.0002","14.894","0.0004","90","","90","","90","","812.72","0.04","100","2","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","Pyrazine Copper Chloride","","","- C5 H6 Cl2 Cu N4 -","- C5 H6 Cl2 Cu N4 -","- C20 H24 Cl8 Cu4 N16 -","4","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","","1.54184","CuKα","","0.0663","0.0609","","","0.1587","0.163","","","","","","1.14","","","","has coordinates","291083","2024-04-05","05:51:25",""
"1571382","8.943","0.0002","6.4316","0.0002","15.2113","0.0003","90","","90","","90","","874.92","0.04","100","0.1","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 Br2 Cu N4 -","- C5 H6 Br2 Cu N4 -","- C20 H24 Br8 Cu4 N16 -","4","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","","1.54184","CuKα","","0.0589","0.0562","","","0.1473","0.1505","","","","","","1.079","","","","has coordinates","291083","2024-04-05","05:51:25",""
"1571399","13.8153","0.0004","5.447","0.0002","9.6098","0.0003","90","","90","","90","","723.16","0.04","100.15","","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- F6 O3 Pb2 Se Si -","- F6 O3 Pb2 Se Si -","- F24 O12 Pb8 Se4 Si4 -","4","0.5","","Li, Peng-Fei; Hu, Chun-Li; Mao, Jiang-Gao; Kong, Fang","Pb2(SeO3)(SiF6): The first selenite fluorosilicate with wide bandgap and large birefringence achieved through perfluorinated group modification","Chemical Science","2024","","","","","10.1039/D4SC01376J","","","0.71073","MoKα","","0.0199","0.0189","","","0.0459","0.0465","","","","","","1.03","","","","has coordinates","291097","2024-04-05","22:16:09",""
"2000062","14.611","0.003","18.709","0.003","7.861","0.002","90","","90","","90","","2148.86","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C2 H25 Ca N2 O19.5 P4 -","- C4 H36 Ca N4 O33 P8 -","- C16 H144 Ca4 N16 O132 P32 -","4","0.5","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structure of a calcium ethylenediammonium cyclotetraphosphate hydrate","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","7","1189","1191","10.1107/s0108270188003622","","","","","","","0.031","","","0.031","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000171","7.284","0.001","3.881","0.001","15.143","0.001","90","","90","","90","","428.08","0.13","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Dy2 S3 -","- Dy2 S3 -","- Dy8 S12 -","4","0.5","AL0424","Meetsma, A.; Wiegers, G. A.; Haange, R. J.; de Boer, J. L.; Boom, G.","Structure of two modifications of dysprosium sesquisulfide, Dy~2~S~3~","Acta Crystallographica Section C","1991","47","11","2287","2291","10.1107/S0108270191006303","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2000290","5.2789","0.0005","14.998","0.002","5.4868","0.0005","90","","90","","90","","434.41","0.08","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C1.65 Al0.35 Ca1.6 Co O5 Pr0.37 -","- Al Ca2 Co2 O5 Pr2 -","- Al4 Ca8 Co8 O20 Pr8 -","4","0.5","CR0289","Lee, J. Y.; Swinnea, J. S.; Steinfink, H.","(Ca~1{-~<i>x</i>}Pr~<i>x~</i>)~2~(Co~1{-~<i>y</i>}Al~<i>y~</i>)~2~O~5~, a brownmillerite structure","Acta Crystallographica Section C","1991","47","7","1532","1534","10.1107/S0108270191000343","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2000468","17.426","0.011","6.945","0.01","6.816","0.002","90","","90","","90","","824.9","1.3","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H5 F3 N2 O S -","- C6 H5 F3 N2 O S -","- C24 H20 F12 N8 O4 S4 -","4","0.5","HA0110","Tinant, B.; Feneau-Dupont, J.; Declercq, J.-P.; Evariste, F.; Viehe, H. G.","3-Methyl-2-thioxo-6-trifluoromethyl-2,3-dihydro-4(1<i>H</i>)-pyrimidinone","Acta Crystallographica Section C","1992","48","11","2032","2033","10.1107/S0108270192002440","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2000672","18.172","0.002","17.95","0.003","12.086","0.004","90","","90","","90","","3942.3","1.5","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H28 Cl3 N9 O12 Pt2 -","- C35 H31 Cl3 N9 O15 Pt2 -","- C140 H124 Cl12 N36 O60 Pt8 -","4","0.5","HH0585","Bailey, J. A.; Gray, H. B.","A μ-pyrazolyl terpyridineplatinum(II) dimer","Acta Crystallographica Section C","1992","48","8","1420","1422","10.1107/S010827019200074X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2000733","12.262","0.003","4.121","0.003","14.713","0.002","90","","90","","90","","743.5","0.6","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba S4 Sm2 -","- Ba S4 Sm2 -","- Ba4 S16 Sm8 -","4","0.5","ST0546","Carpenter, J. D.; Hwu, S.-J.","Single-crystal structure of BaSm~2~S~4~","Acta Crystallographica Section C","1992","48","7","1164","1167","10.1107/S010827019101418X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2000781","8.545","0.003","3.8691","0.001","12.692","0.004","90","","90","","90","","419.6","0.2","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 H3 Cl Cu N -","- C2 H3 Cl Cu N -","- C8 H12 Cl4 Cu4 N4 -","4","0.5","HA0086","Jones, P. G.","Redetermination of the structure of (acetonitrile)chlorocopper(I) [(H~3~CCN)CuCl] at 178 K","Acta Crystallographica Section C","1992","48","7","1307","1308","10.1107/S0108270191013926","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2000813","10.418","0.008","10.769","0.009","13.808","0.009","90","","90","","90","","1549","2","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H18 Cl3 In P2 -","- C6 H18 Cl3 In P2 -","- C24 H72 Cl12 In4 P8 -","4","0.5","LI0104","Degnan, I. A.; Alcock, N. W.; Roe, S. M.; Wallbridge, M. G. H.","Structures of adducts formed by indium(III) halides and phosphine ligands: tris[1,2-bis(diphenylphosphino)ethane]bis[triiodoindium(III)] and trichlorobis(trimethylphosphine)indium(III)","Acta Crystallographica Section C","1992","48","6","995","999","10.1107/S0108270191013033","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2000864","8.849","0.002","3.937","0.001","14.348","0.005","90","","90","","90","","499.9","0.2","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu Se3 Zr -","- Eu Se3 Zr -","- Eu4 Se12 Zr4 -","4","0.5","ST0540","Mar, A.; Ibers, J. A.","Structure of europium zirconium selenide, EuZrSe~3~","Acta Crystallographica Section C","1992","48","5","771","773","10.1107/S0108270191011599","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2000902","8.484","0.002","6.859","0.002","14.95","0.005","90","","90","","90","","870","0.4","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H7 Na O8 -","- C6 H10 Na O9 -","- C24 H40 Na4 O36 -","4","0.5","AB0248","Kalsbeek, N.","Structures of a partially deuterated sodium trihydrogen dimalonate and sodium hydrogen malonate (a reinvestigation) at 120 K","Acta Crystallographica Section C","1992","48","5","878","883","10.1107/S0108270191012489","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2000976","11.304","0.002","5.316","0.002","6.64","0.002","90","","90","","90","","399","0.2","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Nb O5 P -","- Nb O5 P -","- Nb4 O20 P4 -","4","0.5","ST0536","Serra, D. L.; Hwu, S.-J.","Structure of orthorhombic NbPO~5~","Acta Crystallographica Section C","1992","48","4","733","735","10.1107/S0108270191011265","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001037","10.66","0.001","9.629","0.001","14.991","0.002","90","","90","","90","","1538.8","0.3","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H20 Cl4 N2 Zn -","- C9 H3 Cl4 N2 Zn -","- C36 H12 Cl16 N8 Zn4 -","4","0.5","ST0513","Williams, I. D.; Brown, P. W.; Taylor, N. J.","Structures of trimethylammonium tetrachlorometallates","Acta Crystallographica Section C","1992","48","2","259","263","10.1107/S0108270191010193","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001061","9.348","0.001","16.604","0.002","21.992","0.003","90","","90","","90","","3413.5","0.7","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C36 H54 O6 -","- C36 H48 O6 -","- C144 H192 O24 -","4","0.5","AS0508","Suzuki, K.; Minami, H.; Yamagata, Y.; Fujii, S.; Tomita, K.; Asfari, Z.; Vicens, J.","Structure of <i>p</i>-<i>tert</i>-butylhexahomotrioxacalix[3]arene","Acta Crystallographica Section C","1992","48","2","350","352","10.1107/S0108270191010399","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001131","9.188","0.001","3.717","0.001","13.839","0.001","90","","90","","90","","472.63","0.14","295","","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","","tinzirconiumtrisulfide","","- S3 Sn Zr -","- S3 Sn Zr -","- S12 Sn4 Zr4 -","4","0.5","AB1082","Meetsma, A.; Wiegers, G. A.; de Boer, J. L.","Structure determination of SnZrS~3~","Acta Crystallographica Section C","1993","49","12","2060","2062","10.1107/S0108270193005888","","","0.71073","MoKα","","","0.038","","","0.031","","","","","2.19","2.19","","","","","has coordinates","207947","2020-10-21","18:00:00",""
"2001134","16.563","0.002","8.111","0.001","9.458","0.002","90","","90","","90","","1270.6","0.3","294","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl5 H15 Ir N5 Pt -","- Cl5 H15 Ir N5 Pt -","- Cl20 H60 Ir4 N20 Pt4 -","4","0.5","DU1026","Garnier, E.; Bele, M.","Structure of pentaamminechloroiridium(III) tetrachloroplatinate(II)","Acta Crystallographica Section C","1993","49","12","2066","2067","10.1107/S0108270193005037","","","0.71069","MoKα","","","0.0282","","","0.0302","","","","","1.537","1.537","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001161","11.351","0.002","9.734","0.002","12.09","0.002","90","","90","","90","","1335.8","0.4","120","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H14 I2 N2 Zn -","- C8 I2 N2 Zn -","- C32 I8 N8 Zn4 -","4","0.5","AL1044","Freer, A. A.; McDermott, G.; Melville, J. C.; Robins, D. J.","Structure of diiodobis(1-pyrroline)zine(II)","Acta Crystallographica Section C","1993","49","12","2115","2117","10.1107/S010827019300544X","","","0.7107","MoKα","","","0.034","","","0.06","","","","","3.2","3.2","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001174","9.221","0.001","18.157","0.002","10.318","0.001","90","","90","","90","","1727.5","0.3","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","2,4,6-tris(tert.-butyl)anilin","","- C18 H31 N -","- C18 H31 N -","- C72 H124 N4 -","4","0.5","SE1024","Pohl, E.; Herbst-Irmer, R.; Köhler, K.; Roesky, H. W.; Sheldrick, G. M.","Structure of 2,4,6-tri(<i>tert</i>-butyl)aniline at 153 K","Acta Crystallographica Section C","1993","49","12","2141","2143","10.1107/S0108270193005827","","","0.71073","MoKα","","0.0621","0.0522","","0.1662","","","","","1.071","1.086","1.086","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2001215","15.156","0.002","17.34","0.003","13.472","0.002","90","","90","","90","","3540.5","0.9","295","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H40 Cl Cr3 N6 O18 S3 -","- C15 H43 Cl Cr3 N8 O18 S3 -","- C60 H172 Cl4 Cr12 N32 O72 S12 -","4","0.5","AL1037","Karu, E.; Anson, C. E.; Cannon, R. D.; Jayasooriya, U. A.; Powell, A. K.","Structure of [Cr~3~O(OOCCH~3~)~6~(OH~2~)~3~]Cl.3[SC(NH~2~)~2~].2H~2~O","Acta Crystallographica Section C","1993","49","11","1929","1932","10.1107/S0108270193004548","","","0.71069","MoKα","","","0.0513","","","0.0447","","","","","2.62","2.62","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001224","6.806","0.003","34.693","0.004","7.678","0.002","90","","90","","90","","1812.9","1","191","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C28 H16 O -","- C28 H14 O -","- C112 H56 O4 -","4","0.5","ST1052","Fitzgerald, L. J.; Gerkin, R. E.; Wei, G. P.; Rawal, V. H.","Structure of diphenanthro[1,2-<i>b</i>;2',1'-<i>d</i>]furan at 191 K","Acta Crystallographica Section C","1993","49","11","1949","1952","10.1107/S0108270193003609","","","0.71073","MoKα","","","0.047","","","0.049","","","","","1.59","1.59","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001238","13.454","0.001","7.317","0.001","15.181","0.001","90","","90","","90","","1494.5","0.3","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-(N-acetyl)imino-3-isopropyl-5-methyl-4-phenyl-4-thiazoline","","- C15 H18 N2 O S -","- C15 H18 N2 O S -","- C60 H72 N8 O4 S4 -","4","0.5","AB1085","Declercq, J.-P.; De Kimpe, N.; Boelens, M.","X-ray crystallographic analysis of 2-acetylimino-3-isopropyl-5-methyl-4-phenyl-2,3-dihydro-1,3-thiazole","Acta Crystallographica Section C","1993","49","11","1978","1980","10.1107/S0108270193005669","","","1.54178","CopperKα","","","0.054","","","0.072","","","","","0.75","0.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001280","7.927","0.002","6.086","0.002","10.934","0.003","90","","90","","90","","527.5","0.3","291","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O4 Se Tl2 -","- O4 Se Tl2 -","- O16 Se4 Tl8 -","4","0.5","MU1031","Fábry, J.; Breczewski, T.","Thallium(I) selenate","Acta Crystallographica Section C","1993","49","10","1724","1727","10.1107/S0108270193003373","","","0.71073","MoKα","","","0.0472","","","0.0392","","","","","0.896","0.896","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001298","13.08","0.003","11.667","0.007","7.8001","0.0001","90","","90","","90","","1190.3","0.8","296","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H15 Cl O2 Ru -","- C12 H15 Cl O2 Ru -","- C48 H60 Cl4 O8 Ru4 -","4","0.5","HA1028","Toerien, J. G.; Dillen, J. L. M.","Structure of [Ru(η^6^-C~7~H~8~)(acetylacetonato)Cl]","Acta Crystallographica Section C","1993","49","10","1762","1764","10.1107/S0108270193003002","","","0.7107","MoKα","","","0.038","","","0.025","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001347","13.407","0.009","8.483","0.008","9.94","0.008","90","","90","","90","","1130.5","1.6","296","","296","","","","","","","","","6","P n m a","-P 2ac 2n","62","N-Fluoroquinuclidinium Triflate","N-Fluoroquinuclidinium Trifluoromethanesulfonate","","- C8 H13 F4 N O3 S -","- C8 H13 F4 N O3 S -","- C32 H52 F16 N4 O12 S4 -","4","0.5","AL1049","Banks, R. E.; Pritchard, R. G.; Sharif, I.","<i>N</i>-Fluoroquinuclidinium trifluoromethanesulfonate (triflate): a novel electrophilic fluorinating agent","Acta Crystallographica Section C","1993","49","10","1806","1807","10.1107/S0108270193003646","","","0.71069","MoKα","","","0.0557","","","0.0718","","","","","2.692","2.692","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001428","13.173","0.006","10.101","0.007","8.734","0.004","90","","90","","90","","1162.2","1.1","130","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Sb3 Sr5 -","- Sb3 Sr5 -","- Sb12 Sr20 -","4","0.5","ST1034","Rehr, A.; Kauzlarich, S. M.","A new modification of Sr~5~Sb~3~","Acta Crystallographica Section C","1993","49","8","1442","1444","10.1107/S0108270192013362","","","0.71073","MoKα","","","0.0373","","","0.032","","","","","1.17","1.17","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001529","12.053","0.004","18.453","0.006","29.259","0.01","90","","90","","90","","6508","4","295","","","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C54.5 H14 Br8 Cl6 F20 N4 O2.5 Zn -","- C64 Br8 Cl12 F20 N4 O2 Zn -","- C256 Br32 Cl48 F80 N16 O8 Zn4 -","4","0.5","HH1024","Marsh, R. E.; Schaefer, W. P.; Hodge, J. A.; Hughes, M. E.; Gray, H. B.; Lyons, J. E.; Ellis, Jnr, P. E.","A highly solvated zinc(II) tetrakis(pentafluorophenyl)-β-octabromoporphyrin","Acta Crystallographica Section C","1993","49","7","1339","1342","10.1107/S0108270193000642","","","0.71073","MoKα","","","0.066","","","","","","","","1.74","1.74","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001689","10.0317","0.0001","5.8539","0.0001","4.6768","0.0001","90","","90","","90","","274.643","0.008","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li Ni O4 P -","- Li Ni O4 P -","- Li4 Ni4 O16 P4 -","4","0.5","HA1024","Abrahams, I.; Easson, K. S.","Structure of lithium nickel phosphate","Acta Crystallographica Section C","1993","49","5","925","926","10.1107/S0108270192013064","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001739","10.951","0.005","12.269","0.003","11.754","0.004","90","","90","","90","","1579.2","1","296","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H16 Br P -","- C18 H16 Br P -","- C72 H64 Br4 P4 -","4","0.5","HA1023","Bricklebank, N.; Godfrey, S. M.; McAuliffe, C. A.; Pritchard, R. G.","Triphenylphosphonium bromide","Acta Crystallographica Section C","1993","49","5","1017","1018","10.1107/S0108270192013052","","","0.7107","MoKα","","","0.052","","","0.0562","","","","","1.278","1.278","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001862","19.877","0.007","8.769","0.003","7.138","0.002","90","","90","","90","","1244.2","0.7","","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H14 Cl F3 N2 O3 S -","- C8 H20 Cl F3 N2 O3 S -","- C32 H80 Cl4 F12 N8 O12 S4 -","4","0.5","AL1015","Banks, R. E.; Sharif, I.; Pritchard, R. G.","Structure of the new electrophilic fluorinating agent 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) and two of its monoquaternary analogues","Acta Crystallographica Section C","1993","49","3","492","495","10.1107/S0108270192008588","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001863","12.599","0.006","7.653","0.003","14.094","0.007","90","","90","","90","","1358.9","1.1","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H14 B2 Cl F9 N2 -","- C7 H20 B8 Cl F33 N2 -","- C28 H80 B32 Cl4 F132 N8 -","4","0.5","AL1015","Banks, R. E.; Sharif, I.; Pritchard, R. G.","Structure of the new electrophilic fluorinating agent 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) and two of its monoquaternary analogues","Acta Crystallographica Section C","1993","49","3","492","495","10.1107/S0108270192008588","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2002015","7.526","0.002","19.107","0.002","5.785","0.002","90","","90","","90","","831.9","0.4","173","2","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C12 D8 O -","- C24 D16 O2 -","- C96 D64 O8 -","4","0.5","ST1020","Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E.","Structure of dibenzofuran-<i>d</i>~8~, C~12~D~8~O, at 173 K","Acta Crystallographica Section C","1993","49","2","398","400","10.1107/S0108270192009375","","","0.71073","MoKα","","","0.051","","","0.064","","","","","2.11","2.11","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2002060","12.4367","0.0008","12.719","0.0006","18.0229","0.0008","90","","90","","90","","2850.9","0.3","","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C25 H27 F6 O P2 Rh S3 -","- C31 H39 F14 O P2 Rh S3 -","- C124 H156 F56 O4 P8 Rh4 S12 -","4","0.5","HA0111","Blake, A. J.; Halcrow, M. A.; Schröder, M.","[Rh([9]aneS~3~)(CO)(PPh~3~)]^+^.PF~6~^{-^}","Acta Crystallographica Section C","1993","49","1","85","87","10.1107/S0108270192004943","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2002065","7.42","0.002","23.118","0.001","10.624","0.002","90","","90","","90","","1822.4","0.6","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H21 Cl2 N O -","- C20 H21 Cl2 N O -","- C80 H84 Cl8 N4 O4 -","4","0.5","AB0270","Sekar, K.; Parthasarathy, S.; Radhakrishnan, T. R.","Structure of 4-piperidone derivatives. III. 1,3,3-Trimethyl-2,6-diphenyl-4-piperidone and 2,6-bis(<i>p</i>-chlorophenyl)-1,3,5-trimethyl-4-piperidone","Acta Crystallographica Section C","1993","49","1","93","95","10.1107/S0108270192004207","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2002136","12.287","0.008","5.713","0.002","7.067","0.002","90","","90","","90","","496.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Barium cobalt diyttrium oxide","","- Ba Co O5 Y2 -","- Ba Co O5 Y2 -","- Ba4 Co4 O20 Y8 -","4","0.5","","Mevs, H; Mueller-Buschbaum, Hk","Ein Wechsel des Strukturtyps in den Oxiden Ba Co Gd2 O5, Ba Co Dy2 O5 und Ba Co Y2 O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","573","","128","132","10.1002/zaac.19895730113","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002141","15.429","0.002","5.7005","0.0012","7.364","0.002","90","","90","","90","","647.7","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Barium calcium manganese divanadate (1/0.6/0.4/1)","","- Ba Ca0.6 Mn0.4 O7 V2 -","- Ba Ca0.6 Mn0.4 O7 V2 -","- Ba4 Ca2.4 Mn1.6 O28 V8 -","4","0.5","","Rettich, R; Mueller-Buschbaum, Hk","Ein (Ba (Ca, Mn) O6)-Geruest mit eingelagerten V-O-V-Gruppen in der Kristallstruktur von Ba (Ca0.6 Mn0.4) V2 O7.","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","785","789","","","","","","","0.0857","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002159","9.7075","0.001","9.6032","0.001","6.913","0.001","90","","90","","90","","644.5","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Calcium copper oxovanadium(IV) bis(phosphate(V))","","- Ca Cu O9 P2 V -","- Ca Cu O9 P2 V -","- Ca4 Cu4 O36 P8 V4 -","4","0.5","","Meyer, S; Mueller-Buschbaum, Hk","Zur Kenntnis eines Vanadyl-Oxocuprat-Phosphats Ca Cu (V O) (P O4)2 mit Cu2+ auf Positionen der (V O)2+ Ionen und einem Beitrag zur kupferreicheren Phase Ca Cu1.13 (V O)0.87 (P O4)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1998","53","","521","526","","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002160","9.7003","0.0013","9.6137","0.0011","6.8962","0.0007","90","","90","","90","","643.1","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Calcium copper oxovanadium(IV) phosphate(V) (1/1.13/0.88/2)","","- Ca Cu1.13 O8.88 P2 V0.88 -","- Ca Cu1.12 O8.88 P2 V0.88 -","- Ca4 Cu4.48 O35.52 P8 V3.52 -","4","0.5","","Meyer, S; Mueller-Buschbaum, Hk","Zur Kenntnis eines Vanadyl-Oxocuprat-Phosphats Ca Cu (V O) (P O4)2 mit Cu2+ auf Positionen der (V O)2+ Ionen und einem Beitrag zur kupferreicheren Phase Ca Cu1.13 (V O)0.87 (P O4)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1998","53","","521","526","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002259","7.65","","5.85","","10.337","","90","","90","","90","","462.6","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dibarium cobalt(IV) oxide","","- Ba2 Co O4 -","- Ba2 Co O4 -","- Ba8 Co4 O16 -","4","0.5","","Mattausch, H; Mueller-Buschbaum, Hk","Zur Kenntnis von Ba2 Co O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1971","386","","1","14","10.1002/zaac.19713860102","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002281","9.51","","3.11","","10.83","","90","","90","","90","","320.3","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mangnesium discandium oxide","","- Mg O4 Sc2 -","- Mg0.9999 O4 Sc1.9998 -","- Mg3.9996 O16 Sc7.9992 -","4","0.5","","Mueller-Buschbaum, H","Zur Kenntnis des Mg Sc2 O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1966","343","","113","120","10.1002/zaac.19663430302","","","","","","0.096","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002366","9.7301","0.0004","7.377","0.009","6.687","0.003","90","","90","","90","","480","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Strontium beryllium dilanthanum pentaoxide","","- Be La2 O5 Sr -","- Be La2 O5 Sr -","- Be4 La8 O20 Sr4 -","4","0.5","","Schroeder, F; Mueller-Buschbaum, Hk","Synthese und Strukturaufklaerung von Sr Be La2 O5","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1987","118","","959","966","","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002397","9.634","","7.293","","6.611","","90","","90","","90","","464.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Beryllium calcium dilanthanum oxide","","- Be Ca La2 O5 -","- Be Ca La2 O5 -","- Be4 Ca4 La8 O20 -","4","0.5","","Schroeder, F; Mueller-Buschbaum, Hk","Zur Kenntnis neuer Verbindungen des Typs M Be Ln2 O5: M=Ca; Ln=La, Y","Journal of the Less-Common Metals","1988","137","","211","216","10.1016/0022-5088(88)90088-4","","","","","","0.084","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002398","9.214","","6.944","","6.326","","90","","90","","90","","404.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Calcium beryllium diyttrium oxide","","- Be Ca O5 Y2 -","- Be Ca O5 Y2 -","- Be4 Ca4 O20 Y8 -","4","0.5","","Schroeder, F; Mueller-Buschbaum, Hk","Zur Kenntnis neuer Verbindungen des Typs M Be Ln2 O5: M=Ca; Ln=La, Y","Journal of the Less-Common Metals","1988","137","","211","216","10.1016/0022-5088(88)90088-4","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002420","9.578","0.0032","7.2527","0.0045","6.5829","0.0029","90","","90","","90","","457.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Strontium beryllium dineodymium oxide","","- Be Nd2 O5 Sr -","- Be Nd2 O5 Sr -","- Be4 Nd8 O20 Sr4 -","4","0.5","","Schroeder, F; Mueller-Buschbaum, Hk","Neue Oxometallate der Formel Ba Be La2 O5, Sr Be Nd2 O5 und Sr Be Sm2 O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","561","","7","11","10.1002/zaac.19885610102","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002421","9.5039","0.0009","7.1885","0.0008","6.5223","0.0008","90","","90","","90","","445.6","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Strontium beryllium disamarium oxide","","- Be O5 Sm2 Sr -","- Be O5 Sm2 Sr -","- Be4 O20 Sm8 Sr4 -","4","0.5","","Schroeder, F; Mueller-Buschbaum, Hk","Neue Oxometallate der Formel Ba Be La2 O5, Sr Be Nd2 O5 und Sr Be Sm2 O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","561","","7","11","10.1002/zaac.19885610102","","","","","","0.091","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002426","12.267","0.008","5.714","0.002","7.064","0.002","90","","90","","90","","495.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Barium cobalt diholmium oxide","","- Ba Co Ho2 O5 -","- Ba Co Ho2 O5 -","- Ba4 Co4 Ho8 O20 -","4","0.5","","Mevs, H; Mueller-Buschbaum, Hk","Neue Oxometallate vom Ba Cu Sm2 O5 -Typ: Ba Co Ho2 O5, Ba Co Yb2 O5 und vom Ba Ni Ln2 O5 -Typ: Ba Co Er2 O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","574","","172","176","","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002427","12.138","0.01","5.662","0.003","7.004","0.004","90","","90","","90","","481.4","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Barium cobalt diytterbium oxide","","- Ba Co O5 Yb2 -","- Ba Co O5 Yb2 -","- Ba4 Co4 O20 Yb8 -","4","0.5","","Mevs, H; Mueller-Buschbaum, Hk","Neue Oxometallate vom Ba Cu Sm2 O5 -Typ: Ba Co Ho2 O5, Ba Co Yb2 O5 und vom Ba Ni Ln2 O5 -Typ: Ba Co Er2 O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","574","","172","176","","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002430","9.328","0.004","6.12","0.003","12.334","0.006","90","","90","","90","","704.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pentanickel hafnium diboron oxide","","- B2 Hf Ni5 O10 -","- B2 Hf Ni5 O10 -","- B8 Hf4 Ni20 O40 -","4","0.5","","Bluhm, K; Mueller-Buschbaum, Hk","Ni5 Hf B2 O10 mit geordneter Metallverteilung","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","575","","26","30","10.1002/zaac.19895750105","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002442","9.302","0.001","6.089","0.002","12.28","0.001","90","","90","","90","","695.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pentanickel tin(IV) diboron oxide","","- B2 Ni5 O10 Sn -","- B2 Ni5 O10 Sn -","- B8 Ni20 O40 Sn4 -","4","0.5","","Bluhm, K; Mueller-Buschbaum, Hk","Eine neue Verbindung vom M5 Ti B2 O10 -Typ mit geordneter Metallverteilung: Ni5 Sn B2 O10","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1989","120","","85","89","10.1007/BF00808749","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002443","15.31","0.005","5.945","0.002","14.197","0.003","90","","90","","90","","1292.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pentabarium dichlorononaoxodiruthenate(V)","","- Ba5 Cl2 O9 Ru2 -","- Ba5 Cl2 O9 Ru2 -","- Ba20 Cl8 O36 Ru8 -","4","0.5","","Lang, C; Mueller-Buschbaum, Hk","Ein neuer Strukturtyp eines neuen Ruthenium(V)Oxidchlorids: Ba5 Ru2 O9 Cl2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","587","","39","46","10.1002/zaac.19905870106","","","","","","0.0458","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002449","9.858","0.003","3.273","0.001","11.52","0.004","90","","90","","90","","371.7","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Strontium barium indium oxide (0.9/.1/2/4)","","- Ba0.07 In2 O4 Sr0.93 -","- Ba0.07 In2 O4 Sr0.93 -","- Ba0.28 In8 O16 Sr3.72 -","4","0.5","","Lalla, A; Mueller-Buschbaum, Hk","Zur Atomverteilung in Ba2 Sr In2 O6 mit einem Beitrag zur Existenz des Calciumferrat(III)-Typs bei Oxoindaten","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","588","","117","122","10.1002/zaac.19905880115","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002453","18.836","0.0035","5.7887","0.0027","11.103","0.006","90","","90","","90","","1210.6","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pentabarium aluminium iridium(IV) iridium(V) undecaoxide","","- Al Ba5 Ir2 O11 -","- Al Ba5 Ir2 O11 -","- Al4 Ba20 Ir8 O44 -","4","0.5","","Lang, C; Mueller-Buschbaum, Hk","Ba5 Al Ir2 O11: Eine neue Verbindung mit Iridium(IV,V)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","568","","29","34","10.1002/zaac.19895680105","","","","","","0.0687","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002454","10.853","0.004","5.897","0.002","19.81898","0.007","90","","90","","90","","1268.4","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Barium iridium ruthenium oxide (5/1.5/1.5/12)","","- Ba5 Ir1.5 O12 Ru1.5 -","- Ba5 Ir1.5 O12 Ru1.5 -","- Ba20 Ir6 O48 Ru6 -","4","0.5","","Lang, C; Mueller-Buschbaum, Hk","Ba5 (Ir, Ru)3 O12: Eine neue Kristallstruktur mit isolierten Oktaedertripeln","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","580","","71","77","10.1002/zaac.19905800109","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002472","14.47","0.016","5.4704","0.0022","7.4201","0.0027","90","","90","","90","","587.4","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Strontium copper divanadate","","- Cu O7 Sr V2 -","- Cu O7 Sr V2 -","- Cu4 O28 Sr4 V8 -","4","0.5","","Vogt, R; Mueller-Buschbaum, Hk","Ein zweites Erdalkalimetall-Kupferoxovanadat: Sr Cu V2 O7","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","594","","127","132","10.1002/zaac.19915940115","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002512","9.5149","0.0027","7.1962","0.0007","6.544","0.014","90","","90","","90","","448.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Calcium beryllium dipraseodymium oxide","","- Be Ca O5 Pr2 -","- Be Ca O5 Pr2 -","- Be4 Ca4 O20 Pr8 -","4","0.5","","Schroeder, F; Mueller-Buschbaum, Hk","Europium als Erdalkali- und Lanthanoidelement in Eu Be Eu2 O5 (sowie zur Kenntnis von Ca Be Pr2 O5)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","563","","59","64","10.1002/zaac.19885630109","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002519","7.0489","0.0018","11.9938","0.0073","12.0886","0.0061","90","","90","","90","","1022","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Tribarium bismuth trioxide trichloride","","- Ba3 Bi Cl3 O3 -","- Ba3 Bi Cl3 O3 -","- Ba12 Bi4 Cl12 O12 -","4","0.5","","Lenz, A; Mueller-Buschbaum, Hk","Eine Tunnelstruktur mit einseitig koordinierten Bi3+ Ionen in Ba3 Bi O3 Cl3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","582","","25","29","10.1002/zaac.19905820105","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002533","12.4284","0.0051","5.7659","0.0031","7.1431","0.004","90","","90","","90","","511.9","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Barium manganese didysprosium oxide","","- Ba Dy2 Mn O5 -","- Ba Dy2 Mn O5 -","- Ba4 Dy8 Mn4 O20 -","4","0.5","","Mueller-Buschbaum, Hk; Kluever, E","Die erste Verbindung mit Mn2+ der Stoffklasse Ba M Ln2 O5: Ba Mn Dy2 O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","612","","14","16","10.1002/zaac.19926120103","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002542","6.1826","0.0022","2.9351","0.001","13.2085","0.0035","90","","90","","90","","239.7","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sodium copper(I) copper oxide","","- Cu2 Na O2 -","- Cu2 Na O2 -","- Cu8 Na4 O8 -","4","0.5","","Tams, G; Mueller-Buschbaum, Hk","Synthese und Kristallstruktur eines gemischtvalenten Natrium-Oxycuprats (I, II): Na Cu2 O2","Journal of Alloys Compd.","1992","189","","241","243","10.1016/0925-8388(92)90714-K","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002569","9.415","0.003","3.173","0.001","9.461","0.003","90","","90","","90","","282.6","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","Ni-Warwickite","Nickel scandium borate oxide","","- B Ni O4 Sc -","- B Ni O4 Sc -","- B4 Ni4 O16 Sc4 -","4","0.5","","Bluhm, K.; Mueller-Buschbaum, H. K.","Ein synthetischer Warwickit mit statistischer Metallverteilung: NiScBO4 (A Synthetic Warwickite with Statistical Metal Distribution: NiScBO4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","585","6","87","92","10.1002/zaac.19905850111","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002570","12.4292","0.0018","5.7562","0.0006","7.1216","0.0013","90","","90","","90","","509.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Barium zinc diterbium oxide","","- Ba O5 Tb2 Zn -","- Ba O5 Tb2 Zn -","- Ba4 O20 Tb8 Zn4 -","4","0.5","","Mueller-Buschbaum, Hk; Moehr, S","Zur Kenntnis von Ba Zn Tb2 O5 und Ba Zn La2 O5","Journal of the Less-Common Metals","1991","170","","127","133","10.1016/0022-5088(91)90058-C","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002618","12.2787","0.0085","5.6826","0.0032","7.0344","0.0032","90","","90","","90","","490.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Barium cobalt dierbium oxide","","- Ba Co Er2 O5 -","- Ba Co Er2 O5 -","- Ba4 Co4 Er8 O20 -","4","0.5","","Kluever, E; Mueller-Buschbaum, Hk","Ueber eine neu entdeckte Dimorphie an Ba Co Er2 O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","421","423","10.1002/zaac.19936190230","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002628","9.1663","0.0036","2.9624","0.0008","10.7277","0.0023","90","","90","","90","","291.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sodium ferro(III)titanate","","- Fe Na O4 Ti -","- Fe Na O4 Ti -","- Fe4 Na4 O16 Ti4 -","4","0.5","","Mueller-Buschbaum, Hk; Frerichs, D","Zur Existenz des Ca Fe2 O4-Typs von Verbindungen der Zusammensetzung Na A3+ M4+ O4. Roentgenstrukturanalysen von Na Fe Ti O4 und Na0.7 (Fe, Al)0.7 Ti1.3 O4","Journal of Alloys Compd.","1993","199","","L5","L8","10.1016/0925-8388(93)90420-R","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002629","9.2295","0.0019","2.9572","0.0025","11.3181","0.0023","90","","90","","90","","308.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Sodium iron(III) aluminium titanium oxide (.7/.6/.1/1.3/4)","","- Al0.12 Fe0.58 Na0.7 O4 Ti1.3 -","- Al0.12 Fe0.58 Na0.7 O4 Ti1.3 -","- Al0.48 Fe2.32 Na2.8 O16 Ti5.2 -","4","0.5","","Mueller-Buschbaum, Hk; Frerichs, D","Zur Existenz des Ca Fe2 O4-Typs von Verbindungen der Zusammensetzung Na A3+ M4+ O4. Roentgenstrukturanalysen von Na Fe Ti O4 und Na0.7 (Fe, Al)0.7 Ti1.3 O4","Journal of Alloys Compd.","1993","199","","L5","L8","10.1016/0925-8388(93)90420-R","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002642","9.508","0.006","7.188","0.003","6.531","0.003","90","","90","","90","","446.4","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Barium calcium beryllium neodymium oxide (0.25/0.75/1/2/5)","","- Ba0.25 Be Ca0.75 Nd2 O5 -","- Ba0.25 Be Ca0.75 Nd2 O5 -","- Ba Be4 Ca3 Nd8 O20 -","4","0.5","","Mueller-Buschbaum, Hk; Frenzen, S","Zur Kenntnis von Eu Be Gd2 O5 mit einem Beitrag ueber Phasen der Zusammensetzung M(1-x) M'(x) Be Ln2 O5: Ca0.4 Sr0.6 Be Sm2 O5, Ba0.25 Ca0.75 Be Nd2 O5 und Ba0.36 Sr0.64 Be Nd2 O5","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1994","49","","919","922","","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002643","9.642","0.003","7.295","0.005","6.614","0.004","90","","90","","90","","465.2","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Barium strontium beryllium neodymium oxide (0.4/0.6/1/2/5)","","- Ba0.36 Be Nd2 O5 Sr0.64 -","- Ba0.36 Be Nd2 O5 Sr0.64 -","- Ba1.44 Be4 Nd8 O20 Sr2.56 -","4","0.5","","Mueller-Buschbaum, Hk; Frenzen, S","Zur Kenntnis von Eu Be Gd2 O5 mit einem Beitrag ueber Phasen der Zusammensetzung M(1-x) M'(x) Be Ln2 O5: Ca0.4 Sr0.6 Be Sm2 O5, Ba0.25 Ca0.75 Be Nd2 O5 und Ba0.36 Sr0.64 Be Nd2 O5","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1994","49","","919","922","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002645","9.454","0.003","7.142","0.004","6.49","0.003","90","","90","","90","","438.2","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Calcium strontium beryllium samarium oxide (0.4/0.6/1/2/5)","","- Be Ca0.4 O5 Sm2 Sr0.6 -","- Be Ca0.4 O5 Sm2 Sr0.6 -","- Be4 Ca1.6 O20 Sm8 Sr2.4 -","4","0.5","","Mueller-Buschbaum, Hk; Frenzen, S","Zur Kenntnis von Eu Be Gd2 O5 mit einem Beitrag ueber Phasen der Zusammensetzung M(1-x) M'(x) Be Ln2 O5: Ca0.4 Sr0.6 Be Sm2 O5, Ba0.25 Ca0.75 Be Nd2 O5 und Ba0.36 Sr0.64 Be Nd2 O5","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1994","49","","919","922","","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002658","9.219","0.003","2.8285","0.0012","12.113","0.003","90","","90","","90","","315.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Barium lead manganese aluminium oxide (1/1.5/6/2/16)","","- Al2 Ba Mn6 O16 Pb1.5 -","- Al2 Ba Mn6 O16 Pb1.5 -","- Al2 Ba Mn6 O16 Pb1.5 -","1","0.125","","Teichert, A; Mueller-Buschbaum, Hk","Eine neue Phase der Zusammensetzung Ba Pb1.5 Mn6 Al2 O16","Journal of Alloys Compd.","1993","202","","37","40","10.1016/0925-8388(93)90513-M","","","","","","0.109","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002669","5.0921","0.001","10.6243","0.003","17.8044","0.004","90","","90","","90","","963.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Copper cobalt trimolybdate (1.75/2/1)","","- Co2 Cu1.75 Mo3 O12 -","- Co2 Cu1.75 Mo3 O12 -","- Co8 Cu7 Mo12 O48 -","4","0.5","","Szillat, H; Mueller-Buschbaum, Hk","Zur Kenntnis des Oxocuprats (Cu, Co)3.75 Mo3 O12","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","707","711","","","","","","","0.109","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002678","9.7859","0.0012","6.9939","0.001","5.4391","0.001","90","","90","","90","","372.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Silver cadmium vanadate","","- Ag Cd O4 V -","- Ag Cd O4 V -","- Ag4 Cd4 O16 V4 -","4","0.5","","Muenchau, S; Mueller-Buschbaum, Hk","Zur Kristallchemie eines Silber-Cadmium-Oxovanadats: Ag Cd V O4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","703","706","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002680","8.606","0.0015","7.5953","0.0026","13.6604","0.0067","90","","90","","90","","892.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium potassium copper(I) trimolybdate (0.6/0.4/1/1)","","- Cu K0.4 Mo3 O10 Rb0.6 -","- Cu K0.4 Mo3 O10 Rb0.6 -","- Cu4 K1.6 Mo12 O40 Rb2.4 -","4","0.5","","Szillat, H; Mueller-Buschbaum, Hk","Ein Beitrag zur Synthese und Kristallchemie des AlkalimetallKupfer- Oxomolybdats Rb0.6 K0.4 Cu Mo3 O10","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","875","878","","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002687","9.4875","0.0018","7.1557","0.003","6.4945","0.007","90","","90","","90","","440.9","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Strontium beryllium dieuropium oxide","","- Be Eu2 O5 Sr -","- Be Eu2 O5 Sr -","- Be4 Eu8 O20 Sr4 -","4","0.5","","Mueller-Buschbaum, Hk; Muenchau, S","Eu3+ und Eu2+ in Oxometallaten der Zusammensetzung M Be Ln2 O5: Sr Be Eu2 O5 und Eu Be Nd2 O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","1033","1036","10.1002/zaac.19946200614","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002688","9.5338","0.0014","7.2249","0.0011","6.5443","0.0009","90","","90","","90","","450.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Europium(II) beryllium dineodymium oxide","","- Be Eu Nd2 O5 -","- Be Eu Nd2 O5 -","- Be4 Eu4 Nd8 O20 -","4","0.5","","Mueller-Buschbaum, Hk; Muenchau, S","Eu3+ und Eu2+ in Oxometallaten der Zusammensetzung M Be Ln2 O5: Sr Be Eu2 O5 und Eu Be Nd2 O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","1033","1036","10.1002/zaac.19946200614","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002711","9.319","0.0029","7.0448","0.0018","6.3956","0.0014","90","","90","","90","","419.9","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Calcium beryllium digadolinium oxide","","- Be Ca Gd2 O5 -","- Be Ca Gd2 O5 -","- Be4 Ca4 Gd8 O20 -","4","0.5","","Mueller-Buschbaum, Hk; Muenchau, S","Ein Beitrag zur Kristallchemie von Ca Be Gd2 O5 und Ba Be Nd2 O5","Journal of Alloys Compd.","1994","206","","175","178","10.1016/0925-8388(94)90031-0","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002763","7.7736","0.0014","5.899","0.001","10.3752","0.0012","90","","90","","90","","475.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Potassium barium vanadate(V)","","- Ba K O4 V -","- Ba K O4 V -","- Ba4 K4 O16 V4 -","4","0.5","","Schrandt, O.; Müller-Buschbaum, Hk.","Geordnete Metallverteilung in KBaVO~4~ und KSrVO~4~ mit β-K~2~SO~4~-Struktur / Ordered Metal Distribution in KBaVO~4~ and KSrVO~4~ Showing β-K~2~SO~4~ Structure","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1996","51","4","477","480","10.1515/znb-1996-0406","","","","","","0.0974","","","","","","","","","","","","","","","has coordinates","200085","2020-10-21","18:00:00",""
"2002764","7.3997","0.0011","5.8119","0.0008","9.9614","0.0009","90","","90","","90","","428.4","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Potassium strontium vanadate(V)","","- K O4 Sr V -","- K O4 Sr V -","- K4 O16 Sr4 V4 -","4","0.5","","Schrandt, O.; Müller-Buschbaum, Hk.","Geordnete Metallverteilung in KBaVO~4~ und KSrVO~4~ mit β-K~2~SO~4~-Struktur / Ordered Metal Distribution in KBaVO~4~ and KSrVO~4~ Showing β-K~2~SO~4~ Structure","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1996","51","4","477","480","10.1515/znb-1996-0406","","","","","","0.1007","","","","","","","","","","","","","","","has coordinates","200085","2020-10-21","18:00:00",""
"2002765","5.1541","0.0009","10.7876","0.0012","18.114","0.003","90","","90","","90","","1007.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Copper manganese molybdenum oxide (2.9/0.8/3/12)","","- Cu2.86 Mn0.8 Mo3 O12 -","- Cu2.86 Mn0.8 Mo3 O12 -","- Cu11.44 Mn3.2 Mo12 O48 -","4","0.5","","Sedello, O; Mueller-Buschbaum, Hk","Zur Kristallstruktur von (Cu, Mn)3.66 Mo3 O12","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","447","449","","","","","","","0.1671","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002788","13.3899","0.001","5.7644","0.001","10.3873","0.001","90","","90","","90","","801.7","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dibarium dieuropium zinct platinum octaoxide","","- Ba2 Eu2 O8 Pt Zn -","- Ba2 Eu2 O8 Pt Zn -","- Ba8 Eu8 O32 Pt4 Zn4 -","4","0.5","","Mueller-Buschbaum, Hk; Rabbow, C; Sfreddo, O","Zur Kenntnis eines Barium-Lanthanoid-Oxozinkat/Platinats(IV): Ba2 Eu2 Zn Pt O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1129","1133","10.1002/zaac.19966220705","","","","","","0.0953","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002795","10.4881","0.0011","6.3528","0.0014","8.8134","0.0014","90","","90","","90","","587.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Lead copper dicuprotellurate","","- Cu3 O7 Pb Te -","- Cu3 O7 Pb Te -","- Cu12 O28 Pb4 Te4 -","4","0.5","","Wedel, B; Mueller-Buschbaum, Hk","Ueber ein Blei-Kupfer-Tellurat Pb Cu3 Te O7 mit Cu2+ in deformiert tetragonal pyramidaler und tetraedrischer Sauerstoffkoordination","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","1587","1590","","","","","","","0.0326","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002801","9.821","0.00037","7.4355","0.00031","6.7344","0.00027","90","","90","","90","","491.8","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Barium strontium dilanthanoberyllate (0.5/0.5/1)","","- Ba0.5 Be La2 O5 Sr0.5 -","- Ba0.5 Be La2 O5 Sr0.5 -","- Ba2 Be4 La8 O20 Sr2 -","4","0.5","","Rettich, R; Mueller-Buschbaum, Hk","Ein Beitrag ueber die Verbindung Ca Be Nd2 O5 und Phasen der Zusammensetzung M(1-x) M'(x) Be Ln2 O5 (M=Ca, Ba; M'=Sr; x=0.5)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","562","566","10.1002/zaac.19956210412","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002802","9.352","","7.0161","","6.3748","","90","","90","","90","","418.3","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Calcium strontium didysprosoberyllate (0.5/0.5/1)","","- Be Ca0.5 Dy2 O5 Sr0.5 -","- Be Ca0.5 Dy2 O5 Sr0.5 -","- Be4 Ca2 Dy8 O20 Sr2 -","4","0.5","","Rettich, R; Mueller-Buschbaum, Hk","Ein Beitrag ueber die Verbindung Ca Be Nd2 O5 und Phasen der Zusammensetzung M(1-x) M'(x) Be Ln2 O5 (M=Ca, Ba; M'=Sr; x=0.5)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","562","566","10.1002/zaac.19956210412","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002803","9.4483","","7.1548","","6.4834","","90","","90","","90","","438.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Calcium dineodymoberyllate","","- Be Ca Nd2 O5 -","- Be Ca Nd2 O5 -","- Be4 Ca4 Nd8 O20 -","4","0.5","","Rettich, R; Mueller-Buschbaum, Hk","Ein Beitrag ueber die Verbindung Ca Be Nd2 O5 und Phasen der Zusammensetzung M(1-x) M'(x) Be Ln2 O5 (M=Ca, Ba; M'=Sr; x=0.5)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","562","566","10.1002/zaac.19956210412","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002813","17.53998","0.002","7.6223","0.0008","11.0633","0.0012","90","","90","","90","","1479.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Barium oxovanadium bis(arsenate(V)) diarsenate(V)","","- As4 Ba O19 V4 -","- As4 Ba O19 V4 -","- As16 Ba4 O76 V16 -","4","0.5","","Mueller-Buschbaum, Hk; Wadewitz, C","Ba (V O)4 (As O4)2 (As2 O7): Ein neues Divanadyl(IV)-Arsenat mit flaechenverknuepften V2 O8+1 - Oktaederdoppeln","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","83","87","","","","","","","0.0693","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002818","12.5748","0.0015","5.8042","0.0003","7.1976","0.0003","90","","90","","90","","525.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Barium disamarium zinc oxide","","- Ba O5 Sm2 Zn -","- Ba O5 Sm2 Zn -","- Ba4 O20 Sm8 Zn4 -","4","0.5","","Mueller-Buschbaum, Hk; Rabbow, C; Panzer, S","Roentgenstrukturanalyse von zwei Verbindungen des Kupfertyps Ba M Ln2 O5 (M= Zn, Ln= Sm, Tm) und von Ba Sm Al Zn3 O7","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","546","548","","","","","","","0.0471","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002819","12.258","0.002","5.6837","0.0009","7.01","0.002","90","","90","","90","","488.4","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Barium dithulium zinc oxide","","- Ba O5 Tm2 Zn -","- Ba O5 Tm2 Zn -","- Ba4 O20 Tm8 Zn4 -","4","0.5","","Mueller-Buschbaum, Hk; Rabbow, C; Panzer, S","Roentgenstrukturanalyse von zwei Verbindungen des Kupfertyps Ba M Ln2 O5 (M= Zn, Ln= Sm, Tm) und von Ba Sm Al Zn3 O7","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","546","548","","","","","","","0.1293","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002835","14.113","0.001","6.4075","0.001","7.3635","0.001","90","","90","","90","","665.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Calcium nickel oxovanadium(IV) bis(phosphate(V))","","- Ca Ni O9 P2 V -","- Ca Ni O9 P2 V -","- Ca4 Ni4 O36 P8 V4 -","4","0.5","","Mueller-Buschbaum, Hk; Meyer, S","Kurze O-O-Abstaende einer gemeinsamen Polyederkante bei Verknuepfung von P O4 - Tetraedern mit V O6 - Oktaedern im Vanadylorthophosphat Ca Ni (V O) (P O4)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","981","984","","","","","","","0.0778","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002863","15.0511","0.0069","5.5136","0.0024","7.5134","0.0017","90","","90","","90","","623.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Barium copper divanadate","","- Ba Cu O7 V2 -","- Ba Cu O7 V2 -","- Ba4 Cu4 O28 V8 -","4","0.5","","Vogt, R; Mueller-Buschbaum, Hk","Ba Cu V2 O7: Das letzte Glied in der Reihe M Cu V2 O7 (M= Mg2+, Ca2+, Sr2+, Ba2+)","Journal of the Less-Common Metals","1991","171","","L35","L39","10.1016/0022-5088(91)90139-U","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002867","9.0698","0.0036","2.9634","0.0014","10.6021","0.0031","90","","90","","90","","285","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Calcium gallium chromium oxide (1/1.65/.35/4)","","- Ca Cr0.35 Ga1.65 O4 -","- Ca Cr0.35 Ga1.65 O4 -","- Ca4 Cr1.4 Ga6.6 O16 -","4","0.5","","Mueller-Buschbaum, Hk; Tams, G","Zur Kristallstruktur von Oxometallaten A M2 O4: Ca Ga(2-x) M(x) O4 mit M= Fe, Al und M= Cr; Ca Ga.7 Fe.7 Al.6 O4 und Ca Ga1.65 Cr.3","Journal of the Less-Common Metals","1991","171","","163","169","10.1016/0022-5088(91)90273-7","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002875","9.3424","0.0031","7.0669","0.0011","6.4109","0.0014","90","","90","","90","","423.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Calcium beryllium dieuropium oxide","","- Be Ca Eu2 O5 -","- Be Ca Eu2 O5 -","- Be4 Ca4 Eu8 O20 -","4","0.5","","Mueller-Buschbaum, Hk; Wolters, M","Synthese und Kristallstrukturuntersuchung von Ca Be Eu2 O5, Sr Be Gd2 O5 und Eu Be Sm2 O5","Journal of Alloys Compd.","1994","210","","L1","L3","10.1016/0925-8388(94)90104-X","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002876","9.4342","0.0066","7.1255","0.0009","6.4797","0.0014","90","","90","","90","","435.6","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Strontium beryllium digadolinium oxide","","- Be Gd2 O5 Sr -","- Be Gd2 O5 Sr -","- Be4 Gd8 O20 Sr4 -","4","0.5","","Mueller-Buschbaum, Hk; Wolters, M","Synthese und Kristallstrukturuntersuchung von Ca Be Eu2 O5, Sr Be Gd2 O5 und Eu Be Sm2 O5","Journal of Alloys Compd.","1994","210","","L1","L3","10.1016/0925-8388(94)90104-X","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002882","15.429","0.002","5.7005","0.0012","7.364","0.002","90","","90","","90","","647.7","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Barium calcium mangenese divanadate (1/0.6/0.4/1)","","- Ba Ca0.6 Mn0.4 O7 V2 -","- Ba Ca0.6 Mn0.4 O7 V2 -","- Ba4 Ca2.4 Mn1.6 O28 V8 -","4","0.5","","Rettich, R; Mueller-Buschbaum, Hk","Ein (Ba (Ca, Mn) O6)-Geruest mit eingelagerten V-O-VGruppen in der Kristallstruktur von Ba (Ca0.6 Mn0.4) V2 O7","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","785","789","","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002889","5.964","","8.32","","5.86","","90","","90","","90","","290.8","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Strontium plumbate","","- O3 Pb Sr -","- O3 Pb Sr -","- O12 Pb4 Sr4 -","4","0.5","","Keller, H L; Meier, K H; Mueller-Buschbaum, H","Zur Kristallstruktur von Sr Pb O3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1975","30","","277","278","","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002925","7.531","0.003","5.874","0.002","10.399","0.004","90","","90","","90","","460","0.3","200","","200","","","","","","","","","4","P n m a","-P 2ac 2n","62","","ammonium tetrafluoroberyllate","","- Be F4 H8 N2 -","- Be F4 H8 N2 -","- Be4 F16 H32 N8 -","4","0.5","BK0051","Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F.","Neutron structures of ammonium tetrafluoroberyllate","Acta Crystallographica Section B","1999","55","1","17","23","10.1107/S010876819800737X","","neutron","1.0462","neutron","","0.0679","0.0679","","0.0733","0.0733","","","","1.0428","1.0428","1.0428","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003108","9.8136","0.0009","7.6018","0.0006","13.4201","0.0009","90","","90","","90","","1001.15","0.14","295","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cl4 Cs2 Hg -","- Cl4 Cs2 Hg -","- Cl16 Cs8 Hg4 -","4","0.5","SE0229","Bagautdinov, B.; Luedecke, J.; Schneider, M.; van Smaalen, S.","Disorder in the Crystal Structure of Cs~2~HgCl~4~ Studied by the Maximum Entropy Method","Acta Crystallographica Section B","1998","54","5","626","634","10.1107/S010876819800233X","","","0.71073","MoKα","","","0.032","","","0.031","","","","","1.93","1.93","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003124","5.5887","0.0005","7.7619","0.0005","5.4489","0.0005","90","0.007","90","0.007","90","0.007","236.37","0.03","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Fe Nd O3 -","- Fe Nd O3 -","- Fe4 Nd4 O12 -","4","0.5","SH0113","Streltsov, V. A.; Ishizawa, N.","Synchrotron X-ray study of the electron density in <i>R</i>FeO~3~ (<i>R</i> = Nd, Dy)","Acta Crystallographica Section B","1999","55","1","1","7","10.1107/S0108768198005400","","","0.84","xray_vertical_wiggler","","0.03","0.029","","0.033","0.033","","","","2.491","2.509","2.509","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2003125","5.5957","0.0008","7.629","0.0009","5.3009","0.0011","90","0.012","90","0.012","90","0.012","226.29","0.06","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Dy Fe O3 -","- Dy Fe O3 -","- Dy4 Fe4 O12 -","4","0.5","SH0113","Streltsov, V. A.; Ishizawa, N.","Synchrotron X-ray study of the electron density in <i>R</i>FeO~3~ (<i>R</i> = Nd, Dy)","Acta Crystallographica Section B","1999","55","1","1","7","10.1107/S0108768198005400","","","0.84","xray_vertical_wiggler","","0.038","0.038","","0.04","0.04","","","","3.263","3.263","3.263","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2003246","18.56","0.003","13.335","0.004","9.677","0.003","90","","90","","90","","2395","1.1","295","1","295","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H2 Cl3 Cs6 Fe N6 O -","- C5 Cl2.5 Cs5 Fe0.5 N5 O -","- C20 Cl10 Cs20 Fe2 N20 O4 -","4","0.5","BR1089","Capparelli, M. V.; Murgich, J.","Cs~6~Cl~3~[Fe(CN)~6~].H~2~O: a Mixed-Anion Salt","Acta Crystallographica Section C","1995","51","3","356","358","10.1107/S010827019401022X","","","0.71069","MoKα","","","0.0243","","","0.0276","","","","","2.188","2.188","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003377","12.0761","0.0006","12.2729","0.0006","21.0414","0.0014","90","","90","","90","","3118.5","0.3","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H28 N4 O8 Zn2 -","- C28 H28 N4 O8 Zn2 -","- C112 H112 N16 O32 Zn8 -","4","0.5","MU1144","Clegg, W.; Hunt, P. A.; Straughan, B. P.","Contrasting Structures of Two Adducts of Zinc Crotonate with Substituted Pyridines","Acta Crystallographica Section C","1995","51","4","613","617","10.1107/S0108270194011315","","","0.71073","MoKα","","0.0418","0.0288","","0.084","0.074","","","","1.062","1.051","1.051","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003437","14.883","0.003","12.447","0.004","12.56","0.003","90","","90","","90","","2327","1","293","","","","","","","","","","?","2","P n m a","-P 2ac 2n","62","","","","- Al10 Mn3 -","- Al10.01 Mn2.99 -","- Al120.12 Mn35.88 -","12","1.5","","Pavlyuk, Volodymyr V.; Yanson, Tamara I.; Bodak, Oksana I.; Černý, Radovan; Gladyshevskii, Roman E.; Yvon, Klaus; Stepien-Damm, Julia","Structure Refinement of Orthorhombic MnAl~3~","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","5","792","794","10.1107/s0108270194012965","","","0.71073","MoKα","","","0.045","","","0.025","","","","","1.316","1.316","","","","","has coordinates","200796","2020-10-21","18:00:00",""
"2003536","9.193","0.009","4.89","0.004","7.162","0.007","90","","90","","90","","322","0.5","233","2","233","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O5 P2 -","- O5 P2 -","- O20 P8 -","4","0.5","DU1085","Stachel, D.; Svoboda, I.; Fuess, H.","Phosphorus Pentoxide at 233 K","Acta Crystallographica Section C","1995","51","6","1049","1050","10.1107/S0108270194012126","","","0.71069","MoKα","","0.085","0.039","","0.0946","0.0831","","","","1.04","1.117","1.117","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003556","21.472","0.005","9.117","0.001","5.186","0.001","90","","90","","90","","1015.2","0.3","102","","","","","","","","","","see text","3","P n m a","-P 2ac 2n","62","","","","- C3 H9 P -","- C3 H18 P2 -","- C24 H144 P16 -","8","1","HR1047","Bruckmann, J.; Krüger, C.","Trimethylphosphine and Triethylphosphine in the Solid State","Acta Crystallographica Section C","1995","51","6","1155","1158","10.1107/S0108270194014368","","","0.71069","MoKα","","","0.037","","","0.049","","","","","1.9","1.9","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003568","6.11","0.001","8.205","0.001","5.868","0.001","90","","90","","90","","294.18","0.08","294","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","Mercury Selenite","Mercury(II) Selenate(IV)","","- Hg O3 Se -","- Hg O3 Se -","- Hg4 O12 Se4 -","4","0.5","HU1145","Koskenlinna, M.; Valkonen, J.","Mercury(II) Selenite","Acta Crystallographica Section C","1995","51","6","1040","1042","10.1107/S0108270194014770","","","0.71073","MoKα","","","0.026","","","0.032","","","","","0.363","0.363","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003657","10.345","0.001","17.316","0.002","15.94","0.002","90","","90","","90","","2855.4","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis(5,5-diphenylhydantoinato)diamminezinc(II) Hemihydrate","","- C30 H29 N6 O4.5 Zn -","- C30 H29 N6 O4.5 Zn -","- C120 H116 N24 O18 Zn4 -","4","0.5","FG1044","Roszak, A. W.; Milne, P.; Weaver, D. F.","Diamminebis(5,5-diphenylhydantoinato)zinc(II) Hemihydrate","Acta Crystallographica Section C","1995","51","7","1297","1300","10.1107/S0108270195000291","","","0.71069","MoKα","","0.0577","0.0423","","0.1373","0.1199","","","","1.092","1.092","1.092","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003938","12.193","0.009","12.821","0.002","6.685","0.001","90","","90","","90","","1045","0.8","298","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H18 Cd N2 -","- C8 H18 Cd N2 -","- C32 H72 Cd4 N8 -","4","0.5","OH1068","Wang, X.; Sun, H.; Sun, X.; You, X.; Huang, X.","Me~2~Cd(dabco)","Acta Crystallographica Section C","1995","51","9","1754","1756","10.1107/S0108270194012291","","","0.71069","MoKα","","","0.03","","","0.039","","","","","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004087","7.951","0.002","25.576","0.009","5.689","0.002","90","","90","","90","","1156.9","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3-diphenyl thiourea","","- C13 H12 N2 S -","- C13 H12 N2 S -","- C52 H48 N8 S4 -","4","0.5","AS1179","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","Symmetrically Substituted Thiourea Derivatives","Acta Crystallographica Section C","1995","51","11","2446","2450","10.1107/S010827019500607X","","","0.71073","MoKα","","0.1221","0.0676","","0.2088","0.1775","","","","0.933","1.108","1.108","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004192","12.416","0.001","6.391","0.001","15.552","0.002","90","","90","","90","","1234.1","0.3","295","","295","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H12 Hg I2 N4 -","- C6 Hg I2 N4 -","- C24 Hg4 I8 N16 -","4","0.5","NA1153","Svensson, P. H.; Bengtsson-Kloo, L. A.; Stegemann, H.","(Hexamethylenetetramine)diiodomercury(II), HgI~2~.hmt","Acta Crystallographica Section C","1995","51","11","2289","2292","10.1107/S0108270195005567","","","0.7109","MoKα","","","0.0335","","","0.0344","","","","","2.07","2.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004378","10.679","0.003","6.618","0.004","6.978","0.004","90","","90","","90","","493.2","0.4","293","2","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As K Mo O6 -","- As K Mo O6 -","- As4 K4 Mo4 O24 -","4","0.5","","Zid, M. F.; Jouini, T.","KMoO~2~AsO~4~","Acta Crystallographica, Section C: Crystal Structure Communications","1996","52","1","3","5","10.1107/s0108270195010572","","","","","","","","","","","","","","","","","","","","","has coordinates","200801","2020-10-21","18:00:00",""
"2004600","17.252","0.003","16.565","0.003","10.422","0.002","90","","90","","90","","2978.4","0.9","200","1","200","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","Lithiumtetrapenylborate-Dihydrate-Bis(tetrahydrofuran)","","- C32 H40 B Li O4 -","- C32 H40 B Li O4 -","- C128 H160 B4 Li4 O16 -","4","0.5","DU1138","Schödel, H.; Vaupel, T.; Bock, H.","Lithium Tetraphenylborate.2thf.2H~2~O","Acta Crystallographica Section C","1996","52","3","637","640","10.1107/S0108270195012522","","","0.71073","MoKα","","0.0915","0.0495","","0.1607","0.1392","","","","1.102","1.202","1.202","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004635","8.266","0.002","30.465","0.005","8.334","0.001","90","","90","","90","","2098.7","0.7","293","","293","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Bis(2-methyl-4-nitroanilinium) Tetrachlorocadmate","","- C14 H18 Cd Cl4 N4 O4 -","- C14 H18 Cd0.5 Cl3 N4 O4 -","- C56 H72 Cd2 Cl12 N16 O16 -","4","0.5","KH1059","Azumi, R.; Honda, K.; Goto, M.; Akimoto, J.; Oosawa, Y.; Tachibana, H.; Tanaka, M.; Matsumoto, M.","Bis(2-methyl-4-nitroanilinium) Tetrachlorocadmate","Acta Crystallographica Section C","1996","52","3","588","591","10.1107/S0108270195012935","","","0.7107","MoKα","","","0.043","","","0.042","","","","","1.23","1.23","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2004751","9.558","0.002","20.676","0.004","9.591","0.002","90","","90","","90","","1895.4","0.7","130","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Bis(tert-butyl acetoacetato)aquocopper(II)","","- C16 H28 Cu O7 -","- C16 H28 Cu O7 -","- C64 H112 Cu4 O28 -","4","0.5","HU1134","Patnaik, S.; Guru Row, T. N.; Raghunathan, L.; Devi, A.; Goswami, J.; Shivashankar, S. A.; Chandrasekaran, S.; Robinson, W. T.","Low-Temperature Structure of Two Copper-Based Precursors for MOCVD: Aquabis(<i>tert</i>-butyl acetoacetato)copper(II) and Bis(dipivaloylmethanido)copper(II)","Acta Crystallographica Section C","1996","52","4","891","894","10.1107/S0108270195012157","","","0.71073","MoKα","","0.0616","0.0386","","0.1086","0.0924","","","","1.015","0.985","0.985","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2004785","10.224","0.001","21.514","0.002","10.23","0.001","90","","90","","90","","2250.2","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dimethylbis(O-cyclohexyldithiocarbonato)tin(IV).","","- C16 H28 O2 S4 Sn -","- C16 H28 O2 S4 Sn -","- C64 H112 O8 S16 Sn4 -","4","0.5","MU1227","Mohamed-Ibrahim, M. I.; Khor, C.-K.; Fun, H.-K.; Sivakumar, K.","Bis(<i>O</i>-cyclohexyl dithiocarbonato)dimethyltin(IV)","Acta Crystallographica Section C","1996","52","4","845","846","10.1107/S0108270195015009","","","0.71073","MoKα","","0.0749","0.0668","","0.1605","0.1577","","","","1.157","1.245","1.245","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004797","6.847","0.001","10.429","0.002","13.655","0.002","90","","90","","90","","975.1","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br2.116 Cd Cl0.884 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.0113","","","0.0133","","","","","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004798","6.825","0.001","10.415","0.002","13.63","0.002","90","","90","","90","","968.9","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br1.787 Cd Cl1.213 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.015","","","0.017","","","","","1.29","1.29","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004799","6.782","0.001","10.335","0.002","13.572","0.002","90","","90","","90","","951.3","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br1.183 Cd Cl1.817 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.0109","","","0.0126","","","","","0.82","0.82","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004800","6.765","0.001","10.304","0.002","13.544","0.002","90","","90","","90","","944.1","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br0.962 Cd Cl2.038 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.0107","","","0.012","","","","","0.88","0.88","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004801","6.744","0.001","10.253","0.002","13.517","0.002","90","","90","","90","","934.6","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br0.607 Cd Cl2.393 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.01","","","0.0113","","","","","0.84","0.84","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004802","6.716","0.001","10.192","0.002","13.476","0.002","90","","90","","90","","922.4","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br0.286 Cd Cl2.714 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.0106","","","0.013","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004864","9.84","0.007","16.198","0.012","5.69","0.004","90","","90","","90","","906.9","1.1","210","2","210","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,6-dichloro-3,5-dimethoxy-2,5-cyclohexadiene-1,4-dione","","- C8 H6 Cl2 O4 -","- C8 H6 Cl2 O4 -","- C32 H24 Cl8 O16 -","4","0.5","CF1054","Mukherjee, S.; Bisht, K. S.; Parmar, V. S.; Errington, W.","3,5-Dichloro-2,6-dimethoxycyclohexa-2,5-diene-1,4-dione","Acta Crystallographica Section C","1996","52","5","1211","1213","10.1107/S0108270195015745","","","0.71073","MoKα","","0.0361","0.0342","","0.0895","0.0875","","","","1.07","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004866","11.952","0.002","6.255","0.001","11.708","0.002","90","","90","","90","","875.3","0.3","292","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C7 H5 N5 O3 -","- C7 H5 N5 O3 -","- C28 H20 N20 O12 -","4","0.5","CR1142","Caracelli, I.; Stamato, F. M. L. G.; Mester, B.; Paulino, M.; Cerecetto, H.","A New Analogue of Nifurtimox","Acta Crystallographica Section C","1996","52","5","1281","1282","10.1107/S0108270195015824","","","0.71073","MoKα","","","0.0417","","","0.0449","","","","","1.68","1.68","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004918","6.5901","0.0008","9.4434","0.0009","14.983","0.002","90","","90","","90","","932.44","0.19","291","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H14 N2 O5 Pt -","- C5 H14 N2 O5 Pt -","- C20 H56 N8 O20 Pt4 -","4","0.5","PA1135","Bréhin, P.; Chottard, J. C.; Kozelka, J.; Bois, C.","Diammine(dimethylmalonato)platinum(II) Monohydrate","Acta Crystallographica Section C","1996","52","5","1186","1188","10.1107/S010827019501482X","","","0.7107","MoKα","","","0.029","","","0.037","","","","","1.05","1.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004920","19.825","0.005","16.714","0.002","4.905","0.001","90","","90","","90","","1625.3","0.6","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","5,6-BENZO-4,7-DIOXA-1,10,14-TRIAZACYCLOHEPTADECANE-2,9-DIONE","","- C16 H23 N3 O4 -","- C16 H23 N3 O4 -","- C64 H92 N12 O16 -","4","0.5","PA1212","","Structure-Based Rationalization of the Ionophore Character of Lead-Selective Amide‒Ether‒Amine-Containing Macrocycles: 2,3-Benzo-1,4-dioxa-7,11,15-triazacycloheptadec-2-ene-6,16-dione and 2,3-Benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione‒Water (1/2)","Acta Crystallographica C","1996","52","","1232","1236","10.1107/S0108270195015198","","","1.5418","CuKα","","0.133","0.039","","0.108","0.039","","","","1.918","1.219","1.219","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004953","13.702","0.002","12.498","0.002","7.894","0.001","90","","90","","90","","1351.8","0.3","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","Hexaiododisilane","Hexaiododisilane","","- I6 Si2 -","- I6 Si2 -","- I24 Si8 -","4","0.5","BR1117","Jansen, M.; Friede, B.","Hexaiododisilane","Acta Crystallographica Section C","1996","52","6","1333","1334","10.1107/S0108270196000820","","","0.71073","MoKα","","0.071","0.0608","","0.1712","0.165","","","","1.232","1.306","1.306","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004990","9.45","0.002","12.383","0.003","14.453","0.002","90","","90","","90","","1691.3","0.6","294.2","","294.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H26 O2 Si W -","- C14 H26 O2 Si W -","- C56 H104 O8 Si4 W4 -","4","0.5","FG1161","Legzdins, P.; Rettig, S. J.; Sayers, S. F.","Dioxo(η^5^-pentamethylcyclopentadienyl)(trimethylsilylmethyl)tungsten(VI)","Acta Crystallographica Section C","1996","52","6","1355","1357","10.1107/S0108270196001217","","","0.71069","MoKα","","0.0962","0.0284","","0.0313","0.0257","","","","","1.267","1.267","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005023","35.656","0.02","9.652","0.005","11.018","0.006","90","","90","","90","","3792","4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","3-oxa-7,10-dibenzyl-7,10-triaza[3.3.3]propellane","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C176 H208 N16 O8 -","8","1","KA1166","Herbstein, F. H.; Kapon, M.; Reisner, G. M.","Comparison of the Geometries of 3,7,10-Tribenzyl-3,7,10-triaza[3.3.3]propellane, (1), 7,10-Dibenzyl-3-<i>p</i>-tolyl-3,7,10-triaza[3.3.3]propellane, (2), and 7,10-Dibenzyl-3-oxa-7,10-diaza[3.3.3]propellane, (3)","Acta Crystallographica Section C","1996","52","6","1539","1543","10.1107/S0108270195016039","","","0.71069","MoKα","","0.1679","0.0702","","0.1691","0.1271","","","","0.982","1.22","1.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005203","9.685","0.0006","6.798","0.0007","15.183","0.001","90","","90","","90","","999.63","0.14","294","1","294","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","6-acetylamino-4-methoxy-2-methylthiopyrimidine","","- C8 H11 N3 O2 S -","- C8 H10 N3 O2 S -","- C32 H40 N12 O8 S4 -","4","0.5","AB1363","Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sanchez, A.","6-Acetamido-4-methoxy-2-methylthiopyrimidine","Acta Crystallographica Section C","1996","52","8","2035","2037","10.1107/S0108270196003423","","","0.7107","MoKα","","0.0852","0.0367","","0.1088","0.0984","","","","0.996","1.195","1.195","","","","","has coordinates,has disorder","200174","2020-10-21","18:00:00",""
"2005341","10.128","0.002","3.5707","0.0006","9.868","0.002","90","","90","","90","","356.87","0.12","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","hafniumphoshide","Trihafniumdiphosphide","","- Hf3 P2 -","- Hf3 P2 -","- Hf12 P8 -","4","0.5","BR1144","Kleinke, H.; Franzen, H. F.","The Binary Hafnium Phosphide Hf~3~P~2~","Acta Crystallographica Section C","1996","52","9","2127","2129","10.1107/S0108270196004969","","","0.71069","MoKα","","0.0428","0.0293","","0.0574","0.0548","","","","1.085","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005367","20.345","0.003","10.316","0.002","6.482","0.001","90","","90","","90","","1360.4","0.4","295.2","","295.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H15 Br2 N O2 -","- C11.5 H13.5 Br2 N0.5 O2 -","- C46 H54 Br8 N2 O8 -","4","0.5","HA1163","Beddoes, R. L.; Zhao, Y.; Joule, J. A.","3a,7a-Dibromo-2-butyl-4,7-methano-1,3,3a,4,7,7a-hexahydro-2<i>H</i>-isoindole-1,3-dione from the Reaction of 3,4-Dibromo-1-butylmaleimide with Cyclopentadiene","Acta Crystallographica Section C","1996","52","9","2313","2315","10.1107/S0108270196007950","","","0.7107","MoKα","","0.1223","0.0371","","0.0313","0.0245","","","","1.271","1.477","1.477","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005405","14.467","0.002","7.391","0.004","11.868","0.003","90","","90","","90","","1269","0.8","292","","292","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Methacryloylcholine iodide","","- C9 H18 I N O2 -","- C9 H18 I N O2 -","- C36 H72 I4 N4 O8 -","4","0.5","NA1215","Angelova, O.; Macícek, J.; Kossev, K.; Koseva, N.","Trimethyl[2-(2-methyl-2-propenoyloxy)ethyl]ammonium Iodide (Methacryloylcholine Iodide)","Acta Crystallographica Section C","1996","52","9","2216","2218","10.1107/S0108270196002855","","","0.71073","MoKα","","0.031","0.026","","0.059","0.041","","","","1.378","0.979","0.979","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005448","6.325","0.002","6.322","0.003","15.597","0.004","90","","90","","90","","623.7","0.4","150","0.2","150","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","Compound 7.H~2~O","6-methylpyridazin-3(2H)-one monohydrate","","- C5 H8 N2 O2 -","- C5 H8 N2 O2 -","- C20 H32 N8 O8 -","4","0.5","AB1367","Blake, A. J.; McNab, H.","Four Simple Pyridazin-3(2<i>H</i>)-ones","Acta Crystallographica Section C","1996","52","10","2622","2627","10.1107/S0108270196005355","","","0.71073","MoKα","","0.0825","0.0481","","0.1529","0.1229","","","","1.035","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005503","9.676","0.002","6.579","0.002","11.215","0.002","90","","90","","90","","713.9","0.3","213","2","213","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3-Hydroxy-2-methyl-4H-pyran-4-on-4-ium Chloride","","- C6 H7 Cl O3 -","- C6 H7 Cl O3 -","- C24 H28 Cl4 O12 -","4","0.5","FG1175","Bilodeau, D.; Beauchamp, A. L.","Maltol Hydrochloride","Acta Crystallographica Section C","1996","52","10","2633","2636","10.1107/S0108270196005550","","","1.54056","CuKα","","0.0337","0.0267","","0.0713","0.0689","","","","0.973","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005606","10.933","0.002","6.4597","0.0014","5.6849","0.0009","90","","90","","90","","401.49","0.13","150","0.2","150","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","1-Methyl-1,3,4-triazole","","- C3 H5 N3 -","- C3 H5 N3 -","- C12 H20 N12 -","4","0.5","CF1129","Palmer, M. H.; Parsons, S.","4-Methyl-1,2,4-triazole and 1-Methyltetrazole","Acta Crystallographica Section C","1996","52","11","2818","2822","10.1107/S0108270196008232","","","1.54184","CuKα","","0.0358","0.0352","","0.0904","0.0896","","","","1.124","1.138","1.138","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005607","5.578","0.002","6.324","0.002","10.799","0.006","90","","90","","90","","380.9","0.3","150","0.2","150","0.2","","","","","","","","3","P n m a","-P 2ac 2n","62","","1-Methyltetrazole","","- C2 H4 N4 -","- C2 H4 N4 -","- C8 H16 N16 -","4","0.5","CF1129","Palmer, M. H.; Parsons, S.","4-Methyl-1,2,4-triazole and 1-Methyltetrazole","Acta Crystallographica Section C","1996","52","11","2818","2822","10.1107/S0108270196008232","","","1.54184","CuKα","","0.036","0.0353","","0.0825","0.0817","","","","1.138","1.152","1.152","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005746","12.632","0.003","13.618","0.002","7.2249","0.0007","90","","90","","90","","1242.8","0.4","292","","292","","","","","","","","","7","P n m a","-P 2ac 2n","62","Gadolinium potassium iron hexacyanide trihydrate","Gadolinium potassium hexacyanoferrate (II) trihydrate","","- C6 H6 Fe Gd K N6 O3 -","- C6 Fe Gd K N6 O3 -","- C24 Fe4 Gd4 K4 N24 O12 -","4","0.5","BR1153","Mullica, D. F.; Ward, J. L.; Sappenfield, E. L.","Gadolinium Potassium Hexacyanoferrate(II) Trihydrate","Acta Crystallographica Section C","1996","52","12","2956","2959","10.1107/S0108270196010840","","","0.71073","MoKα","","0.027","0.023","","0.407","0.043","","","","","1.165","1.165","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005919","23.2581","0.0013","13.8504","0.0006","7.5293","0.0005","90","","90","","90","","2425.4","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba~6~V~4~O~5~S~11~","","- Ba6 O5 S11 V4 -","- Ba6 O5 S11 V4 -","- Ba24 O20 S44 V16 -","4","0.5","BR1155","Litteer, J. B.; Fettinger, J. C.; Eichhorn, B. W.","Ba~6~V~4~O~5~S~11~","Acta Crystallographica Section C","1997","53","2","163","165","10.1107/S0108270196011687","","","0.71073","MoKα","","0.0464","0.0394","","0.1023","0.0979","","","","1.061","1.089","1.089","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005921","9.7337","0.0008","7.2012","0.0006","12.5976","0.0012","90","","90","","90","","883.02","0.13","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Potassium Tungsten Selenide","","","- K2 Se4 W -","- K2 Se4 W -","- K8 Se16 W4 -","4","0.5","BR1161","Röhnert, D.; Näther, C.; Bensch, W.","K~2~WSe~4~","Acta Crystallographica Section C","1997","53","2","165","167","10.1107/S0108270196013765","","","0.71073","MoKα","","0.0605","0.0321","","0.086","0.0788","","","","1.026","1.136","1.136","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006044","7.238","0.001","22.149","0.003","11.244","0.001","90","","90","","90","","1802.6","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","trans-bisaquabis(1,1,1,5,5,5-hexafluoroacetylacetonato)manganese(II) monohydrate","","- C10 H8 F12 Mn O7 -","- C10 H8 F12 Mn O7 -","- C40 H32 F48 Mn4 O28 -","4","0.5","BS1010","Dickman, M. H.","<i>trans</i>-Diaquabis(hexafluoroacetylacetonato-<i>O</i>,<i>O</i>')manganese(II) Monohydrate","Acta Crystallographica Section C","1997","53","4","402","404","10.1107/S010827019601459X","","","0.71073","MoKα","","0.0707","0.0455","","0.1165","0.104","","","","1.075","1.141","1.141","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006090","11.2525","0.0011","7.095","0.0012","18.612","0.002","90","","90","","90","","1485.9","0.3","294","1","294","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,4-Diazabicyclo[2.2.2]octane‒1,3,5-benzenetricarboxylic acid (1/1). .","","- C15 H18 N2 O6 -","- C15 H18 N2 O6 -","- C60 H72 N8 O24 -","4","0.5","AB1456","Meehan, Paul R.; Ferguson, George; Glidewell, Christopher; Patterson, Iain L.J.","Molecular Tiling in the 1:1 Adduct of 1,4-Diazabicyclo[2.2.2]octane and 1,3,5-Benzenetricarboxylic Acid","Acta Crystallographica Section C","1997","53","5","628","631","10.1107/S0108270197001200","","","0.7107","MolybdenumKα","","0.0912","0.0489","","0.1531","0.1407","","","","1.06","1.288","1.288","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006237","11.3664","0.0002","8.8648","0.0002","5.72","0.0001","90","","90","","90","","576.352","0.019","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","catena-Cyclopentadienylcesium","","","- C5 H5 Cs -","- C5 H5 Cs -","- C20 H20 Cs4 -","4","0.5","NA1280","Robert E. Dinnebier; Falk Olbrich; Götz M. Bendele","Cyclopentadienylcaesium by High-Resolution X-ray Powder Diffraction","Acta Crystallographica Section C","1997","53","6","699","701","10.1107/S0108270197001984","","","0.69006","Synchrotron","","0.0545","0.0545","","","0.0746","","","","","1.406","1.406","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006270","17.762","0.002","6.7914","0.0008","8.5267","0.0011","90","","90","","90","","1028.6","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","0.5","BK1307","Rath, Nigam P.; Gu, Hong; Murray, Robert W.","1-Acetyl-3-hydroxyadamantane and 1-Carboxy-3-hydroxyadamantane","Acta Crystallographica Section C","1997","53","7","944","946","10.1107/S010827019700245X","","","0.71073","MoKα","","0.0855","0.0551","","0.1581","0.1395","","","","1.04","1.146","1.146","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006285","5.335","0.003","7.144","0.004","12.438","0.004","90","","90","","90","","474.1","0.4","298","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca2 F Na O4 Si -","- Ca1.92 F Na1.08 O4 Si -","- Ca7.68 F4 Na4.32 O16 Si4 -","4","0.5","BR1103","Andaχ c, Ö.; Glasser, F. P.; Howie, R. A.","Dicalcium Sodium Fluoride Silicate","Acta Crystallographica Section C","1997","53","7","831","833","10.1107/S0108270197000449","","","0.71073","MoKα","","","0.047","","","0.06","","","","","0.81","0.81","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006369","7.227","0.001","34.729","0.002","9.221","0.002","90","","90","","90","","2314.3","0.6","296","","296","","","","","","","","","3","P n m a","-P 2ac 2n","62","5,8-dimethoxy-1-naphthoic acid","","","- C13 H12 O4 -","- C13 H12 O4 -","- C104 H96 O32 -","8","1","BS1029","Blackburn, Anthony C.; Gerkin, Roger E.","5,8-Dimethoxy-1-naphthoic Acid and Methyl 5,8-Dimethoxy-1-naphthoate","Acta Crystallographica Section C","1997","53","8","1077","1080","10.1107/S0108270197004940","","","0.71073","MoKα","","","0.049","","","0.036","","","","","2.06","2.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006410","15.2699","0.0009","6.833","0.002","19.9199","0.0013","90","","90","","90","","2078.4","0.6","293","1","293","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C96 H112 O24 -","8","1","KH1143","Gable, Robert W.; Gan, Chee Yong; Lambert, John N.","Methyl 8-Hydroxy-1,2,3,4-tetrahydronaphthalene-5-carboxylate","Acta Crystallographica Section C","1997","53","8","1122","1124","10.1107/S0108270197002898","","","1.5418","CuKα(nickelfiltered)","","0.095","0.05","","0.151","0.121","","","","1.027","1.151","1.151","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2006505","12.724","0.0004","6.703","0.0005","16.8484","0.0013","90","","90","","90","","1436.98","0.16","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Monomeric (Pyrazine)(N-salicylideneaminoisobutyrato)copper(II)","","- C15 H15 Cu N3 O3 -","- C15 H15 Cu N3 O3 -","- C60 H60 Cu4 N12 O12 -","4","0.5","JZ1198","Warda, Salam A.","Monomeric (Pyrazine-<i>N</i>)(<i>N</i>-salicylidene-α-amino-2-methylpropanoato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1997","53","9","1186","1188","10.1107/S010827019700543X","","","0.71073","MoKα","","0.0318","0.0263","","0.0814","0.0779","","","","1.087","1.118","1.118","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006522","19.923","0.005","41.216","0.009","10.068","0.003","90","","90","","90","","8267","4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","catena-poly[hexakis(acetonitrile)aluminium tri{[tetrachlorotellurate(IV)]μ-chloro}]-acetonitrile solvate,","","- C14 H21 Al Cl15 N7 Te3 -","- C14 H21.5 Al Cl15 N7 Te3 -","- C112 H172 Al8 Cl120 N56 Te24 -","8","1","MU1301","Favier, F.; Pascal, J. L.; Belin, C.; Tillard-Charbonnel, M.","A New Pentachlorotellurate(IV): <i>catena</i>-Poly[hexakis(acetonitrile)aluminium tris[tetrachlorotellurate(IV)-μ-chloro] acetonitrile]","Acta Crystallographica Section C","1997","53","9","1234","1236","10.1107/S0108270197004824","","","0.7107","MoKα","","0.0379","0.0375","","0.0812","0.0788","","","","1.013","1.013","1.013","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006589","7.667","0.001","6.862","0.001","14.608","0.002","90","","90","","90","","768.54","0.18","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Coppermolybdate","","- Cu3 Mo2 O9 -","- Cu3 Mo2 O9 -","- Cu12 Mo8 O36 -","4","0.5","JZ1185","Udo Steiner; Werner Reichelt","A Reinvestigation of Cu~3~Mo~2~O~9~, a Compound Containing Copper(II) in Compressed Octahedral Coordination","Acta Crystallographica Section C","1997","53","10","1371","1373","10.1107/S0108270197005751","","","0.71073","MoKα","","0.0316","0.0307","","0.0729","0.0724","","","","1.338","1.344","1.344","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006626","6.536","0.004","15.626","0.003","10.029","0.002","90","","90","","90","","1024.3","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","calcium yttrium silicate","tricalcium diyitrium trisilicon oxide","","- Ca3 O12 Si3 Y2 -","- Ca2.998 O12 Si3 Y1.998 -","- Ca11.992 O48 Si12 Y7.992 -","4","0.5","TA1145","Yamane, Hisanori; Nagasawa, Toru; Shimada, Masahiko; Endo, Tadashi","Ca~3~Y~2~(SiO~4~)~3~","Acta Crystallographica Section C","1997","53","10","1367","1369","10.1107/S0108270197005593","","","0.71069","MoKα","","0.0367","0.0347","","0.0998","0.098","","","","1.038","1.053","1.053","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006763","16.876","0.003","14.756","0.002","13.541","0.002","90","","90","","90","","3372","0.9","173","2","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Tetrachlorocatecholatochlorotripyridyl indium(III) diethylether solvate","","- C29 H35 Cl5 In N3 O4 -","- C29 H35 Cl5 In N3 O4 -","- C116 H140 Cl20 In4 N12 O16 -","4","0.5","BM1155","Lawson, Yvonne G.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.","Mononuclear Indium and Gallium Tetrachlorocatecholate Complexes","Acta Crystallographica Section C","1997","53","12","1805","1809","10.1107/S0108270197010901","","","0.71073","MoKα","","0.0655","0.0456","","0.1213","0.1062","","","","1.169","1.167","1.167","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006784","7.288","0.002","10.287","0.007","5.071","0.003","90","","90","","90","","380.2","0.4","103","","103","","","","","","","","","3","P n m a","-P 2ac 2n","62","pyrrole","1-aza-cyclopentadiene","","- C4 H5 N -","- C4 H5 N -","- C16 H20 N4 -","4","0.5","CF1172","Richard Goddard; Oliver Heinemann; Carl Krüger","Pyrrole and a Co-crystal of 1<i>H</i>- and 2<i>H</i>-1,2,3-Triazole","Acta Crystallographica Section C","1997","53","12","1846","1850","10.1107/S0108270197009682","","","0.71069","MoKα","","0.0815","0.0584","","0.1509","0.1436","","","","0.97","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006796","21.21","0.009","14.745","0.006","11.807","0.005","90","","90","","90","","3693","3","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","(33,34,35-Trimethoxy-5,10,15-trimethyl-22,25,30-trioxa-1,19-diazapentacyclo [17.5.5.1^3,7^,1^8,12^.1^13,17^] pentatriaconta-3,5,7(35),8,10,12(34),13,15,17(33)-nonaene potassium thiocyanate","","- C37 H48 K N3 O6 S -","- C37 H48 K N3 O6 S -","- C148 H192 K4 N12 O24 S4 -","4","0.5","FG1280","Knobler, Carolyn B.; Maverick, Emily F.; Trueblood, Kenneth N.; Ho, Siew Peng","A K^+^ Complex of a [2.1]Cryptahemispherand at 295K","Acta Crystallographica Section C","1997","53","12","1832","1834","10.1107/S0108270197009542","","","0.7107","MoKα","","0.1167","0.0755","","0.2207","0.2016","","","","1.071","1.228","1.228","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006798","16.055","0.004","15.37","0.004","14.64","0.003","90","0.02","90","0.02","90","0.02","3612.6","1.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","33,34,35-Trimethoxy-5,10,15-trimethyl-22,25,30-trioxa-1,19-diazapentacyclo [17.8.5.1^3,7^,1^8,12^.1^13,17^] pentatriaconta-3,5,7(35),8,10,12(34),13,15,17(33)-nonaene-2,18-dione)","","- C36 H44 N2 O8 -","- C36 H44 N2 O8 -","- C144 H176 N8 O32 -","4","0.5","FG1281","Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng","Two Isomeric [2.1]Cryptahemispherand Diamides","Acta Crystallographica Section C","1997","53","12","1835","1838","10.1107/S0108270197009554","","","1.54184","CuKα","","0.0687","0.0601","","0.1724","0.1616","","","","1.056","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006844","12.433","0.002","25.248","0.004","5.59","0.001","90","","90","","90","","1754.7","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Endo,endo-2,5-bis(phenylsulfenyl)-9-oxabicyclo[4.2.1]nonane","","- C20 H22 O S2 -","- C20 H22 O S2 -","- C80 H88 O4 S8 -","4","0.5","LN1000","Hegemann, Klaus; Haufe, Günter; Fröhlich, Roland; Zippel, Frank","Three 2,5-Disubstituted 9-Oxabicyclo[4.2.1]nonanes. Transannular O-Heterocyclization Products of Cycloocta-1,5-diene","Acta Crystallographica Section C","1997","53","12","1889","1892","10.1107/S0108270197011748","","","0.71073","MoKα","","0.1037","0.0566","","0.1843","0.165","","","","1.059","1.217","1.217","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006929","11.1567","0.0005","25.439","0.002","11.7631","0.0006","90","","90","","90","","3338.5","0.3","294.2","","294.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","Cobalt(3,5-di-t-butylsaltmen)","Bis[N,N,N',N'-tetramethyl-1,2-diaminoethane-1,2-bis(3,5-di-t-butyl- salicylideneiminato)]cobalt(II)","","- C36 H54 Co N2 O2 -","- C36 H51 Co N2 O2 -","- C144 H204 Co4 N8 O8 -","4","0.5","FR1070","Lyon, David K.; Miller, Brian E.; Miller, Warren K.; Tyler, David R.; Weakley, Timothy J. R.","[<i>N</i>,<i>N</i>'-(1,1,2,2-Tetramethylethylene)bis(3,5-di-<i>tert</i>-butylsalicylideneiminato)]cobalt(II)","Acta Crystallographica Section C","1998","54","1","20","22","10.1107/S010827019701264X","","","0.71073","MoKα","","","0.04","","","0.045","","","","","2.33","2.33","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006930","13.979","0.002","12.608","0.007","8.024","0.002","90","","90","","90","","1414.2","0.9","294","","294","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H12 O2 -","- C20 H12 O2 -","- C80 H48 O8 -","4","0.5","FR1071","Fu, Tai Y.; Gamlin, Janet N.; Olovsson, Gunnar; Scheffer, John R.; Trotter, James; Young, Dean T.","Photochemistry of Triptycene-1,4-quinone","Acta Crystallographica Section C","1998","54","1","116","119","10.1107/S0108270197012109","","","0.7107","MoKα","","","0.058","","","","0.177","","","","","","1.087","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006978","13.451","0.003","14.746","0.003","9.402","0.003","90","","90","","90","","1864.9","0.8","299","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","trans-Bis(acetylacetonato)(3-methylpyridine)nitrocobalt(III)","","- C16 H21 Co N2 O6 -","- C16 H21 Co N2 O6 -","- C64 H84 Co4 N8 O24 -","4","0.5","TA1185","Miyazaki, Hiroki; Tsuchimoto, Masanobu; Ohba, Shigeru","<i>trans</i>-Bis(acetylacetonato-<i>O</i>,<i>O</i>')(3-methylpyridine-<i>N</i>)nitrocobalt(III)","Acta Crystallographica Section C","1998","54","1","46","47","10.1107/S0108270197012699","","","0.71073","MoKα","","","0.048","","","0.041","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007038","13.18","0.002","5.8904","0.0008","5.056","0.0005","90","","90","","90","","392.52","0.09","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Cadmium selenite monohydrate","Cadmium trioxoxselenate(IV) monohydrate","","- Cd H2 O4 Se -","- Cd H2 O4 Se -","- Cd4 H8 O16 Se4 -","4","0.5","SK1149","Bäumer, Ulrich; Engelen, Bernward; Müller, Holger","Intralayer Hydrogen Bonding in CdSeO~3~.H~2~O","Acta Crystallographica Section C","1998","54","2","169","171","10.1107/S0108270197014042","","","0.71069","MoKα","","0.0191","0.0186","","0.044","0.0438","","","","1.29","1.299","1.299","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007141","10.3139","0.0009","7.3105","0.0005","16.735","0.001","90","","90","","90","","1261.82","0.16","298","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H13 N O2 Si -","- C11 H13 N O2 Si -","- C44 H52 N4 O8 Si4 -","4","0.5","BK1347","Garcia, J. Gabriel; Asfaw, Bruktawit; Rodriguez, Augusto; Fronczek, Frank R.","4-Nitro-1-(trimethylsilylethynyl)benzene","Acta Crystallographica Section C","1998","54","4","489","491","10.1107/S0108270197012407","","","1.54184","CuKα","","","0.046","","","0.051","","","","","2.17","2.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007217","12.178","0.003","13.885","0.003","7.143","0.003","90","","90","","90","","1207.8","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Diaquacobalt Tetracyanonickelate Tetrahydrate","","- C4 H12 Co N4 Ni O6 -","- C4 H12 Co N4 Ni O6 -","- C16 H48 Co4 N16 Ni4 O24 -","4","0.5","BS1042","Niu, Tianyan; Crisci, Gerardo; Lu, Jian; Jacobson, Allan J.","Diaquacobalt Tetracyanonickelate Tetrahydrate","Acta Crystallographica Section C","1998","54","5","565","567","10.1107/S0108270197018003","","","0.71073","MoKα","","0.0463","0.0362","","0.1069","0.1028","","","","1.061","1.124","1.124","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007230","10.855","0.001","16.045","0.002","10.516","0.002","90","","90","","90","","1831.6","0.4","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H33 Cl Si -","- C18 H33 Cl Si -","- C72 H132 Cl4 Si4 -","4","0.5","FR1098","Lindfors, Britt E.; Male, Jonathan L.; Tyler, David R.; Weakley, Timothy J.R.","Chlorotricyclohexylsilane, C~18~H~33~ClSi","Acta Crystallographica Section C","1998","54","5","694","695","10.1107/S0108270197017745","","","0.71073","MoKα","","0.048","0.043","","0.077","0.073","","","","1.43","1.47","1.47","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007293","16.675","0.003","7.163","0.001","8.1","0.002","90","","90","","90","","967.5","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Trimethylammoniumnickel(II)chloridedihydrate","Trimethylammoniumdiaquodichloronickel(II)chloride","","- C3 H14 Cl3 N Ni O2 -","- C3 H14 Cl3 N Ni O2 -","- C12 H56 Cl12 N4 Ni4 O8 -","4","0.5","AB1508","Thiele, Gerhard; Wittenburg, Gunnar","Trimethylammonium Nickel(II) Chloride Dihydrate","Acta Crystallographica Section C","1998","54","6","764","766","10.1107/S0108270198000109","","","0.71069","MoKα","","0.0836","0.0271","","","","0.0789","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007364","18.317","0.013","14.59","0.007","7.431","0.003","90","","90","","90","","1985.9","1.9","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","pyridinium pentachloropyridinemolybdate(III)","","- C15 H17 Cl5 Mo N3 -","- C15 H17 Cl5 Mo N3 -","- C60 H68 Cl20 Mo4 N12 -","4","0.5","NA1339","Modec, Barbara; Papoular, Robert; Brenčič, Jurij V.","Bis(pyridinium) Pentachloro(pyridine-<i>N</i>)molybdate(III)","Acta Crystallographica Section C","1998","54","6","736","738","10.1107/S0108270198000237","","","0.71073","MoKα","","0.095","0.039","","0.042","0.033","","","","1.274","1.459","1.459","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007375","12.984","0.002","6.893","0.001","17.224","0.002","90","","90","","90","","1541.5","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","0.5","SK1089","Işik, Şamil; Aygün, Muhittin; Kocaokutgen, Hasan; Tahir, M. Nawaz; Büyükgüngör, Orhan; Erdönmez, Ahmet","3-<i>tert</i>-Butyl-2hydroxy-5-methoxyazobenzene","Acta Crystallographica Section C","1998","54","6","859","860","10.1107/S0108270198000286","","","0.71069","MoKα","","0.0792","0.044","","0.113","0.1032","","","","1.055","1.219","1.219","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007410","11.999","0.002","15.45","0.002","13.197","0.002","90","","90","","90","","2446.5","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Ferrocenium μ-bromo-bis(dibromodimethylstannate(IV))","","- C14 H22 Br5 Fe Sn2 -","- C14 H22 Br5 Fe Sn2 -","- C56 H88 Br20 Fe4 Sn8 -","4","0.5","BM1212","Razak, Ibrahim Abdul; Fun, Hoong-Kun; Yamin, Bohari M.; Boshaala, Ahmed M. A.; Chinnakali, Kandasamy","Ferrocenium μ-Bromo-bis[dibromodimethylstannate(IV)]","Acta Crystallographica Section C","1998","54","7","912","914","10.1107/S0108270198002352","","","0.71073","MoKα","","0.2","0.043","","0.107","0.081","","","","0.704","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007484","9.627","0.002","11.119","0.002","9.562","0.002","90","","90","","90","","1023.5","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Trirubidium niobium tetrasulfide","","","- Nb Rb3 S4 -","- Nb Rb3 S4 -","- Nb4 Rb12 S16 -","4","0.5","SK1159","Krause, Oliver; Näther, Christian; Jeß, Inke; Bensch, Wolfgang","Trirubidium Tetrathioniobate","Acta Crystallographica Section C","1998","54","7","902","904","10.1107/S0108270198001723","","","0.71073","MoKα","","0.0539","0.0292","","0.0748","0.0677","","","","1.016","1.052","1.052","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007505","9.384","0.002","9.182","0.002","10.997","0.003","90","","90","","90","","947.5","0.4","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","Sodium managanese tellurate","","","- Mn4 Na3 O12 Te2 -","- Mn4 Na3 O12 Te2 -","- Mn16 Na12 O48 Te8 -","4","0.5","BR1203","Feger, Christopher R.; Kolis, Joseph W.","Na~3~Mn~4~Te~2~O~12~","Acta Crystallographica Section C","1998","54","8","1055","1057","10.1107/S0108270197020076","","","0.71073","MoKα","","0.068","0.048","","0.05","0.049","","","","","2.64","2.64","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007559","12.799","0.001","19.842","0.002","6.079","0.001","90","","90","","90","","1543.8","0.3","292","","292","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis-ethanediammoniumchloride tetrachloromercurate","","- C4 H20 Cl6 Hg N4 -","- C4 H20 Cl6 Hg N4 -","- C16 H80 Cl24 Hg4 N16 -","4","0.5","QB0047","Spengler, Roland; Zouari, Ridha; Ben Salah, Abdelhamid; Zimmermann, Helmuth; Burzlaff, Hans","Redetermination of Bis(1,2-ethanediammonium) Dichloride Tetrachloromercurate(II)","Acta Crystallographica Section C","1998","54","8","IUC9800034","","10.1107/S0108270198099491","","","0.70926","MoKα1","","","0.04","","","0.052","","","","","0.97","0.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007595","15.3046","0.001","14.5739","0.001","6.4175","0.0006","90","","90","","90","","1431.41","0.19","180","2","180","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","7-Methyl-3,7,11,17-tetra-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene","","- C14 H24 N4 -","- C14 H24 N4 -","- C56 H96 N16 -","4","0.5","CF1244","Corden, Jonathan P.; Errington, William; Moore, Peter; Wallbridge, Malcolm G.H.","7-Methyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene","Acta Crystallographica Section C","1998","54","9","1327","1329","10.1107/S0108270198004387","","","0.71073","MoKα","","0.0658","0.0479","","","","0.1222","","","","","","1.162","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007600","18.005","0.003","7.497","0.003","11.796","0.002","90","","90","","90","","1592.3","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Vanadyl diarsénovanadate de césium","","- As2.54 Cs2 O17 V4.46 -","- As2.54 Cs2 O17 V4.46 -","- As10.16 Cs8 O68 V17.84 -","4","0.5","DU1175","Haddad, Amor; Boughzala, Habib; Jouini, Tahar","Cs~2~V~3~(As~0,635~V~0,365~)~4~O~17~","Acta Crystallographica Section C","1998","54","9","1202","1204","10.1107/S0108270197007415","","","0.71069","RadiationMoKα","","0.0606","0.0307","","0.0682","0.0592","","","","1.133","1.183","1.183","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007769","11.0167","0.001","13.6197","0.0008","15.4733","0.0011","90","","90","","90","","2321.7","0.3","294","1","294","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","Tetraethylammonium [bromo(1,3-dithiole-2-one-4,5-dithiolato) diethylstannate(1-)]","","- C15 H30 Br N O S4 Sn -","- C15 H26.34 Br N O S4 Sn -","- C60 H105.36 Br4 N4 O4 S16 Sn4 -","4","0.5","SK1200","Chohan, Zahid H.; Wardell, James L.; Low, John N.; Meehan, Paul R.; Ferguson, George","Tetraethylammonium Bromo(1,3-dithiol-2-one-4,5-dithiolato)diethylstannate(1‒)","Acta Crystallographica Section C","1998","54","10","1401","1403","10.1107/S0108270198006027","","","0.7107","MoKα","","0.11","0.048","","","","0.153","","","","","","1.021","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007804","13.7463","0.0008","8.6401","0.0004","11.9943","0.0012","90","","90","","90","","1424.56","0.18","213","2","213","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","ferrocenium tetrachloroferrate","","- C10 H10 Cl4 Fe2 -","- C10 H10 Cl4 Fe2 -","- C40 H40 Cl16 Fe8 -","4","0.5","FG1462","Cotton, F. Albert; Daniels, Lee M.; Pascual, Isabel","Ferrocenium Tetrachloroferrate Revisited, and Ferrocenium Tetrachloroaluminate","Acta Crystallographica Section C","1998","54","11","1575","1578","10.1107/S0108270198007215","","","0.71073","MoKα","","0.038","0.035","","0.084","0.082","","","","1.179","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007805","13.788","0.006","8.643","0.002","12.009","0.006","90","","90","","90","","1431.1","1","213","2","213","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","ferrocenium tetrochloroaluminate","","- C10 H10 Al Cl4 Fe -","- C10 H10 Al Cl4 Fe -","- C40 H40 Al4 Cl16 Fe4 -","4","0.5","FG1462","Cotton, F. Albert; Daniels, Lee M.; Pascual, Isabel","Ferrocenium Tetrachloroferrate Revisited, and Ferrocenium Tetrachloroaluminate","Acta Crystallographica Section C","1998","54","11","1575","1578","10.1107/S0108270198007215","","","0.71073","MoKα","","0.073","0.059","","0.144","0.134","","","","1.146","1.159","1.159","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007938","6.978","0.0001","17.156","0.003","13.996","0.003","90","","90","","90","","1675.5","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Maleate)(aqua)(4,4'dimethyl-2,2'-bipyridine) copper(II) dihydrate","","- C15 H20 Cu N2 O7 -","- C15 H20 Cu N2 O7 -","- C60 H80 Cu4 N8 O28 -","4","0.5","FR1117","Gasque, Laura; Moreno-Esparza, Rafael; Mollins, Elies; Briansó-Penalva, José Luis; Ruiz-Ramírez, Lena; Medina-Dickinson, Gerardo","Aqua(4,4'-dimethyl-2,2'-bipyridine-<i>N</i>,<i>N</i>')(malonato-<i>O</i>,<i>O</i>')copper(II) Dihydrate","Acta Crystallographica Section C","1998","54","12","1848","1850","10.1107/S0108270198008178","","","0.71073","MoKα","","0.13","0.041","","","0.102","0.115","","","","","","0.956","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007965","8.599","0.002","11.992","0.002","14.844","0.004","90","","90","","90","","1530.7","0.6","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dimethylammonium Pentachloroantimonate (III)","","- C4 H16 Cl5 N2 Sb -","- C4 H16 Cl5 N2 Sb -","- C16 H64 Cl20 N8 Sb4 -","4","0.5","KA1283","Bujak, Maciej; Zaleski, Jacek","Bis(dimethylammonium) Pentachloroantimonate(III), on the Deformation of the Octahedral Coordination of Sb^III^","Acta Crystallographica Section C","1998","54","12","1773","1777","10.1107/S0108270198008865","","","0.71073","MoKα","","0.0427","0.0231","","","","0.062","","","","","","0.973","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007966","8.541","0.002","11.873","0.002","14.83","0.003","90","","90","","90","","1503.9","0.5","85","2","300","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dimethylammonium Pentachloroantimonate (III)","","- C4 H16 Cl5 N2 Sb -","- C4 H16 Cl5 N2 Sb -","- C16 H64 Cl20 N8 Sb4 -","4","0.5","KA1283","Bujak, Maciej; Zaleski, Jacek","Bis(dimethylammonium) Pentachloroantimonate(III), on the Deformation of the Octahedral Coordination of Sb^III^","Acta Crystallographica Section C","1998","54","12","1773","1777","10.1107/S0108270198008865","","","0.71073","MoKα","","0.0357","0.0278","","","","0.055","","","","","","1.069","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008017","8.9459","0.0002","5.4133","0.0002","13.2114","0.0003","90","","90","","90","","639.79","0.03","299","2","299","2","","","","","","","","3","P n m a","-P 2ac 2n","62","α strontium diphosphate","α distrontium diphosphate","","- O7 P2 Sr2 -","- O7 P2 Sr2 -","- O28 P8 Sr8 -","4","0.5","QB0066","Jacques Barbier; Jean-Philippe Echard","A New Refinement of α-Sr~2~P~2~O~7~","Acta Crystallographica Section C","1998","54","12","IUC9800070","","10.1107/S0108270198099181","","","0.71073","MoKα","","0.0268","0.0206","","0.0471","0.0458","","","","1.248","1.29","1.29","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008023","9.315","0.002","10.849","0.002","9.407","0.002","90","","90","","90","","950.7","0.3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","tripotassium-tantalum-tetrasulfide","","","- K3 S4 Ta -","- K3 S4 Ta -","- K12 S16 Ta4 -","4","0.5","SK1197","Herzog, Sabine; Näther, Christian; Bensch, Wolfgang","K~3~Ta S~4~","Acta Crystallographica Section C","1998","54","12","1742","1744","10.1107/S0108270198007641","","","0.71073","MoKα","","0.0332","0.0304","","0.0781","0.076","","","","1.103","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008056","9.256","0.003","9.726","0.003","12.073","0.003","90","","90","","90","","1086.9","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl4 K3 N O3 Zn -","- Cl4 K3 N O3 Zn -","- Cl16 K12 N4 O12 Zn4 -","4","0.5","","Carter, Robert L.; Zompa, Leverett J.","The Double-Anion Salts M~3~[ZnCl~4~]NO~3~ (M = K^+^ and NH~4~^+^)","Acta Crystallographica Section C","1999","55","","06","08","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2008057","9.268","0.003","10.042","0.003","12.482","0.003","90","","90","","90","","1161.7","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl4 H12 N4 O3 Zn -","- Cl4 H12 N4 O3 Zn -","- Cl16 H48 N16 O12 Zn4 -","4","0.5","","Carter, Robert L.; Zompa, Leverett J.","The Double-Anion Salts M~3~[ZnCl~4~]NO~3~ (M = K^+^ and NH~4~^+^)","Acta Crystallographica Section C","1999","55","","06","08","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008081","13.0323","0.0003","23.9443","0.0001","3.7927","0.0001","90","","90","","90","","1183.51","0.04","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-Aminopyrimidine-Terephthalic acid (1:1) complex","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C48 H44 N12 O16 -","4","0.5","HA1229","Shyamaprosad Goswami; Ajit Kumar Mahapatra; Kumaresh Ghosh; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun","2-Aminopyrimidine‒terephthalic acid (1:1) complex","Acta Crystallographica Section C","1999","55","1","87","89","10.1107/S0108270198010749","","","0.71073","MoKα","","0.0532","0.0384","","0.1055","0.0939","","","","1.073","1.098","1.098","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008219","17.882","0.005","6.8049","0.0009","11.712","0.006","90","","90","","90","","1425.2","0.9","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H13 Ca2 N O11 -","- C6 H13 Ca2 N O11 -","- C24 H52 Ca8 N4 O44 -","4","0.5","BM1288","Cooksey, Brian G.; Gibson, Lorraine T.; Kennedy, Alan R.; Littlejohn, David; Stewart, Lesley; Tennent, Norman H.","Dicalcium triacetate nitrate dihydrate","Acta Crystallographica Section C","1999","55","3","324","326","10.1107/S0108270198012864","","","0.71069","MoKα","","0.085","0.035","","","","0.106","","","","","","1.023","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008249","6.9403","0.0005","9.948","0.0007","9.5931","0.0007","90","","90","","90","","662.33","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H6 O6 Pb -","- C4 H6 O6 Pb -","- C16 H24 O24 Pb4 -","4","0.5","FG1511","Norberg, Stefan; Svensson, Göran; Albertsson, Jörgen","Lead(II) oxydiacetate hydrate","Acta Crystallographica Section C","1999","55","3","356","358","10.1107/S0108270198014115","","","0.71073","MoKα","","0.061","0.044","","0.129","","0.112","","","1.158","","","1.197","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2008271","13.59","0.002","6.581","0.0011","9.9321","0.0014","90","","90","","90","","888.3","0.2","293","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Guanine dihydrochloride","","- C5 H7 Cl2 N5 O -","- C5 H7 Cl2 N5 O -","- C20 H28 Cl8 N20 O4 -","4","0.5","JZ1324","Matković-Čalogović, Dubravka; Sanković, Krešimir","Guaninium dichloride","Acta Crystallographica Section C","1999","55","3","467","469","10.1107/S0108270198014607","","","0.71073","MoKα","","0.098","0.039","","","","0.108","","","","","","1.016","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008286","17.836","0.004","9.805","0.002","5.813","0.001","90","","90","","90","","1016.6","0.4","103","2","103","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","2,2,5,5-tetramethyl-hex-3-yne","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","0.5","QA0089","Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","2,2,5,5-Tetramethylhex-3-yne at 281K","Acta Crystallographica Section C","1999","55","3","IUC9900016","","10.1107/S0108270199099746","","","0.71073","MoKα","","0.063","0.05","","","","0.145","","","","","","1.046","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008351","16.38","0.003","6.536","0.002","8.514","0.002","90","","90","","90","","911.5","0.4","296.2","","296.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","2,3-Dicyano-1,4-dihydroxybenzene","","","- C8 H2 Cl2 N2 O2 -","- C8 H2 Cl2 N2 O2 -","- C32 H8 Cl8 N8 O8 -","4","0.5","FG1531","Hoshina, Gakuse; Ohba, Shigeru; Tsuchimoto, Masanobu","Redetermination of 2,3-dichloro-5,6-dicyano-1,4-dihydroxybenzene","Acta Crystallographica Section C","1999","55","4","592","594","10.1107/S0108270198017399","","","0.7107","MoKα","","0.038","0.031","","","","0.058","","","","","","0.991","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008394","15.005","0.003","20.397","0.004","6.342","0.0013","90","","90","","90","","1941","0.7","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","tri-p-tolyltriazine","2,4,6-tris-(4-Methylphenyl)-1,3,5-triazine","","- C24 H21 N3 -","- C24 H21 N3 -","- C96 H84 N12 -","4","0.5","OA1078","Thalladi, Venkat R.; Muthuraman, Meiyappan; Nangia, Ashwini; Desiraju, Gautam R.","Tri-<i>p</i>-tolyl-1,3,5-triazine","Acta Crystallographica Section C","1999","55","4","698","700","10.1107/S0108270198018496","","","0.71073","MoKα","","0.072","0.049","","0.14","0.121","","","","1.171","1.191","1.191","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008709","15.423","0.002","18.571","0.004","5.8691","0.0008","90","","90","","90","","1681","0.5","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","1,1-di(4-methoxy phenyl)-3,3-dimethyl-2-butanone","","","- C20 H24 O3 -","- C20 H24 O3 -","- C80 H96 O12 -","4","0.5","QA0119","Srinivasan S. Kuduva; Amy K. Katz; H. L. Carrell; Gautam R. Desiraju","1,1-Bis(4-methoxyphenyl)-3,3-dimethylbutan-2-one","Acta Crystallographica Section C","1999","55","7","IUC9900073","","10.1107/S0108270199099230","","","0.71073","MoKα","","0.113","0.059","","","","0.177","","","","","","0.905","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008760","9.205","0.003","4.4822","0.001","17.8738","0.0013","90","","90","","90","","737.4","0.3","293","2","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ag Cl3 Rb2 -","- Ag Cl3 Rb2 -","- Ag4 Cl12 Rb8 -","4","0.5","BR1243","Hasselgren, Catrin; Jagner, Susan","Dirubidium <i>catena</i>-poly[dichloroargentate(I)-μ-chloro]","Acta Crystallographica Section C","1999","55","8","1208","1210","10.1107/S0108270199006277","","","0.71073","MoKα","","","0.035","","","","0.094","","","","","","1.046","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008849","10.293","0.002","11.909","0.002","10.252","0.002","90","","90","","90","","1256.7","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","tricαesium niobium tetraselenide","","- Cs3 Nb Se4 -","- Cs3 Nb Se4 -","- Cs12 Nb4 Se16 -","4","0.5","SK1211","Krause, Oliver; Näther, Christian; Bensch, Wolfgang","Cs~3~NbSe~4~","Acta Crystallographica Section C","1999","55","8","1197","1199","10.1107/S0108270199004941","","","0.71073","MoKα","","0.057","0.036","","","","0.095","","","","","","1.056","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008881","13.332","0.001","6.0756","0.0005","8.3258","0.0006","90","","90","","90","","674.39","0.09","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H Na O7 Se2 Zn2 -","- H Na O7 Se2 Zn2 -","- H4 Na4 O28 Se8 Zn8 -","4","0.5","CF1315","Harrison, William T. A.; Phillips, Mark L. F.","Sodium zinc hydroxide selenite, NaZn~2~(OH)(SeO~3~)~2~","Acta Crystallographica Section C","1999","55","9","1398","1399","10.1107/S010827019900637X","","","0.71073","MoKα","","","0.029","","","","0.032","","","","","","1.09","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009108","9.645","0.008","9.994","0.002","12.918","0.006","90","","90","","90","","1245.2","1.2","203","2","203","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","bis(trimetylamine) aluminiumtrichloride","","- C6 H18 Al Cl3 N2 -","- C6 H18 Al Cl3 N2 -","- C24 H72 Al4 Cl12 N8 -","4","0.5","CF1327","Gelbrich, Thomas; Dümichen, Ulf; Sieler, Joachim","Bis-adduct of trimethylamine with aluminium trichloride","Acta Crystallographica Section C","1999","55","11","1797","1798","10.1107/S0108270199009658","","","0.71069","MoKα","","0.026","0.02","","","","0.059","","","","","","1.053","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009166","15.502","0.007","10.91","0.004","3.848","0.001","90","","90","","90","","650.8","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Niobium heptaoxide chloride","","- Cl Nb3 O7 -","- Cl Nb3 O7 -","- Cl4 Nb12 O28 -","4","0.5","QA0167","Kim, Jongmin; Dong, Yongkwan; Yun, Hoseop","Redetermination of Nb~3~O~7~Cl","Acta Crystallographica Section C","1999","55","11","IUC9900133","","10.1107/S0108270199098601","","","0.7107","MoKα","","0.038","0.037","","","","0.0981","","","","","","1.14","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009185","6.3618","0.0014","7.5586","0.0012","11.059","0.002","90","","90","","90","","531.79","0.17","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F5 H8 N2 Ti -","- F5 H8 N2 Ti -","- F20 H32 N8 Ti4 -","4","0.5","SK1262","Dadachov, Mike; Eriksson, Lars","Diammonium titanium pentafluoride, (NH~4~)~2~TiF~5~, containing Ti^3+^","Acta Crystallographica Section C","1999","55","11","1739","1741","10.1107/S0108270199008689","","","0.71073","MoKα","","0.0779","0.0333","","","","0.0649","","","","","","0.737","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009188","9.6596","0.0018","7.0354","0.0012","12.436","0.002","90","","90","","90","","845.1","0.3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Rubidiumtetrathiomolybdat","dirubidium tetrasulfidomolybdate(2-)","","- Mo Rb2 S4 -","- Mo Rb2 S4 -","- Mo4 Rb8 S16 -","4","0.5","SK1304","Ellermeier, Jan; Näther, Christian; Bensch, Wolfgang","Rb~2~MoS~4~","Acta Crystallographica Section C","1999","55","11","1748","1751","10.1107/S0108270199008549","","","0.71073","MoKα","","0.048","0.027","","","","0.066","","","","","","0.998","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009217","16.161","0.006","9.262","0.002","7.133","0.003","90","","90","","90","","1067.7","0.6","297","2","297","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","copper(I) cyanide/morpholine 3/1","","- C7 H9 Cu3 N4 S -","- C7 H9 Cu3 N4 S -","- C28 H36 Cu12 N16 S4 -","4","0.5","BK1494","Britton, Doyle; Stocker, Fred B.; Staeva, Teodora P.","Copper(I) cyanide‒thiomorpholine (3/1)","Acta Crystallographica Section C","1999","55","12","2014","2016","10.1107/S0108270199011622","","","0.71073","MoKα","","0.0849","0.051","","0.125","","0.111","","","0.985","","","1.08","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009230","6.722","0.002","11.088","0.002","13.475","0.004","90","","90","","90","","1004.3","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As3 Ba3 O Ta -","- As3 Ba3 O Ta -","- As12 Ba12 O4 Ta4 -","4","0.5","BR1254","Derrien, Gaëlle; Monconduit, Laure; Tillard, Monique; Belin, Claude","Ba~3~TaAs~3~O displaying the distorted tetrahedral TaAs~3~O^6-^ anion","Acta Crystallographica Section C","1999","55","12","1976","1978","10.1107/S0108270199010057","","","0.71069","MoKα","","0.118","0.049","","","","0.13","","","","","","0.952","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009240","16.482","0.005","14.258","0.005","9.838","0.004","90","","90","","90","","2311.9","1.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1-tert-butoxycarbonyl-7,9-dibenzyl-2-oxo-1,7,9-triazaspiro[4,5]dec-3-ene","","- C26 H31 N3 O3 -","- C26 H31 N3 O3 -","- C104 H124 N12 O12 -","4","0.5","DA1077","Dong, Yongkwan; Yun, Hoseop; Suh, Jang-Min; Ahn, Young-Gil; Ha, Hyun-Joon","Mirror symmetry in 7,9-dibenzyl-1-<i>tert</i>-butoxycarbonyl-1,7,9-triazaspiro[4.5]dec-3-en-2-one","Acta Crystallographica Section C","1999","55","12","2088","2090","10.1107/S0108270199011373","","","0.71073","MoKα","","0.1169","0.0575","","","","0.1163","","","","","","1.009","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009263","23.433","0.005","7.018","0.004","9.554","0.004","90","","90","","90","","1571.2","1.2","293","2","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H16 Br2 -","- C18 H16 Br2 -","- C72 H64 Br8 -","4","0.5","FR1224","Luck, Rudy L.; Mendenhall, G. David","2-<i>tert</i>-Butyl-9,10-dibromoanthracene","Acta Crystallographica Section C","1999","55","12","2090","2091","10.1107/S0108270199011968","","","0.71069","MoKα","","","0.04","","","","0.112","","","","","","1.028","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009280","8.732","0.0001","21.716","0.0003","11.246","0.0002","90","","90","","90","","2132.51","0.05","293","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Disodium bis(μ-2-oxo-2-methylpropanoate dioxovanadium(V) heptahydrate","","- C8 H26 Na2 O17 V2 -","- C8 H12 Na2 O17 V2 -","- C32 H48 Na8 O68 V8 -","4","0.5","HA1265","Bourne, Susan A.; Cruywagen, J.J.; Kleinhorst, Angela","Disodium bis[μ-2-hydroxy-2-methylpropanoato(2 ‒)]-<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^;<i>O</i>^2^:<i>O</i>^1^,<i>O</i>^2^-bis[dioxovanadate(V)] heptahydrate","Acta Crystallographica Section C","1999","55","12","2002","2004","10.1107/S010827019901094X","","","0.7107","MoKα","","0.0453","0.0358","","","","0.1211","","","","","","0.958","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2009328","12.973","0.002","6.491","0.001","8.327","0.001","90","","90","","90","","701.2","0.17","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H8 Br N -","- C6 H8 Br N -","- C24 H32 Br4 N4 -","4","0.5","QB0137","Faber, Alexander; Lemke, Alexander; Spangenberg, Björn; Bolte, Michael","Three hydrohalogenides of organic nitrogen bases","Acta Crystallographica Section C","1999","55","12","IUC9900156","","10.1107/S0108270199098261","","","0.71073","MoKα","","0.03","0.026","","","","0.058","","","","","","1.171","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009499","13.325","0.002","17.26","0.002","7.114","0.001","90","","90","","90","","1636.1","0.4","120","1","120","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ethylene-1,2-bis(η^5^-2-indenyl)titanium (IV) dichloride","","- C20 H16 Cl2 Ti -","- C20 H16 Cl2 Ti -","- C80 H64 Cl8 Ti4 -","4","0.5","ST1073","Parkin, Sean; Hitchcock, Shawn R.; Hope, Hakon; Nantz, Michael H.","2,2'-Ethylenebis(η^5^-indenyl)TiCl~2~","Acta Crystallographica Section C","1994","50","2","169","171","10.1107/S0108270193007851","","","1.54178","CuKα","","0.0436","0.0415","","0.0946","0.0939","","","","1.191","1.198","1.198","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009557","25.365","0.003","14.985","0.002","12.315","0.002","90","","90","","90","","4680.9","1.1","292","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cr3 H32 K3 O51 Si -","- Cr3 K3 O51 Si W9 -","- Cr12 K12 O204 Si4 W36 -","4","0.5","SE1029","Wassermann, K.; Lunk, H.-J.; Palm, R.; Fuchs, J.","A novel triply chromium(III)-substituted keggin anion, [<i>A</i>-α-SiO~4~W~9~Cr~3~(OH~2~)~3~O~33~]^7{‒^}","Acta Crystallographica Section C","1994","50","3","348","350","10.1107/S0108270193008601","","","0.71069","MoKα","","","0.063","","","0.063","","","","","1.019","1.019","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009621","12.463","0.003","7.7459","0.0017","7.6212","0.0016","90","","90","","90","","735.7","0.3","291","2","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H10 O2 S -","- C6 H10 O2 S -","- C24 H40 O8 S4 -","4","0.5","HL1038","Gainsford, G.J.; Woolhouse, A.D.","2-<i>n</i>-Propylthiete sulfone","Acta Crystallographica Section C","1994","50","4","606","607","10.1107/S0108270193008947","","","0.7093","MoKα~1~","","","0.035","","","0.046","","","","","1.627","1.627","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2009816","6.2773","0.0006","8.085","0.003","5.2939","0.0004","90","","90","","90","","268.68","0.1","298","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cd O3 Se -","- Cd O3 Se -","- Cd4 O12 Se4 -","4","0.5","AB1066","Valkonen, J.","Cadmium selenite–water (4/3) and two polymorphic forms of cadmium selenite","Acta Crystallographica Section C","1994","50","7","991","994","10.1107/S0108270193011278","","","0.71073","MoKα","","","2.2","","","2.9","","","","","1.52","1.52","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2009946","8.15","0.003","10.07","0.003","6.159","0.002","90","","90","","90","","505.5","0.3","293","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- B Li3 S3 -","- B Li3 S3 -","- B4 Li12 S12 -","4","0.5","DU1068","Vinatier, P.; Gravereau, P.; Ménétrier, M.; Trut, L.; Levasseur, A.","Li~3~BS~3~","Acta Crystallographica Section C","1994","50","8","1180","1183","10.1107/S0108270193013630","","","0.7107","MoKα","","","0.069","","","0.058","","","","","3.795","3.795","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009957","13.659","0.003","6.936","0.001","11.98","0.002","90","","90","","90","","1135","0.4","293","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","N-saccharinperpropanoic acid","3-oxo-1,2-benzisothiazole-2(3H)-perpropanoic acid 1,1-dioxide","","- C10 H9 N O6 S -","- C10 H5 N O6 S -","- C40 H20 N4 O24 S4 -","4","0.5","HA1093","Feeder, N.; Jones, W.","Two <i>N</i>-saccharin peracids","Acta Crystallographica Section C","1994","50","8","1347","1349","10.1107/S0108270194002040","","","0.71069","MoKα","","0.106","0.0683","","0.2373","0.2208","","","","1.097","1.343","1.343","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2010003","10.618","0.002","6.735","0.001","14.683","0.003","90","","90","","90","","1050","0.3","293","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H14 N4 Ni O4 -","- C9 H14 N4 Ni O4 -","- C36 H56 N16 Ni4 O16 -","4","0.5","VS1010","Trávníček, Z.; Marek, J.","{1,3,5,7-Tetraazabicyclo[3.3.1]nonane-3,7-bis(acetato)-<i>N</i>^3^,<i>N</i>^7^,<i>O</i>,<i>O</i>''}nickel(II)","Acta Crystallographica, Section C: Crystal Structure Communications","1994","50","8","1211","1212","10.1107/S0108270194000600","","","1.54178","CuKα","","","0.0361","","","0.0584","","","","","1.67","1.67","","","","","has coordinates","291313","2024-04-22","12:59:06",""
"2010031","7.6358","0.0012","6.5671","0.0015","13.746","0.002","90","","90","","90","","689.3","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-chloro-4-methoxy-6-methyl-1,3,5-triazine","","- C5 H6 Cl N3 O -","- C5 H6 Cl N3 O -","- C20 H24 Cl4 N12 O4 -","4","0.5","HA1106","Blake, Alexander J.; McNab, Hamish; Sloan, John P.","2-Chloro-4-methoxy-6-methyl-1,3,5-triazine","Acta Crystallographica Section C","1994","50","9","1497","1498","10.1107/S0108270194002465","","","0.71073","MoKα","","0.0554","0.038","","0.1183","0.0971","","","","1.04","1.107","1.107","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010085","26.364","0.002","15.055","0.002","10.027","0.001","90","","90","","90","","3979.8","0.7","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","tris(trimethylphenylammonium) hexaiodotricuprate(I)","","- C27 H42 Cu3 I6 N3 -","- C23.5 H42 Cu2.5 I4 N2.5 -","- C94 H168 Cu10 I16 N10 -","4","0.5","BR1076","Hu, Guozhi; Holt, Elizabeth M.","Tris(trimethylphenylammonium) hexaiodotricuprate(I)","Acta Crystallographica Section C","1994","50","10","1576","1578","10.1107/S0108270194004002","","","0.71073","MoKα","","0.0945","0.0426","","0.0578","0.0446","","","","","0.91","0.91","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010092","15.96","","17.044","","12.447","","90","","90","","90","","3385.86","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C32 H36 B N7 O3 V -","- C34 H33 B N8 O3 V -","- C136 H132 B4 N32 O12 V4 -","4","0.5","CR1133","Marsh, R.E.","On the structure of the mixed ligand complex of [VO]^2+^ with hydrotris(3,5-dimethylpyrazolyl)borato and 1,3-diphenyl-1,3-propanedionato ligands","Acta Crystallographica Section C","1994","50","10","1596","1598","10.1107/S0108270194004154","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2010108","6.778","0.001","9.411","0.001","11.89","0.002","90","","90","","90","","758.44","0.19","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","γ-resorcylic acid hydrate","2,6-Dihydroxybenzoic Acid Hydrate","","- C7 H8 O5 -","- C7 H8 O5 -","- C28 H32 O20 -","4","0.5","KA1067","Gdaniec, M.; Gilski, M.; Denisov, G.S.","γ-Resorcylic acid, its monohydrate and its pyridinium complex","Acta Crystallographica Section C","1994","50","10","1622","1626","10.1107/S0108270194000557","","","1.54178","CuKα","","0.0704","0.0652","","0.1558","0.1544","","","","1.164","1.235","1.235","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010225","10.515","0.01","13.295","0.01","9.349","0.01","90","","90","","90","","1307","2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Dipyridiniomethane-Pentafluoroosmate(IV)","Dipyridiniomethane-Pentafluoroosmate(IV)","","- C11 H12 Cl F5 N2 Os -","- C11 H12 Cl F5 N2 Os -","- C44 H48 Cl4 F20 N8 Os4 -","4","0.5","PA1129","Bruhn, Clemens; Preetz, Wilhelm","Dipyridiniomethane chloropentafluoroosmate(IV), [(C~5~H~5~N)~2~CH~2~][OsF~5~Cl]","Acta Crystallographica Section C","1994","50","11","1687","1690","10.1107/S0108270194006633","","","0.71069","MoKα","","0.0225","0.0196","","0.0508","0.0489","","","","1.173","1.178","1.178","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010244","13.554","0.002","11.766","0.002","6.148","0.0008","90","","90","","90","","980.5","0.3","180","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H20 B N -","- C9 H20 B N -","- C36 H80 B4 N4 -","4","0.5","AS1111","Tham, W.-Y.; White, J.M.","1-Azabicyclo[4.4.0]decane borine adduct","Acta Crystallographica Section C","1994","50","12","2074","2076","10.1107/S0108270194005299","","","0.71069","MoKα","","","0.036","","","0.1","","","","","1.04","1.04","","","","","has coordinates","217882","2020-10-21","18:00:00",""
"2010258","12.355","0.005","8.025","0.003","6.298","0.002","90","","90","","90","","624.4","0.4","300","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- N O3 Tl -","- N O3 Tl -","- N8 O24 Tl8 -","8","1","BR1066","Sastry, P.U.M.; Rajagopal, H.; Sequiera, A.","Thallous nitrate (III): a single-crystal neutron study","Acta Crystallographica Section C","1994","50","12","1854","1857","10.1107/S0108270194005469","","neutron","1.216","neutron","","","0.0165","","","0.039","","","","","1.473","1.473","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010302","6.411","0.001","9.564","0.002","10.637","0.002","90","","90","","90","","652.2","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","methyltin(IV)trichlorine","Methyltin(IV) Trichloride","","- C H3 Cl3 Sn -","- C H3 Cl3 Sn -","- C4 H12 Cl12 Sn4 -","4","0.5","HU1116","Frank, Walter; Reiss, Guido J.; Kuhn, Dietmar","Trichloromethyltin(IV)","Acta Crystallographica Section C","1994","50","12","1904","1906","10.1107/S010827019400795X","","","0.71073","MoKα","","0.0477","0.0446","","0.0862","0.086","","","","4.139","4.308","4.308","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010391","19.528","0.005","9.518","0.002","7.408","0.002","90","","90","","90","","1376.9","0.6","128","5","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H17 Co N2 O4 -","- C12 H21 Co N2 O4 -","- C48 H84 Co4 N8 O16 -","4","0.5","MU1106","Brammer, L.; Zhao, D.","Low-Temperature Structures of [py~2~H]^+^[Co(CO)~4~]^{-^} (py = Pyridine) and [(tmen)H]^+^[Co(CO)~4~]^{-^} (tmen = <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediamine)","Acta Crystallographica Section C","1995","51","1","45","48","10.1107/S0108270194005858","","","0.71073","MoKα","","","0.0452","","","0.0455","","","","","1.48","1.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010450","13.992","0.001","6.962","0.001","9.788","0.001","90","","90","","90","","953.47","0.18","296","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H11 F O -","- C11 H11 F O -","- C44 H44 F4 O4 -","4","0.5","CR1124","Garcia, J. G.; Enas, J. D.; VanBrocklin, H. F.; Fronczek, F. R.","5-Fluoro-1-indanone and 2,2-Dimethyl-5-fluoro-1-indanone","Acta Crystallographica Section C","1995","51","2","301","304","10.1107/S0108270194005329","","","1.54184","CuKα","","","0.044","","","0.055","","","","","2.152","2.152","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010577","8.6967","0.0017","4.2205","0.0008","10.574","0.002","90","","90","","90","","388.11","0.13","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Bismuth Selenide Iodide","Bismuth Selenide Iodide","","- Bi I Se -","- Bi I Se -","- Bi4 I4 Se4 -","4","0.5","QB0155","Braun, Thomas P.; DiSalvo, Francis J.","Bismuth selenide iodide","Acta Crystallographica Section C","2000","56","1","e1","e2","10.1107/S0108270199016017","","","0.71073","MoKα","","0.049","0.047","","","","0.123","","","","","","1.198","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010587","9.6119","0.0001","13.4954","0.0001","18.514","0.003","90","","90","","90","","2401.6","0.4","203","2","203","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","Bis(N,N'-dimethylimidazol-2-ylidene)mercury(II) Chlorotriiodomercurate(II) Dimethylsulphoxide solvate.","","- C12 H22 Cl Hg2 I3 N4 O S -","- C12 H22 Cl Hg2 I3 N4 O S -","- C48 H88 Cl4 Hg8 I12 N16 O4 S4 -","4","0.5","TA1265","Clark, Alex M.; Oliver, Allen G.; Rickard, Clifton E. F.; Wright, L. James; Roper, Warren R.","Bis(<i>N,N</i>'-dimethylimidazol-2-ylidene)mercury chlorotriiodomercury dimethyl sulfoxide solvate","Acta Crystallographica Section C","2000","56","1","26","27","10.1107/S0108270199012640","","","0.71073","MoKα","","0.0537","0.0383","","","","0.1099","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010764","7.251","0.001","28.761","0.003","9.635","0.001","90","","90","","90","","2009.3","0.4","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Bis[(bis-2-hydroxyethyl)dithiocarbamato]dimethyltin(IV)","","- C12 H26 N2 O4 S4 Sn -","- C12 H26 N2 O4 S4 Sn -","- C48 H104 N8 O16 S16 Sn4 -","4","0.5","QB0183","Yang Farina, A. Aziz; Othman, Abdul Hamid; Baba, Ibrahim; Sivakumar, K.; Fun, Hoong-Kun; Ng, Seik Weng","Bis[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)dithiocarbamato]dimethyltin(IV)","Acta Crystallographica Section C","2000","56","3","e84","e85","10.1107/S0108270100002407","","","0.71073","MoKα","","0.035","0.027","","","","0.073","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010782","18.699","0.002","14.889","0.003","7.408","0.003","90","","90","","90","","2062.5","1","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","pentachloropyridylbismuthate(III) pyridinium","","- C15 H17 Bi Cl5 N3 -","- C15 H17 Bi Cl5 N3 -","- C60 H68 Bi4 Cl20 N12 -","4","0.5","AV1032","James, Sian C.; Lawson, Yvonne G.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.","Salts of two pentahalo(<i>N</i>-donor)bismuthate(III) anions: [Bi<i>X</i>~5~<i>L</i>]^2{-^} (<i>X</i> = Cl, Br; <i>L</i> = pyridine, 4-picoline)","Acta Crystallographica Section C","2000","56","4","427","429","10.1107/S0108270100000263","","","0.71073","MoKα","","0.049","0.0298","","0.0578","","0.052","","","1.052","","","1.068","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010797","8.039","0.0005","7.694","0.0016","14.13","0.002","90","","90","","90","","874","0.2","208","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","β-Pyridinium dichloroiodide","","- C5 H6 Cl2 I N -","- C4.99998 H6 Cl2 I N0.99996 -","- C19.9999 H24 Cl8 I4 N3.99984 -","4","0.5","BR1276","Schulz Lang, Ernesto; Burrow, Robert A.; Diniz, Juraci","β-Pyridinium dichloroiodide","Acta Crystallographica Section C","2000","56","4","471","472","10.1107/S0108270100000317","","","0.71073","MoKα","","0.1069","0.0569","","","","0.141","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","211393","2020-10-21","18:00:00",""
"2010821","16.566","0.006","6.813","0.002","8.926","0.003","90","","90","","90","","1007.4","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","SSN(sss)","3-Methyl-4,6-bismethylthio-1,3,5-triazine-2(3H)-thione","","- C6 H9 N3 S3 -","- C6 H9 N3 S3 -","- C24 H36 N12 S12 -","4","0.5","JZ1377","Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem","2,4,6-Tris(methylthio)-1,3,5-triazine, 3-methyl-4,6-bis(methylthio)-1,3,5-triazine-2(3<i>H</i>)-thione, 1,3-dimethyl-4-methylthio-1,3,5-triazine-2,6(1<i>H</i>,3<i>H</i>)-dithione and 1,3,5-trimethyl-1,3,5-triazine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trithione","Acta Crystallographica Section C","2000","56","4","465","468","10.1107/S0108270100000214","","","0.7107","MoKα","","0.0726","0.0489","","","","0.117","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010900","13.2543","0.0009","25.7694","0.0018","3.8521","0.0002","90","","90","","90","","1315.71","0.15","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","1,2,7,8 dibenzofluorenone","13H-dibenzo[a,i]fluoren-13-one","","- C21 H12 O -","- C21 H12 O -","- C84 H48 O4 -","4","0.5","DA1115","Morris, David G.; Higgins, Sean; Ryder, Karl S.; Howie, R. Alan; Muir, Kenneth W.","13<i>H</i>-Dibenzo[<i>a</i>,<i>i</i>]fluoren-13-one","Acta Crystallographica Section C","2000","56","5","570","571","10.1107/S0108270100001049","","","0.71073","MoKα","","0.116","0.054","","","","0.167","","","","","","1.004","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010908","11.327","0.001","7.054","0.001","12.381","0.001","90","","90","","90","","989.25","0.18","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","selenitotetrammine cobaltate(III) nitrate, monohydrate","","- Co H14 N5 O7 Se -","- Co H14 N5 O7 Se -","- Co4 H56 N20 O28 Se4 -","4","0.5","FR1235","Emara, A. A. A.; Krause Bauer, Jeanette A.; Galal, A.","Tetraammine(selenito-<i>O</i>,<i>O</i>')cobaltate(III) nitrate monohydrate","Acta Crystallographica Section C","2000","56","5","515","517","10.1107/S010827010000127X","","","0.71073","MoKα","","0.0369","0.0295","","","","0.0645","","","","","","1.121","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010986","16.05","0.003","3.9375","0.0008","7.0309","0.0014","90","","90","","90","","444.33","0.15","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd2 O Se2 -","- Gd2 O Se2 -","- Gd8 O4 Se8 -","4","0.5","BR1282","Tougait, Olivier; Ibers, James A.","Gd~2~OSe~2~","Acta Crystallographica Section C","2000","56","6","623","624","10.1107/S0108270100003024","","","0.71073","MoKα","","0.0256","0.0235","","","","0.0588","","","","","","1.101","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011097","7.766","0.002","11.67","0.002","14.385","0.002","90","","90","","90","","1303.7","0.4","153","","153","","","","","","","","","4","P n m a","-P 2ac 2n","62","tetraethylammonium hydroxide tetrahydrate","tetraethylammonium hydroxide-water (1/4)","","- C8 H29 N O5 -","- C8 H29 N O5 -","- C32 H116 N4 O20 -","4","0.5","DE1137","Wiebcke, Michael; Felsche, Jürgen","NEt~4~OH·4H~2~O containing infinite hydroxide‒water ribbons","Acta Crystallographica Section C","2000","56","7","901","902","10.1107/S0108270100005886","","","0.71073","MoKα","","0.1324","0.0473","","","","0.1407","","","","","","0.93","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011184","10.867","0.003","24.284","0.004","5.427","0.002","90","","90","","90","","1432.2","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,6-diphenyl-thiopyran-4-one","","- C17 H16 O S -","- C17 H16 O S -","- C68 H64 O4 S4 -","4","0.5","VJ1103","T. Narasimhamurthy; R.V. Krishnakumar; J.C.N.Benny; K.Pandiarajan; M.A.Viswamitra","2,6-Diphenylthiapyran-4-one","Acta Crystallographica Section C","2000","56","7","870","871","10.1107/S0108270100004765","","","1.5418","CuKα","","0.0473","0.0429","","","","0.1225","","","","","","1.167","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011209","7.451","0.003","19.709","0.006","18.587","0.008","90","","90","","90","","2729.5","1.8","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3,6,9,16,19,22-hexaazatricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26,27, 29-hexaene pentahydrate","","- C24 H48 N6 O5 -","- C24 H48 N6 O5 -","- C96 H192 N24 O20 -","4","0.5","GD1091","He, Wei-jiang; Ye, Zi-feng; Xu, Yan; Guo, Zi-jian; Zhu, Long-Gen","3,6,9,16,19,22-Hexaazatricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26(1),27,29-hexaene pentahydrate","Acta Crystallographica Section C","2000","56","8","1019","1020","10.1107/S0108270100007095","","","0.71073","MoKα","","0.0879","0.0638","","","","0.1966","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","203508","2020-10-21","18:00:00",""
"2011288","7.7198","0.0001","20.4639","0.0003","15.9112","0.0002","90","","90","","90","","2513.61","0.06","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Trans-dichloro (1, 5, 9, 13-tetramethyl-1, 5, 9, 13-tetrazacyclohexadecane) Ruthenium(III)triiodide","","- C16 H36 Cl2 I3 N4 Ru -","- C16 H36 Cl2 I3 N4 Ru -","- C64 H144 Cl8 I12 N16 Ru4 -","4","0.5","SK1397","Zeng, Xi-Rui; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Zuo, Jing-Lin; You, Xiao-Zeng","<i>trans</i>-Dichloro(1,5,9,13-tetramethyl-1,5,9,13-tetrazacyclohexadecane-κ^4^<i>N</i>)ruthenium(III) triiodide","Acta Crystallographica Section C","2000","56","8","941","942","10.1107/S0108270100007460","","","0.71073","MoKα","","0.0525","0.0392","","","","0.0867","","","","","","1.159","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011375","9.778","0.002","10.879","0.002","5.706","0.002","90","","90","","90","","607","0.3","296.2","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H8 N2 O2 -","- C4 H8 N2 O2 -","- C16 H32 N8 O8 -","4","0.5","QD0020","Sakamoto, Jun; Nakagawa, Takashi; Kanehisa, Nobuko; Kai, Yasushi; Katsura, Masahiro","Methylmalonamide and ethylmalonamide","Acta Crystallographica Section C","2000","56","9","e411","e412","10.1107/S0108270100010866","","","0.7107","MoKα","","","0.0404","","","","0.1146","","","","","","1.152","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011408","7.4077","0.0011","22.064","0.003","11.585","0.002","90","","90","","90","","1893.5","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Ni(t-salpd)","","","- C19 H24 N2 Ni O6 -","- C19 H24 N2 Ni O6 -","- C76 H96 N8 Ni4 O24 -","4","0.5","DA1141","Gomes, Ligia; Sousa, Carla; Freire, Cristina; de Castro, Baltazar","Diaqua{6,6'-dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne-<i>N</i>)]diphenolato-<i>O</i>,<i>O</i>'}nickel(II)","Acta Crystallographica Section C","2000","56","10","1201","1203","10.1107/S010827010001009X","","","0.71073","MoKα","","0.049","0.037","","0.105","","0.093","","","1.05","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011531","8.2186","0.0005","25.4368","0.0016","15.6604","0.001","90","","90","","90","","3273.9","0.4","93","2","93","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Bert*Cl","","","- C36 H49 Cl -","- C36 H49 Cl -","- C144 H196 Cl4 -","4","0.5","QA0383","Twamley, Brendan; Ned J. Hardman; Philip P. Power","A terphenyl halide series: 2,6-Trip~2~H~3~C~6~<i>X</i> (Trip = 2,4,6-triisopropylphenyl; <i>X</i> = Cl, Br, I)","Acta Crystallographica Section C","2000","56","11","e514","e515","10.1107/S0108270100013020","","","0.71073","MoKα","","0.093","0.047","","","","0.128","","","","","","0.912","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011532","8.2823","0.0014","25.831","0.004","15.856","0.003","90","","90","","90","","3392.2","1","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Bert*Br","","","- C36 H49 Br -","- C36 H49 Br -","- C144 H196 Br4 -","4","0.5","QA0383","Twamley, Brendan; Ned J. Hardman; Philip P. Power","A terphenyl halide series: 2,6-Trip~2~H~3~C~6~<i>X</i> (Trip = 2,4,6-triisopropylphenyl; <i>X</i> = Cl, Br, I)","Acta Crystallographica Section C","2000","56","11","e514","e515","10.1107/S0108270100013020","","","0.71073","MoKα","","0.059","0.044","","","","0.114","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011533","8.11","0.0013","25.549","0.006","15.978","0.006","90","","90","","90","","3310.7","1.6","130","2","130","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Bert*I","","","- C36 H49 I -","- C36 H49 I -","- C144 H196 I4 -","4","0.5","QA0383","Twamley, Brendan; Ned J. Hardman; Philip P. Power","A terphenyl halide series: 2,6-Trip~2~H~3~C~6~<i>X</i> (Trip = 2,4,6-triisopropylphenyl; <i>X</i> = Cl, Br, I)","Acta Crystallographica Section C","2000","56","11","e514","e515","10.1107/S0108270100013020","","","0.71073","MoKα","","0.074","0.059","","","","0.186","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011757","7.492","0.003","28.929","0.007","10.334","0.005","90","","90","","90","","2239.8","1.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","μ-[1,3-bis(5-chlorosalicylideneamino)propanol]-O,N,O':O',N',O''-μ-(3,5- dimethylpyrazolato)-N:N'-dinickel(II)","","- C22 H20 Cl2 N4 Ni2 O3 -","- C22 H20 Cl2 N4 Ni2 O3 -","- C88 H80 Cl8 N16 Ni8 O12 -","4","0.5","FR1306","Elerman, Yalc̨ın; Kara, Hülya; Prout, Keith; Chipindale, Ann","A dinuclear pyrazolato-<i>N</i>:<i>N</i>'-bridged dinickel(II) complex of 1,3-bis(5-chlorosalicylideneamino)propan-2-ol","Acta Crystallographica Section C","2001","57","2","149","150","10.1107/S0108270100015808","","","1.5418","CuKα","","0.154","0.043","","","","0.155","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011765","29.207","0.002","6.586","0.0004","7.4782","0.0004","90","","90","","90","","1438.49","0.15","150","1","150","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","4-(1-Adamantylamino)-2-amino-6-methoxy-5-nitrosopyrimidine","","- C15 H21 N5 O2 -","- C15 H21 N5 O2 -","- C60 H84 N20 O8 -","4","0.5","GG1029","Low, John Nicolson; Marchal, Antonio; Nogueras, Manuel; Melguizo, Manuel; Sánchez, Adolfo","4-(1-Adamantylamino)-2-amino-6-methoxy-5-nitrosopyrimidine","Acta Crystallographica Section C","2001","57","2","178","179","10.1107/S0108270100015754","","","0.71073","MoKα","","0.146","0.06","","","","0.181","","","","","","0.91","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011816","7.3003","0.0004","6.8114","0.0004","15.6135","0.0011","90","","90","","90","","776.39","0.08","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H4 Cu N2 O4 -","- C8 H4 Cu N2 O4 -","- C32 H16 Cu4 N8 O16 -","4","0.5","LN1113","Näther, Christian; Jeß, Inke","Poly[copper(II)-μ-pyrazine-μ~3~-squarato]","Acta Crystallographica Section C","2001","57","3","260","261","10.1107/S0108270100018722","","","0.71073","MoKα","","0.0397","0.0356","","","","0.099","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011883","10.4889","0.0008","8.1503","0.0009","7.244","0.0012","90","","90","","90","","619.27","0.13","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","barium oxo-aluminate hydride","","- Al Ba3 H O4 -","- Al Ba3 H O4 -","- Al4 Ba12 H4 O16 -","4","0.5","IZ1007","Zumdick, Markus; Althoff, Gerhard; Röhr, Caroline","Barium oxoaluminate hydride","Acta Crystallographica Section C","2001","57","4","339","340","10.1107/S0108270100020229","","","0.7107","MoKα","","0.0251","0.0225","","","","0.0543","","","","","","1.129","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011895","12.826","0.002","7.392","0.001","11.447","0.002","90","","90","","90","","1085.3","0.3","200","2","200","","","","","","","","","6","P n m a","-P 2ac 2n","62","","diiodo-3,4,5,6-tetrahydropyrimidinium-2-thiolato mercury(II)","","- C4 H8 Hg I2 N2 S -","- C4 H8 Hg I2 N2 S -","- C16 H32 Hg4 I8 N8 S4 -","4","0.5","NA1502","Matković-Čalogović, Dubravka; Popović, Zora; Pavlović, Gordana; Soldin, Željka; Giester, Gerald","Diiodo(3,4,5,6-tetrahydropyrimidinium-2-thiolato-<i>S</i>)mercury(II)","Acta Crystallographica Section C","2001","57","4","409","411","10.1107/S0108270101001822","","","0.71073","MoKα","","0.0293","0.0247","","","","0.0565","","","","","","1.116","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012416","12.736","0.0002","5.379","0.0004","8.166","0.0006","90","0.005","90","0.004","90","0.004","559.43","0.06","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","vanadium aluminium molybdate","","- Al Mo O7 V -","- Al Mo O7 V -","- Al4 Mo4 O28 V4 -","4","0.5","BR1347","Galy, Jean; Enjalbert, Renée; Rozier, Patrick; Millet, Patrice","The mixed oxide MoVAlO~7~","Acta Crystallographica Section C","2002","58","1","i6","i8","10.1107/S010827010101767X","","","0.71073","MoKα","","0.0486","0.0348","","0.0865","","0.0825","","","","1.106","1.106","1.052","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012446","12.6014","0.0014","3.7706","0.0004","6.274","0.0007","90","","90","","90","","298.11","0.06","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cl H2 O2 Sm -","- Cl H2 O2 Sm -","- Cl4 H8 O8 Sm4 -","4","0.5","OS1144","Jouve, Cyril; Marrot, Jerome; Riou, Didier","β-Sm(OH)~2~Cl: a new lamellar variety","Acta Crystallographica Section C","2002","58","1","i14","i15","10.1107/S0108270101016882","","","0.71073","MoKα","","0.0356","0.0254","","","0.0554","0.06","","","","","","1.118","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012526","9.0274","0.0004","6.5933","0.0004","13.117","0.0008","90","","90","","90","","780.73","0.08","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-Trifluoromethyl-4-nitroaniline","","- C7 H5 F3 N2 O2 -","- C7 H5 F3 N2 O2 -","- C28 H20 F12 N8 O8 -","4","0.5","SK1528","Glidewell, Christopher; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in C-substituted nitroanilines: molecular ladders in 2-trifluoromethyl-4-nitroaniline and sheets of <i>R</i>f̱{_4^4}(12) and <i>R</i>f̱{_4^4}(32) rings in 3-trifluoromethyl-4-nitroaniline","Acta Crystallographica Section C","2002","58","2","o97","o99","10.1107/S0108270101021254","","","0.71073","MoKα","","0.061","0.041","","","0.105","0.118","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012585","8.9304","0.0004","21.3533","0.0012","7.5895","0.0003","90","","90","","90","","1447.27","0.12","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","poly[(μ~2~-thiocyanato-N,S)-bis(nicotinamide-N)copper(I)","catena-Poly[[bis(nicotinamide-κN^1^)copper(I)]-μ-thiocyanato-κ^2^N:S]","","- C13 H12 Cu N5 O2 S -","- C13 H12 Cu N5 O2 S -","- C52 H48 Cu4 N20 O8 S4 -","4","0.5","LN1135","Jeß, Inke","<i>catena</i>-Poly[[bis(nicotinamide-κ<i>N</i>^1^)copper(I)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]","Acta Crystallographica Section C","2002","58","3","m190","m192","10.1107/S0108270102001592","","","0.71073","MoKα","","0.042","0.03","","","0.073","0.078","","","","","","1.104","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012607","7.3677","0.0003","14.7904","0.0019","25.379","0.003","90","0.009","90","0.009","90","0.009","2765.6","0.5","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O14 Rb3 Ta5 -","- O14 Rb3 Ta5 -","- O112 Rb24 Ta40 -","8","1","TA1346","du Boulay, Douglas; Yamashita, Reiko; Ishizawa, Nobuo","Synchrotron X-ray study of orthorhombic Rb~3~Ta~5~O~14~ with a modified pyrochlore structure","Acta Crystallographica Section C","2002","58","3","i40","i44","10.1107/S010827010101890X","","","0.8499","synchrotron","","0.044","0.043","","0.047","","0.047","","","3.244","","","3.275","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012741","15.4727","0.0012","7.782","0.0009","6.5009","0.0007","90","","90","","90","","782.76","0.14","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","potassium zinc hydrogen pyrophosphate dihydrate","","- H5 K O9 P2 Zn -","- H5 K O9 P2 Zn -","- H20 K4 O36 P8 Zn4 -","4","0.5","BR1366","Assaaoudi, Hassane; Ennaciri, Abdelaziz; Harcharras, Mohamed; El Bali, Brahim; Reinauer, Felix; Glaum, Robert; Rulmont, André; Spirlet, Marie-Rose","KZn(HP~2~O~7~)·2H~2~O and KMn(HP~2~O~7~)·2H~2~O: acid pyrophosphate metallates(II) with layer structures","Acta Crystallographica Section C","2002","58","6","i79","i81","10.1107/S0108270102007394","","","0.71073","MoKα","","0.0278","0.0252","","","0.0645","0.0661","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012742","15.7186","0.0005","7.8706","0.0005","6.5297","0.0005","90","","90","","90","","807.82","0.08","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","potassium manganese(II) hydrogenpyrophosphate dihydrate","","- H5 K Mn O9 P2 -","- H5 K Mn O9 P2 -","- H20 K4 Mn4 O36 P8 -","4","0.5","BR1366","Assaaoudi, Hassane; Ennaciri, Abdelaziz; Harcharras, Mohamed; El Bali, Brahim; Reinauer, Felix; Glaum, Robert; Rulmont, André; Spirlet, Marie-Rose","KZn(HP~2~O~7~)·2H~2~O and KMn(HP~2~O~7~)·2H~2~O: acid pyrophosphate metallates(II) with layer structures","Acta Crystallographica Section C","2002","58","6","i79","i81","10.1107/S0108270102007394","","","0.71073","MoKα","","0.0316","0.0241","","","0.0586","0.0613","","","","","","1.061","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012809","15.721","0.0019","6.8582","0.0008","8.2338","0.001","90","","90","","90","","887.75","0.18","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","2,4,6-Trimethylphenyl isocyanide","","- C10 H11 N -","- C10 H11 N -","- C40 H44 N4 -","4","0.5","GD1206","Fernandes, Manuel A.; Layh, Marcus; Omondi, Bernard","2,4,6-Trimethylphenyl isocyanide","Acta Crystallographica Section C","2002","58","7","o384","o385","10.1107/S0108270102008491","","","0.71073","MoKα","","0.121","0.046","","","0.095","0.115","","","","","","0.913","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012817","15.698","0.003","15.337","0.003","19.957","0.004","90","","90","","90","","4804.9","1.6","120","","120","","","","","","","","","7","P n m a","-P 2ac 2n","62","","[Bis(2-diphenylphosphinoethyl) sulfide-κ^3^P,S,P'](triphenylphosphine- κP)platinum(II) diperchlorate acetone solvate","","- C49 H49 Cl2 O9 P3 Pt S -","- C49 H49 Cl2 O9 P3 Pt S -","- C196 H196 Cl8 O36 P12 Pt4 S4 -","4","0.5","GG1116","Andreasen, Lars V.; Hazell, Alan; Wernberg, Ole","[Bis(2-diphenylphosphinoethyl) sulfide-κ^3^<i>P</i>,<i>S</i>,<i>P</i>'](triphenylphosphine-κ<i>P</i>)platinum(II) diperchlorate acetone solvate","Acta Crystallographica Section C","2002","58","7","m385","m387","10.1107/S0108270102009186","","","0.71073","MoKα","","","0.032","","","","0.036","","","","","","0.992","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012835","11.7912","0.0012","8.4725","0.0007","14.768","0.004","90","","90","","90","","1475.3","0.4","293","2","294","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis(trimethylphosphine)silver(I) hexafluorophosphate","","- C6 H18 Ag F6 P3 -","- C6 H18 Ag F6 P3 -","- C24 H72 Ag4 F24 P12 -","4","0.5","SK1552","Alyea, Elmer C.; Kannan, Shanmugaperumal; Meehan, Paul R.","Bis(trimethylphosphine)silver(I) hexafluorophosphate","Acta Crystallographica Section C","2002","58","7","m365","m367","10.1107/S0108270102007734","","","0.71073","MoKα","","0.047","0.032","","","0.091","0.095","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012908","8.0608","0.0009","12.4501","0.0014","11.679","0.0013","90","","90","","90","","1172.1","0.2","292","2","292","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2,6-Diiodo-4-nitrophenyl acetate","","- C8 H5 I2 N O4 -","- C8 H5 I2 N O4 -","- C32 H20 I8 N4 O16 -","4","0.5","TR1033","Garden, Simon J.; da Cunha, Fernanda R.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","2,6-Diiodo-4-nitrophenol, 2,6-diiodo-4-nitrophenyl acetate and 2,6-diiodo-4-nitroanisole: interplay of hydrogen bonds, iodo‒nitro interactions and aromatic π‒π-stacking interactions to give supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2002","58","8","o463","o466","10.1107/S0108270102010776","","","0.71073","MoKα","","0.057","0.041","","","0.103","0.112","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012921","12.1856","0.0005","4.3869","0.0002","11.8687","0.0005","90","","90","","90","","634.47","0.05","153","2","153","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","Dineodymium tritelluride","","- Nd2 Te3 -","- Nd2 Te3 -","- Nd8 Te12 -","4","0.5","BR1384","Ijjaali, Ismail; Ibers, James A.","Dineodymium tritelluride, Nd~2~Te~3~","Acta Crystallographica Section C","2002","58","9","i124","i125","10.1107/S0108270102012635","","","0.71073","MoKα","","0.02","0.02","","","0.046","0.046","","","","","","1.407","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013182","8.1442","0.0017","6.5456","0.0011","12.285","0.002","90","","90","","90","","654.9","0.2","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-Amino-4-methoxy-6-methylpyrimidine","","- C6 H9 N3 O -","- C6 H9 N3 O -","- C24 H36 N12 O4 -","4","0.5","NA1584","Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","Hydrogen bonding in 2-amino-4-methoxy-6-methylpyrimidine, 2-benzylamino-4-benzyloxy-6-methylpyrimidine and 4-benzylamino-2,6-bis(benzyloxy)pyrimidine: π-stacked chains of fused <i>R</i>~2~^2^(8) rings, and centrosymmetric <i>R</i>~2~^2^(8) dimers","Acta Crystallographica Section C","2003","59","1","o9","o13","10.1107/S0108270102020206","","","0.71073","MoKα","","0.0931","0.0497","","","0.1149","0.1357","","","","","","0.983","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013238","15.4724","0.0015","7.7881","0.0008","6.4942","0.0006","90","","90","","90","","782.55","0.13","250","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Co H5 K O9 P2 -","- Co H5 K O9 P2 -","- Co4 H20 K4 O36 P8 -","4","0.5","AV1135","Harcharras, Mohamed; Goubitz, Kees; Ennaciri, Abdelaziz; Assaaoudi, Hassane; Schenk, Henk","KHCoP~2~O~7~·2H~2~O: a novel acidic pyrophosphate","Acta Crystallographica Section C","2003","59","6","i57","i58","10.1107/S0108270103010084","","","0.71073","MoKα","","0.034","0.034","","0.039","","0.039","","","1.378","","","1.374","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013346","7.563","0.003","29.885","0.003","8.2254","0.0009","90","","90","","90","","1859.1","0.8","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","catena-poly[tetraaquabis(thiosalicylate)barium(II)]","","- C14 H18 Ba O8 S2 -","- C14 H18 Ba O8 S2 -","- C56 H72 Ba4 O32 S8 -","4","0.5","OB1109","Lee, Bo-Hyung; Kim, Chong-Hyeak; Lee, Sueg-Geun","A one-dimensional coordination polymer with metal‒metal interactions: <i>catena</i>-poly[[triaquabarium(II)]-μ-aqua-κ^2^<i>O</i>:<i>O</i>-di-μ-thiosalicylato-κ^4^<i>O</i>:<i>O</i>]","Acta Crystallographica Section C","2003","59","5","m196","m198","10.1107/S010827010300667X","","","0.71073","MoKα","","0.0418","0.0369","","","0.1042","0.1125","","","","","","1.129","","","","has coordinates,has Fobs","189185","2020-10-21","18:00:00",""
"2013430","10.48","0.002","13.783","0.002","9.758","0.002","90","","90","","90","","1409.5","0.4","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Sn -","- C6 H9 Cl4 N3 Sn -","- C24 H36 Cl16 N12 Sn4 -","4","0.5","FG1697","Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H.","<i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and <i>cis</i>-tetrachlorobis(<i>o</i>-toluonitrile)tin(IV), all determined at <i>ca</i> 150K","Acta Crystallographica Section C","2003","59","9","m361","m365","10.1107/S0108270103012642","","","0.71073","MoKα","","0.021","0.019","","0.023","","0.022","","","1.183","","","1.161","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013451","9.1517","0.0009","5.7886","0.0006","7.4034","0.0008","90","","90","","90","","392.2","0.07","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","hydronium perchlorate","","- Cl H3 O5 -","- Cl O5 -","- Cl4 O20 -","4","0.5","GD1256","Azhar A. Rahman; Anwar Usman; Suchada Chantrapromma; Hoong-Kun Fun","Redetermination of hydronium perchlorate at 193 and 293K","Acta Crystallographica Section C","2003","59","9","i92","i94","10.1107/S0108270103010461","","","0.71073","MoKα","","0.0479","0.0448","","","0.1148","0.1169","","","","","","1.114","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013452","9.2343","0.0015","5.8178","0.0009","7.4606","0.0012","90","","90","","90","","400.81","0.11","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","hydronium perchlorate","","- Cl H3 O5 -","- Cl O5 -","- Cl4 O20 -","4","0.5","GD1256","Azhar A. Rahman; Anwar Usman; Suchada Chantrapromma; Hoong-Kun Fun","Redetermination of hydronium perchlorate at 193 and 293K","Acta Crystallographica Section C","2003","59","9","i92","i94","10.1107/S0108270103010461","","","0.71073","MoKα","","0.0518","0.0467","","","0.1261","0.13","","","","","","1.161","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013562","22.826","0.007","6.971","0.002","16.593","0.005","90","","90","","90","","2640.3","1.4","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","Chlorobis[N'-ethoxycarbonyl-N-(4-methylphenyl)thiourea-κS]copper(I)","","- C22 H28 Cl Cu N4 O4 S2 -","- C22 H28 Cl Cu N4 O4 S2 -","- C88 H112 Cl4 Cu4 N16 O16 S8 -","4","0.5","DE1224","Zhang, You-Ming; Xian, Liang; Wei, Tai-Bao","Chlorobis[<i>N</i>'-ethoxycarbonyl-<i>N</i>-(4-methylphenyl)thiourea-κ<i>S</i>]copper(I)","Acta Crystallographica Section C","2003","59","11","m473","m474","10.1107/S0108270103022285","","","0.71073","MoKα","","0.116","0.059","","","0.131","0.161","","","","","","1.148","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013696","5.9404","0.0001","8.2158","0.0001","5.7229","0.0001","90","","90","","90","","279.307","0.008","295","","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lanthanum Indium Oxide","","- In La O3 -","- In La O3 -","- In4 La4 O12 -","4","0.5","SQ1033","Park, Hyun Min; Lee, Hwack Joo; Park, Sang Hyun; Yoo, Han Ill","Lanthanum indium oxide from X-ray powder diffraction","Acta Crystallographica Section C","2003","59","12","i131","i132","10.1107/S0108270103024806","","","1.5418","CuKα","","0.0304","","","","","","","","0.81","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2013914","13.7558","0.0002","9.7484","0.0001","7.1074","0.0001","90","","90","","90","","953.08","0.02","168","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium aquapentachlorochromate(III)","","- Cl5 Cr H2 O Rb2 -","- Cl5 Cr H2 O Rb2 -","- Cl20 Cr4 H8 O4 Rb8 -","4","0.5","BC1030","Annika K. Eriksson; Barbara M. Casari; Langer, Vratislav","Dirubidium aquapentachlorochromate(III) and dicaesium aquapentachlorochromate(III)","Acta Crystallographica Section C","2004","60","4","i40","i42","10.1107/S0108270104002987","","","0.71073","MoKα","","0.055","0.0377","","","0.0971","0.1096","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013921","7.9835","0.0009","6.3678","0.0007","7.5755","0.0011","90","","90","","90","","385.12","0.08","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Rubidium hypophosphite","Rubidium hypophosphite","","- H2 O2 P Rb -","- H2 O2 P Rb -","- H8 O8 P4 Rb4 -","4","0.5","BC1035","Naumova, Marina I.; Kuratieva, Natalia V.; Podberezskaya, Nina V.; Naumov, Dmitry Yu.","The alkali hypophosphites KH~2~PO~2~, RbH~2~PO~2~ and CsH~2~PO~2~","Acta Crystallographica Section C","2004","60","5","i53","i55","10.1107/S0108270104002409","","","0.71073","MoKα","","0.0404","0.0232","","","0.0522","0.0567","","","","","","0.962","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013922","8.3776","0.0009","6.6271","0.0006","7.9165","0.001","90","","90","","90","","439.52","0.08","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Caesium hypophosphite","Caesium hypophosphite","","- Cs H2 O2 P -","- Cs H2 O2 P -","- Cs4 H8 O8 P4 -","4","0.5","BC1035","Naumova, Marina I.; Kuratieva, Natalia V.; Podberezskaya, Nina V.; Naumov, Dmitry Yu.","The alkali hypophosphites KH~2~PO~2~, RbH~2~PO~2~ and CsH~2~PO~2~","Acta Crystallographica Section C","2004","60","5","i53","i55","10.1107/S0108270104002409","","","0.71073","MoKα","","0.0504","0.0367","","","0.1018","0.1143","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014023","17.08","0.003","14.691","0.0018","5.5356","0.0007","90","","90","","90","","1389","0.3","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","Magnesium Sodium Pyrovanadate","","","- Mg2 Na6 O15 V4 -","- Mg2 Na6 O15 V4 -","- Mg8 Na24 O60 V16 -","4","0.5","IZ1039","Mitiaev, Alexander, S; Mironov, Andrei, V.; Shpanchenko, Roman, V.; Antipov, Evgeny, V.","Sodium magnesium bis(vanadate) pyrovanadate: Na~6~Mg~2~(VO~4~)~2~(V~2~O~7~)","Acta Crystallographica Section C","2004","60","5","i56","i58","10.1107/S0108270104005384","","","0.71069","MoKα","","0.0372","0.0372","","","0.0498","0.0498","","","","","","1.71","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014309","8.496","0.004","13.274","0.006","6.292","0.004","90","","90","","90","","709.6","0.6","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","rubidium tetraberyllium tris(borate)","rubidium tetraberyllium tris(borate)","","- B3 Be4 O9 Rb -","- B3 Be4 O9 Rb -","- B12 Be16 O36 Rb4 -","4","0.5","BC1092","Xiao-Hong Wen; R.-K. Li; C.-T. Chen","A new rubidium beryllium borate, RbBe~4~(BO~3~)~3~","Acta Crystallographica Section C","2006","62","3","i21","i23","10.1107/S0108270106003131","","","0.71073","MoKα","","0.0484","0.0436","","","0.1078","0.1122","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014405","17.859","0.002","17.994","0.002","8.692","0.001","90","","90","","90","","2793.2","0.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Tetraethylammonium bis(N,N-diethyldithiocarbamato-κ^2^S,S')iodocadmate(II)","","- C18 H40 Cd I N3 S4 -","- C18 H40 Cd I N3 S4 -","- C72 H160 Cd4 I4 N12 S16 -","4","0.5","SK3001","Kropidłowska, Anna; Chojnacki, Jarosław; Becker, Barbara","Tetraethylammonium bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')iodocadmate(II)","Acta Crystallographica Section C","2006","62","3","m95","m97","10.1107/S010827010600206X","","","0.71073","MoKα","","0.0564","0.0542","","","0.1162","0.1175","","","","","","1.063","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014424","8.4069","0.0009","11.71","0.001","8.1075","0.0009","90","","90","","90","","798.14","0.14","300","2","300","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Poly[methylammonium [tris(μ~2~-formato-κ^2^O:O')cobalt(II)]]","","- C4 H9 Co N O6 -","- C4 H9 Co N O6 -","- C16 H36 Co4 N4 O24 -","4","0.5","AV1205","Boča, Miroslav; Ingrid Svoboda; Franz Renz; Hartmut Fuess","Poly[methylammonium tris(μ~2~-formato-κ^2^<i>O</i>:<i>O</i>')cobalt(II)]","Acta Crystallographica Section C","2004","60","12","m631","m633","10.1107/S0108270104025776","","","0.71073","MoKα","","0.0869","0.0494","","","0.1336","0.1595","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014508","7.818","0.001","5.931","0.001","10.634","0.002","90","","90","","90","","493.08","0.14","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","dithallium sulfate","","- O4 S Tl2 -","- O4 S Tl2 -","- O16 S4 Tl8 -","4","0.5","IZ1045","Wallez, Gilles; Jaulmes, Sylvie; Elfakir, Ammy; Souron, Jean-Paul; Quarton, Michel","β-Tl~2~SO~4~","Acta Crystallographica Section C","2004","60","11","i107","i109","10.1107/S0108270104022346","","","0.71069","MoKα","","0.0261","0.0251","","0.0653","","0.0644","","","1.039","","","1.056","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014522","8.711","0.011","10.05","0.013","10.224","0.013","90","","90","","90","","895","2","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","catena-Poly[[silver(I)-μ-ethane-1,2-diamine-κ^2^N:N'] trifluoromethanesulfonate]","","- C3 H8 Ag F3 N2 O3 S -","- C3 H8 Ag F3 N2 O3 S -","- C12 H32 Ag4 F12 N8 O12 S4 -","4","0.5","OB1200","You, Zhong-Lu; Zhu, Hai-Liang","<i>catena</i>-Poly[[silver(I)-μ-ethane-1,2-diamine-κ^2^<i>N</i>:<i>N</i>'] trifluoromethanesulfonate]","Acta Crystallographica Section C","2004","60","10","m515","m516","10.1107/S0108270104020839","","","0.71073","MoKα","","0.036","0.0334","","","0.0749","0.0764","","","","","","1.185","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014561","5.3049","0.0007","7.4485","0.0009","5.2537","0.0006","90","","90","","90","","207.59","0.04","295","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Al Gd O3 -","- Al Gd O3 -","- Al4 Gd4 O12 -","4","0.5","SQ1172","Douglas du Boulay; Nobuo Ishizawa; Edward N. Maslen; Deceased 2 February 1997","GdAlO~3~ perovskite","Acta Crystallographica Section C","2004","60","12","i120","i122","10.1107/S0108270104025144","","","0.7","synchrotron","","0.0117","0.0117","","0.0085","","0.0085","","","2.0623","","","2.0623","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014950","8.6803","0.0006","21.946","0.001","8.1845","0.0009","90","","90","","90","","1559.1","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,3-Dibenzoyl-3,4,5,6-tetrahydropyrimidine-2(1H)-thione","","- C18 H16 N2 O2 S -","- C18 H16 N2 O2 S -","- C72 H64 N8 O8 S4 -","4","0.5","TR1118","Kazak, Canan; Yilmaz, Veysel T.; Servi, Suleyman; Koca, Murat; Heinemann, Frank W.","1,3-Dibenzoylimidazolidine-2-thione and 1,3-dibenzoyl-3,4,5,6-tetrahydropyrimidine-2(1<i>H</i>)-thione","Acta Crystallographica Section C","2005","61","6","o348","o350","10.1107/S0108270105009844","","","0.71073","MoKα","","0.0504","0.0382","","","0.0896","0.0951","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014962","6.7703","0.001","16.0954","0.0011","10.3136","0.0005","90","","90","","90","","1123.88","0.19","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","sodium tetracalcium orthovanadate","sodium tetracalcium trivanadiun dodecaoxide","","- Ca4 Na O12 V3 -","- Ca4 Na O12 V3 -","- Ca16 Na4 O48 V12 -","4","0.5","BC1070","Hamdi Ben Yahia; Etienne Gaudin; Jacques Darriet","Sodium calcium orthovanadate, NaCa~4~(VO~4~)~3~","Acta Crystallographica Section C","2005","61","7","i79","i80","10.1107/S0108270105018214","","","0.71069","MoKα","","0.0543","0.0349","","","0.0752","0.083","","","","","","1.16","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014996","7.7406","0.0007","14.9682","0.0014","5.4928","0.0007","90","","90","","90","","636.41","0.12","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","3,5-Dimethyl-1,3,5-oxadiazane-2,4,6-trione","3,5-Dimethyl-1,3,5-oxadiazane-2,4,6-trione","","- C5 H6 N2 O4 -","- C5 H6 N2 O4 -","- C20 H24 N8 O16 -","4","0.5","FR1522","Geith, Janna; Klapötke, Thomas M.; Mayer, Peter; Schulz, Axel; Weigand, Jan J.","3,5-Dimethyl-1,3,5-oxadiazane-2,4,6-trione: short intermolecular contacts determining the crystal packing","Acta Crystallographica Section C","2005","61","9","o545","o547","10.1107/S0108270105023231","","","0.71073","MoKα","","0.0464","0.0326","","","0.0858","0.0918","","","","","","0.961","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015033","10.587","0.002","12.899","0.003","7.714","0.002","90","","90","","90","","1053.4","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Glycine magnesium(II) dichloride tetrahydrate","catena-Poly[[[tetraaquamagnesium(II)]-μ-glycine] dichloride]","","- C2 H13 Cl2 Mg N O6 -","- C2 H13 Cl2 Mg N O6 -","- C8 H52 Cl8 Mg4 N4 O24 -","4","0.5","JZ1726","Michel Fleck; Ladislav Bohatý","Two novel glycine metal halogenides: <i>catena</i>-poly[[[diaquanickel(II)]-di-μ-glycine] dibromide] and <i>catena</i>-poly[[[tetraaquamagnesium(II)]-μ-glycine] dichloride]","Acta Crystallographica Section C","2005","61","9","m412","m416","10.1107/S0108270105023619","","","0.71073","MoKα","","0.0315","0.0278","","","0.0736","0.0766","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015107","9.9128","0.0004","10.783","0.0003","13.4209","0.0005","90","","90","","90","","1434.56","0.09","292","","292","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dipotassium copper(II) bis(dihydrogendiphosphate) dihydrate","","- Cu H8 K2 O16 P4 -","- Cu H8 K2 O16 P4 -","- Cu4 H32 K8 O64 P16 -","4","0.5","BC1079","Essehli, Rachid; El Bali, Brahim; Alaoui Tahiri, Aziz; Lachkar, Mohammed; Manoun, Bouchaib; Dušek, Michal; Fejfarova, Karla","K~2~<i>M</i>(H~2~P~2~O~7~)~2~·2H~2~O (<i>M</i> = Ni, Cu, Zn): orthorhombic forms and Raman spectra","Acta Crystallographica Section C","2005","61","12","i120","i124","10.1107/S0108270105036656","","","0.71069","MoKα","","0.0437","0.0243","","","0.062","0.0713","","","","","","1.12","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015108","9.9117","0.0003","10.7736","0.0003","13.4219","0.0005","90","","90","","90","","1433.25","0.08","292","","292","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dipotassium nickel(II) bis(dihydrogendiphosphate) dihydrate","","- H8 K2 Ni O16 P4 -","- H8 K2 Ni O16 P4 -","- H32 K8 Ni4 O64 P16 -","4","0.5","BC1079","Essehli, Rachid; El Bali, Brahim; Alaoui Tahiri, Aziz; Lachkar, Mohammed; Manoun, Bouchaib; Dušek, Michal; Fejfarova, Karla","K~2~<i>M</i>(H~2~P~2~O~7~)~2~·2H~2~O (<i>M</i> = Ni, Cu, Zn): orthorhombic forms and Raman spectra","Acta Crystallographica Section C","2005","61","12","i120","i124","10.1107/S0108270105036656","","","0.71069","MoKα","","0.0276","0.0252","","","0.0866","0.0894","","","","","","1.31","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015109","9.7699","0.0002","10.9749","0.0003","13.4201","0.0003","90","","90","","90","","1438.95","0.06","292","","292","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dipotassium zinc(II) bis(dihydrogendiphosphate) dihydrate","","- H8 K2 O16 P4 Zn -","- H8 K2 O16 P4 Zn -","- H32 K8 O64 P16 Zn4 -","4","0.5","BC1079","Essehli, Rachid; El Bali, Brahim; Alaoui Tahiri, Aziz; Lachkar, Mohammed; Manoun, Bouchaib; Dušek, Michal; Fejfarova, Karla","K~2~<i>M</i>(H~2~P~2~O~7~)~2~·2H~2~O (<i>M</i> = Ni, Cu, Zn): orthorhombic forms and Raman spectra","Acta Crystallographica Section C","2005","61","12","i120","i124","10.1107/S0108270105036656","","","0.71069","MoKα","","0.0347","0.0301","","","0.0877","0.0904","","","","","","1.74","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015122","7.7238","0.0002","5.90226","0.00017","10.4499","0.0003","90","","90","","90","","476.39","0.02","300","","300","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.0552","","","","","","","","0.6283","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015123","7.69999","0.00015","5.86734","0.00011","10.4039","0.0002","90","","90","","90","","470.032","0.016","200","","200","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.0473","","","","","","","","0.7255","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015124","7.6902","0.00013","5.84889","0.00009","10.37848","0.00017","90","","90","","90","","466.815","0.013","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.0474","","","","","","","","0.8259","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015125","7.68265","0.00011","5.83059","0.00008","10.35278","0.00015","90","","90","","90","","463.746","0.011","100","","100","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.037","","","","","","","","0.8161","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015126","7.67874","0.00009","5.81248","0.00007","10.32788","0.00012","90","","90","","90","","460.959","0.009","50","","50","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.033","","","","","","","","0.8982","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015127","7.67735","0.0001","5.80377","0.00008","10.31316","0.00013","90","","90","","90","","459.529","0.01","1.5","","1.5","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.0357","","","","","","","","0.9134","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015167","20.174","0.003","7.343","0.001","10.614","0.0014","90","","90","","90","","1572.3","0.4","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","1,4-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane diiodide acetonitrile solvate","","","- C10 H21 I2 N3 -","- C10 H21 I2 N3 -","- C40 H84 I8 N12 -","4","0.5","HJ1071","Janzen, Daron E.; Ewbank, Paul C.; Mann, Kent R.","1,4-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane diiodide acetonitrile solvate","Acta Crystallographica Section C","2005","61","11","o631","o633","10.1107/S0108270105028763","","","0.71069","MoKα","","0.0409","0.0291","","","0.0432","0.0451","","","","","","1.111","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015287","17.2475","0.0017","20.415","0.0019","9.102","0.001","90","","90","","90","","3204.9","0.6","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","syn-2^2^,4^2^-dihydroxy-1^5^,2^5^,3^5^,4^5^-tetranitro-1^2^,3^2^- bis(prop-2-enoxy)thiacalix[4]arene","","- C30 H20 N4 O12 S4 -","- C30 H20 N4 O12 S4 -","- C120 H80 N16 O48 S16 -","4","0.5","AV3005","Kasyan, Oleg; Thondorf, Iris; Bolte, Michael; Kalchenko, Vitaly; Böhmer, Volker","Unusual conformations of 1,3-dialkoxythiacalix[4]arenes in the solid state","Acta Crystallographica Section C","2006","62","5","o289","o294","10.1107/S0108270106011243","","","0.71073","MoKα","","0.1145","0.0926","","","0.2373","0.2565","","","","","","1.104","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015394","7.8714","0.0002","6.1236","0.0002","10.5424","0.0003","90","","90","","90","","508.16","0.03","290","1","290","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dirubidium fluorotrioxophosphate","","- F O3 P Rb2 -","- F O3 P Rb2 -","- F4 O12 P4 Rb8 -","4","0.5","SQ3009","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Císařová, Ivana","Dirubidium fluorotrioxophosphate, Rb~2~PO~3~F, at 290 and 130K, and dicaesium fluorotrioxophosphate, Cs~2~PO~3~F, at 240 and 100K","Acta Crystallographica Section C","2006","62","6","i49","i52","10.1107/S0108270106016350","","","0.71069","MoKα","","0.0209","0.0179","","","0.0292","0.0303","","","","","","1.21","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015395","7.8403","0.0002","6.1034","0.0002","10.4813","0.0003","90","","90","","90","","501.56","0.03","130","1","130","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Di-rubidium fluorotrioxophosphate","","- F O3 P Rb2 -","- F O3 P Rb2 -","- F4 O12 P4 Rb8 -","4","0.5","SQ3009","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Císařová, Ivana","Dirubidium fluorotrioxophosphate, Rb~2~PO~3~F, at 290 and 130K, and dicaesium fluorotrioxophosphate, Cs~2~PO~3~F, at 240 and 100K","Acta Crystallographica Section C","2006","62","6","i49","i52","10.1107/S0108270106016350","","","0.71069","MoKα","","0.0223","0.0205","","","0.0322","0.0332","","","","","","1.39","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015396","8.308","0.002","6.3812","0.0009","11.036","0.002","90","","90","","90","","585.07","0.19","240","1","240","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dicaesium fluorotrioxophosphate","","- Cs2 F O3 P -","- Cs2 F O3 P -","- Cs8 F4 O12 P4 -","4","0.5","SQ3009","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Císařová, Ivana","Dirubidium fluorotrioxophosphate, Rb~2~PO~3~F, at 290 and 130K, and dicaesium fluorotrioxophosphate, Cs~2~PO~3~F, at 240 and 100K","Acta Crystallographica Section C","2006","62","6","i49","i52","10.1107/S0108270106016350","","","0.71069","MoKα","","0.0264","0.0221","","","0.0354","0.0368","","","","","","1.48","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015397","8.2821","0.0008","6.3577","0.0006","10.9827","0.0008","90","","90","","90","","578.3","0.09","100","1","100","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dicaesium fluorotrioxophosphate","","- Cs2 F O3 P -","- Cs2 F O3 P -","- Cs8 F4 O12 P4 -","4","0.5","SQ3009","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Císařová, Ivana","Dirubidium fluorotrioxophosphate, Rb~2~PO~3~F, at 290 and 130K, and dicaesium fluorotrioxophosphate, Cs~2~PO~3~F, at 240 and 100K","Acta Crystallographica Section C","2006","62","6","i49","i52","10.1107/S0108270106016350","","","0.71069","MoKα","","0.0191","0.0165","","","0.0334","0.0356","","","","","","1.52","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015423","32.147","0.006","12.048","0.002","8.0652","0.0016","90","","90","","90","","3123.7","1","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2-methylimidazolium hexa-μ~2~-acetato-acetatodiaqua-μ~3~-oxo-triiron(III) chloride dihydrate","","- C18 H36 Cl Fe3 N2 O19 -","- C18 H28 Cl Fe3 N2 O19 -","- C72 H112 Cl4 Fe12 N8 O76 -","4","0.5","FA3019","Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio","Two oxo complexes with tetranuclear [Fe~4~(μ~3~-O)~2~]^8+^ and trinuclear [Fe~3~(μ~3~-O)]^7+^ units","Acta Crystallographica Section C","2006","62","7","m297","m302","10.1107/S0108270106020087","","","0.71073","MoKα","","0.1551","0.0687","","","0.1645","0.2225","","","","","","1.013","","","","has coordinates,has Fobs","194047","2020-10-21","18:00:00",""
"2015532","9.7577","0.001","5.6319","0.0006","9.5579","0.001","90","","90","","90","","525.25","0.1","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Triaquamanganese sulfite","","- H6 Mn O6 S -","- H6 Mn O6 S -","- H24 Mn4 O24 S4 -","4","0.5","BC3010","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","Triaquamanganese sulfite revisited","Acta Crystallographica, Section C","2006","62","9","i79","i82","10.1107/S0108270106028253","","","0.71073","MoKα","","0.0242","0.0238","","","0.0677","0.068","","","","","","1.35","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2015585","18.0255","0.0011","7.6426","0.0005","10.7325","0.0008","90","","90","","90","","1478.53","0.17","296","","296","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Dichloro[(1E,1'E)-1,1'-(pyridine-2,6-diyl)diethanone bis(O-methyl oxime)-κ^3^N^1^,N^2^,N^6^]cobalt(II)","","- C11 H15 Cl2 Co N3 O2 -","- C11 H15 Cl2 Co N3 O2 -","- C44 H60 Cl8 Co4 N12 O8 -","4","0.5","SQ3032","Özdemir, Namık; Dinçer, Muharrem; Dayan, Osman; Çetinkaya, Bekir","Dichloro[(1<i>E</i>,1'<i>E</i>)-1,1'-(pyridine-2,6-diyl)diethanone bis(<i>O</i>-methyloxime)-κ^3^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^6^]cobalt(II)","Acta Crystallographica Section C","2006","62","9","m398","m400","10.1107/S0108270106026916","","","0.71073","MoKα","","0.0322","0.0242","","","0.0585","0.0607","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015786","13.5254","0.0004","13.1646","0.0004","7.6908","0.0002","90","","90","","90","","1369.4","0.07","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-[3-(2-pyridyl)-1,2,5-oxadiazol-4-yl]pyridinium perchlorate","","- C12 H9 Cl N4 O5 -","- C12 H9 Cl N4 O5 -","- C48 H36 Cl4 N16 O20 -","4","0.5","FA3049","Liu, Na; Cheng, Ai-Ling; Gao, En-Qing","3,4-Di-2-pyridyl-1,2,5-oxadiazole and its perchlorate salt","Acta Crystallographica Section C","2007","63","2","o93","o95","10.1107/S0108270106052401","","","0.71073","MoKα","","0.1105","0.0637","","","0.1976","0.2213","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015836","12.1624","0.0004","7.2782","0.0002","21.4837","0.0007","90","","90","","90","","1901.75","0.1","243","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","butylammonium hexachloridotin(IV)","","- C8 H24 Cl6 N2 Sn -","- C8 H24 Cl6 N2 Sn -","- C32 H96 Cl24 N8 Sn4 -","4","0.5","BM3022","Lemmerer, Andreas; Billing, David G.; Reisinger, Sandra A.","Isostructural crystal packing and hydrogen bonding in alkylammonium tin(IV) chloride compounds","Acta Crystallographica Section C","2007","63","3","m97","m100","10.1107/S0108270107004659","","","0.71073","MoKα","","","0.0375","","","","0.1029","","","","","","1.129","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015837","12.2351","0.0005","7.2021","0.0003","24.5723","0.0009","90","","90","","90","","2165.27","0.15","243","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","pentylammonium hexachloridotin(IV)","","- C10 H28 Cl6 N2 Sn -","- C10 H28 Cl6 N2 Sn -","- C40 H112 Cl24 N8 Sn4 -","4","0.5","BM3022","Lemmerer, Andreas; Billing, David G.; Reisinger, Sandra A.","Isostructural crystal packing and hydrogen bonding in alkylammonium tin(IV) chloride compounds","Acta Crystallographica Section C","2007","63","3","m97","m100","10.1107/S0108270107004659","","","0.71073","MoKα","","","0.0434","","","","0.1181","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015838","12.3622","0.0003","7.3179","0.0002","26.6245","0.0006","90","","90","","90","","2408.59","0.1","293","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","hexylammonium hexachloridotin(IV)","","- C12 H32 Cl6 N2 Sn -","- C12 H32 Cl6 N2 Sn -","- C48 H128 Cl24 N8 Sn4 -","4","0.5","BM3022","Lemmerer, Andreas; Billing, David G.; Reisinger, Sandra A.","Isostructural crystal packing and hydrogen bonding in alkylammonium tin(IV) chloride compounds","Acta Crystallographica Section C","2007","63","3","m97","m100","10.1107/S0108270107004659","","","0.71073","MoKα","","","0.0752","","","","0.2171","","","","","","1.112","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015846","23.5972","0.0007","10.7419","0.0004","12.0086","0.0004","90","","90","","90","","3043.93","0.18","123.1","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","bis(dimethylphosphino)dimethylphosphonium trifluoromethanesulfonate","","- C7 H18 F3 O3 P3 S -","- C7 H18 F3 O3 P3 S -","- C56 H144 F24 O24 P24 S8 -","8","1","FA3074","Weigand, Jan J.; Davidson, Reagan J.; Cameron, T. Stanley; Burford, Neil","A second polymorph of bis(dimethylphosphino)dimethylphosphonium trifluoromethanesulfonate","Acta Crystallographica Section C","2007","63","3","o193","o195","10.1107/S0108270107006671","","","0.7107","MoKα","","","0.052","","","","0.063","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015852","11.7673","0.0002","9.2325","0.0001","16.3007","0.0003","90","","90","","90","","1770.93","0.05","120","2","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","6,6-dichlorocyclo-2,2:4,4-bis(2,2-dimethylpropane-1,3-dioxy)triphosphazene","","- C10 H20 Cl2 N3 O4 P3 -","- C10 H20 Cl2 N3 O4 P3 -","- C40 H80 Cl8 N12 O16 P12 -","4","0.5","GD3078","Coles, Simon J.; Davies, David B.; Hacıvelioğlu, Ferda; Hursthouse, Michael B.; İbişoğlu, Hanife; Kılıç, Adem; Shaw, Robert A.","Dimorphism in 4,4,6,6-tetrachloro-2,2-(2,2-dimethylpropane-1,3-dioxy)cyclotriphosphazene and 6,6-dichloro-2,2:4,4-bis(2,2-dimethylpropane-1,3-dioxy)cyclotriphosphazene","Acta Crystallographica Section C","2007","63","3","o152","o156","10.1107/S0108270107003046","","","0.71073","MoKα","","","0.0288","","","","0.0776","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015918","8.2526","0.0006","6.521","0.0002","19.7707","0.0002","90","","90","","90","","1063.96","0.08","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ethyl N-[2-(hydroxyacetyl)phenyl]carbamate","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","0.5","SK3102","Garden, Simon J.; Corrêa, Marilza B.; Pinto, Angelo C.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Ethyl <i>N</i>-[2-(hydroxyacetyl)phenyl]carbamate, ethyl <i>N</i>-[2-(hydroxyacetyl)-4-iodophenyl]carbamate and ethyl <i>N</i>-[2-(hydroxyacetyl)-4-methylphenyl]carbamate","Acta Crystallographica Section C","2007","63","4","o234","o238","10.1107/S0108270107008682","","","0.71073","MoKα","","0.0515","0.0399","","","0.0997","0.1062","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015948","26.709","0.005","25.884","0.005","3.779","0.001","90","","90","","90","","2612.6","1","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,4,6-Triamino-1,3,5-triazine‒1H-isoindole-1,3(2H)-dione (1/3)","","- C27 H21 N9 O6 -","- C27 H21 N9 O6 -","- C108 H84 N36 O24 -","4","0.5","GG3088","Genivaldo Júlio Perpétuo; Jan Janczak","2,4,6-Triamino-1,3,5-triazine‒1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione (1/3)","Acta Crystallographica Section C","2007","63","5","o301","o302","10.1107/S0108270107015880","","","0.71073","MoKα","","0.0567","0.0336","","","0.0818","0.0923","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016041","7.9749","0.0002","7.9205","0.0002","13.3152","0.0003","90","","90","","90","","841.06","0.04","291","0.3","291","0.3","","","","","","","","5","P n m a","-P 2ac 2n","62","dibromantin","1,3-Dibromo-5,5-dimethyl-2,4-imidazolidinedione","","- C5 H6 Br2 N2 O2 -","- C5 H6 Br2 N2 O2 -","- C20 H24 Br8 N8 O8 -","4","0.5","GG3081","Kruszynski, Rafal","Short intermolecular N—Br···O=C contacts in 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione","Acta Crystallographica Section C","2007","63","7","o389","o391","10.1107/S0108270107013868","","","0.71073","MoKα","","0.018","0.0162","","","0.039","0.04","","","","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016086","11.7045","0.0008","10.3432","0.0007","5.7082","0.0004","90","","90","","90","","691.05","0.08","295","2","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","tricalcium monogermanate dichloride","","- Ca3 Cl2 Ge O4 -","- Ca3 Cl2 Ge O4 -","- Ca12 Cl8 Ge4 O16 -","4","0.5","EM3006","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg","Ca~3~GeO~4~Cl~2~ with a norbergite-like structure","Acta Crystallographica Section C","2007","63","8","i69","i72","10.1107/S0108270107030478","","","0.71073","MoKα","","","0.0246","","","","0.057","","","","","","1.148","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016117","11.655","0.0009","6.1372","0.0005","8.6994","0.0006","90","","90","","90","","622.26","0.08","100","1","100","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-chloro-1-methyl-4-nitro-1H-imidazole","","- C4 H4 Cl N3 O2 -","- C4 H4 Cl N3 O2 -","- C16 H16 Cl4 N12 O8 -","4","0.5","SK3142","Kubicki, Maciej; Wagner, Paweł","Two different modes of halogen bonding in two 4-nitroimidazole derivatives","Acta Crystallographica Section C","2007","63","8","o454","o457","10.1107/S0108270107029721","","","0.71073","MoKα","","0.0538","0.0298","","","0.0578","0.0646","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016243","11.5578","0.0005","6.8987","0.0003","13.99","0.0006","90","","90","","90","","1115.48","0.08","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-(2-methylprop-1-enyl)-8-nitroquinoline","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","0.5","FA3106","Sopková-de Oliveira Santos, Jana; Verhaeghe, Pierre; Lohier, Jean-François; Rathelot, Pascal; Vanelle, Patrice; Rault, Sylvain","Quinoline derivatives: potential antiparasitic and antiviral agents","Acta Crystallographica Section C","2007","63","11","o643","o645","10.1107/S0108270107046550","","","0.71073","MoKα","","0.0462","0.0395","","","0.1173","0.1288","","","","","","1.093","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016394","5.04022","0.00013","10.4054","0.0003","17.4541","0.0005","90","","90","","90","","915.39","0.04","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","trilithium gallium trimolybdate","","- Ga Li3 Mo3 O12 -","- Ga1.0028 Li2.9972 Mo3 O12 -","- Ga4.0112 Li11.9888 Mo12 O48 -","4","0.5","IZ3035","A. van der Lee; M. Beaurain; P. Armand","LiFe(MoO~4~)~2~, LiGa(MoO~4~)~2~ and Li~3~Ga(MoO~4~)~3~","Acta Crystallographica Section C","2008","64","1","i1","i4","10.1107/S0108270107061975","","","0.71073","MoKα","","0.0369","0.0312","","0.085","0.0836","0.085","","","","","","1.1353","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016508","14.863","0.0004","12.8457","0.0003","9.8852","0.0002","90","","90","","90","","1887.34","0.08","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","tetrachlorido(dipyrido[f,h]quinoxaline-6,7-dicarbonitrile)tin(IV)","","- C16 H6 Cl4 N6 Sn -","- C16 H6 Cl4 N6 Sn -","- C64 H24 Cl16 N24 Sn4 -","4","0.5","LN3086","Kozlov, Leonid; Goldberg, Israel","Supramolecular interaction patterns in the zinc(II) dichloride and tin(IV) tetrachloride complexes with dipyrido[<i>f</i>,<i>h</i>]quinoxaline-6,7-dicarbonitrile","Acta Crystallographica Section C","2008","64","3","m123","m126","10.1107/S010827010800303X","","","0.71073","MoKα","","0.056","0.0378","","","0.0818","0.0892","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016559","7.352","0.004","20.734","0.011","7.78","0.004","90","","90","","90","","1186","1.1","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","dipotassium tris{[(sulfitomercurato(II)] oxonium}","dipotassium μ~3~-oxido-tris[sulfitomercury(II)]","","- Hg3 K2 O10 S3 -","- Hg3 K2 O10 S3 -","- Hg12 K8 O40 S12 -","4","0.5","IZ3045","Weil, Matthias; Baumann, Stefan; Breitinger, Dietrich K.","K~2~[O(HgSO~3~)~3~], a new sulfitomercurate with an [OHg~3~] core","Acta Crystallographica Section C","2008","64","4","i35","i37","10.1107/S0108270108005179","","","0.71073","MoKα","","0.0262","0.0228","","","0.0535","0.0547","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016639","6.9565","0.0007","41.727","0.004","13.4827","0.0015","90","","90","","90","","3913.7","0.7","213","2","213","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","3,3',5,5'-Tetramethyl-4,4'-bipyrazole‒pentafluorophenol (2/3)","","- C38 H31 F15 N8 O3 -","- C38 H31 F15 N8 O3 -","- C152 H124 F60 N32 O12 -","4","0.5","GG3148","Domasevitch, Konstantin V.","3,3',5,5'-Tetramethyl-4,4'-bipyrazole‒pentafluorophenol (2/3)","Acta Crystallographica Section C","2008","64","6","o326","o329","10.1107/S0108270108013632","","","0.71073","MoKα","","0.0471","0.039","","","0.1009","0.1055","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016720","9.6276","0.0001","14.718","0.0002","5.2468","0.0004","90","","90","","90","","743.47","0.06","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","silver(I) nitrate‒piperazine-2.5-dione (1/1)","","- C8 H12 Ag2 N6 O10 -","- C8 H12 Ag2 N6 O10 -","- C16 H24 Ag4 N12 O20 -","2","0.25","GG3165","Sarangarajan, Thanjavur R.; Krishnamoorthy, Belli S.; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Three-dimensional frameworks built from piperazine-2,5-dione and simple metal salts (<i>M</i> = Co, Ni, Cu and Ag)","Acta Crystallographica Section C","2008","64","8","m286","m291","10.1107/S010827010801648X","","","0.71073","MoKα","","0.0189","0.017","","","0.0428","0.044","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016805","16.7754","0.0004","6.6044","0.0002","8.2683","0.0002","90","","90","","90","","916.06","0.04","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","","3-acetylanilinium nitrate","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","0.5","GD3241","Cinčić, Dominik; Kaitner, Branko","3-Acetylanilinium bromide, nitrate and dihydrogen phosphate: hydrogen-bonding motifs in one, two and three dimensions","Acta Crystallographica Section C","2008","64","10","o561","o565","10.1107/S0108270108028771","","","0.71073","MoKα","","0.0528","0.0421","","","0.1146","0.1288","","","","","","1.124","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016940","7.3917","0.0012","16.369","0.003","6.4886","0.0008","90","","90","","90","","785.1","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","titanium(IV) tellurium(IV) trioxide difluoride","","- F2 O3 Te Ti -","- F2 O3 Te Ti -","- F16 O24 Te8 Ti8 -","8","1","SQ3173","Laval, Jean Paul; Jennene Boukharrata, Nefla","New vanadium(IV) and titanium(IV) oxyfluorotellurates(IV): V~2~Te~2~O~7~F~2~ and TiTeO~3~F~2~","Acta Crystallographica Section C","2009","65","1","i1","i6","10.1107/S0108270108036755","","","0.71073","MoKα","","0.0431","0.0322","","","0.0738","0.0784","","","","","","1.07","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017074","8.825","0.002","8.408","0.002","4.669","0.001","90","","90","","90","","346.44","0.14","299","2","299","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Aluminium oxyfluoride","","- Al F O -","- Al F O -","- Al12 F12 O12 -","12","1.5","SQ3190","Vasiliev, Alexander D.; Melnikova, Svetlana V.; Isaenko, Lyudmila I.","Orthorhombic aluminium oxyfluoride, AlOF","Acta Crystallographica Section C","2009","65","4","i20","i22","10.1107/S0108270109010671","","","0.71073","MoKα","","0.044","0.0308","","","0.071","0.0775","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017127","10.788","0.002","12.702","0.002","15.784","0.003","90","","90","","90","","2162.9","0.7","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","poly[[hexa-μ~3~-acetato-trimanganese(II)] acetonitrile solvate]","","- C14 H21 Mn3 N O12 -","- C14 H21 Mn3 N O12 -","- C56 H84 Mn12 N4 O48 -","4","0.5","EG3016","Fielden, John; Kögerler, Paul","Mn~3~(OAc)~6~·CH~3~CN: a porous dehydrated manganese(II) acetate","Acta Crystallographica Section C","2009","65","6","m224","m227","10.1107/S0108270109014693","","","0.71073","MoKα","","0.0384","0.0267","","","0.0635","0.0705","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017316","12.628","0.003","4.1398","0.0008","14.953","0.003","90","","90","","90","","781.7","0.3","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Barium dierbium tetraselenide","","- Ba Er2 Se4 -","- Ba Er2 Se4 -","- Ba4 Er8 Se16 -","4","0.5","SQ3208","Bugaris, Daniel E.; Ibers, James A.","Ba<i>Ln</i>~2~Se~4~ (<i>Ln</i> = Er, Tm and Yb)","Acta Crystallographica Section C","2009","65","9","i60","i62","10.1107/S0108270109030571","","","0.71073","MoKα","","0.0268","0.0249","","","0.066","0.0664","","","","","","1.539","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017317","12.605","0.003","4.1311","0.0008","14.919","0.003","90","","90","","90","","776.9","0.3","110","2","110","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Barium dithulium tetraselenide","","- Ba Se4 Tm2 -","- Ba Se4 Tm2 -","- Ba4 Se16 Tm8 -","4","0.5","SQ3208","Bugaris, Daniel E.; Ibers, James A.","Ba<i>Ln</i>~2~Se~4~ (<i>Ln</i> = Er, Tm and Yb)","Acta Crystallographica Section C","2009","65","9","i60","i62","10.1107/S0108270109030571","","","0.71073","MoKα","","0.0185","0.0176","","","0.042","0.0423","","","","","","1.266","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017318","12.58","0.003","4.115","0.0008","14.86","0.003","90","","90","","90","","769.3","0.3","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Barium diytterbium tetraselenide","","- Ba Se4 Yb2 -","- Ba Se4 Yb2 -","- Ba4 Se16 Yb8 -","4","0.5","SQ3208","Bugaris, Daniel E.; Ibers, James A.","Ba<i>Ln</i>~2~Se~4~ (<i>Ln</i> = Er, Tm and Yb)","Acta Crystallographica Section C","2009","65","9","i60","i62","10.1107/S0108270109030571","","","0.71073","MoKα","","0.0204","0.0182","","","0.0411","0.0416","","","","","","1.219","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017368","12.2665","0.0011","4.8875","0.0004","8.3697","0.0008","90","","90","","90","","501.78","0.08","293","","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","europium iodide","europium(II) diiodide","","- Eu I2 -","- Eu I2 -","- Eu4 I8 -","4","0.5","SQ3214","Krings, Michael; Wessel, Michael; Dronskowski, Richard","EuI~2~, a low-temperature europium(II) iodide phase","Acta Crystallographica Section C","2009","65","10","i66","i68","10.1107/S0108270109038542","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.49","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017551","8.8599","0.0008","15.0248","0.0014","5.8952","0.0004","90","","90","","90","","784.76","0.11","130","2","130","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","<i>p</i>-phenylenedimamine dihydrate","","- C6 H12 N2 O2 -","- C6 H12 N2 O2 -","- C24 H48 N8 O8 -","4","0.5","FG3154","Czapik, Agnieszka; Konowalska, Hanna; Gdaniec, Maria","<i>p</i>-Phenylenediamine and its dihydrate: two-dimensional isomorphism and mechanism of the dehydration process, and N—H···N and N—H···π interactions","Acta Crystallographica Section C","2010","66","3","o128","o132","10.1107/S010827011000541X","","","0.71073","MoKα","","0.0442","0.0317","","","0.0791","0.0859","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017982","6.518","0.001","6.95","0.001","4.389","0.001","90","","90","","90","","198.82","0.06","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Gadolinium ytterbium trifluoride","","- F3 Gd0.81 Yb0.19 -","- F3 Gd0.81 Yb0.19 -","- F12 Gd3.24 Yb0.76 -","4","0.5","KU3037","Vasyliev, Valentyn; Villora, Encarnacion G.; Nakamura, Masaru; Sato, Akira; Shimamura, Kiyoshi","Gadolinium ytterbium trifluoride, Gd~0.81~Yb~0.19~F~3~","Acta Crystallographica Section C","2011","67","2","i7","i9","10.1107/S0108270110049851","","","0.71073","MoKα","","0.0204","0.0197","","","0.0515","0.0519","","","","","","1.228","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018009","7.6785","0.0011","24.523","0.003","6.9265","0.001","90","","90","","90","","1304.3","0.3","295","2","295","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","trilanthanum pentacopper heptaselenide","","- Cu4.88 La3 Se7 -","- Cu4.878 La3 Se7 -","- Cu19.512 La12 Se28 -","4","0.5","FN3073","Gulay, L. D.; Daszkiewicz, M.; Strok, O. M.; Pietraszko, A.","Disordered La~3~Cu~4.88~Se~7~","Acta Crystallographica Section C","2011","67","3","i24","i26","10.1107/S0108270111005889","","","0.71073","MoKα","","0.098","0.0407","","","0.0417","0.0514","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018040","19.0103","0.0009","15.7378","0.0007","7.6394","0.0004","90","","90","","90","","2285.56","0.19","220","2","220","","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>cis</i>-dichloridobis(triethylphosphine)platinum(II) chloroform monosolvate","","- C13 H31 Cl5 P2 Pt -","- C13 H31 Cl5 P2 Pt -","- C52 H124 Cl20 P8 Pt4 -","4","0.5","LN3146","Dillon, Keith B.; Howard, Judith A. K.; Monks, Philippa K.; Probert, Michael R.; Shepherd, Helena J.","A dynamic disorder-linked reversible phase transition in a new chloroform solvate of <i>cis</i>-dichloridobis(triethylphosphane)platinum(II)","Acta Crystallographica Section C","2011","67","4","m111","m114","10.1107/S0108270111008353","","","0.71073","MoKα","","0.0536","0.0385","","","0.0951","0.1051","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018214","12.808","0.003","11.768","0.002","22.569","0.005","90","","90","","90","","3401.7","1.2","293","2","293","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","tetraethylammonium dibromido-μ~3~-sulfido-di-μ~2~-sulfido-[tris(3,5- dimethylpyrazol-1-yl)borato]dicopper(I)tungsten(VI)","","- C23 H42 B Br2 Cu2 N7 S3 W -","- C23 H42 B Br2 Cu2 N7 S3 W -","- C92 H168 B4 Br8 Cu8 N28 S12 W4 -","4","0.5","BI3020","Wei, Zhenhong; You, Xiuli","Two W/Cu/S clusters: tetraethylammonium bromidodi-μ~2~-sulfido-sulfido[tris(3,5-dimethylpyrazol-1-yl)borato]copper(I)tungsten(VI) and tetraethylammonium dibromido-μ~3~-sulfido-di-μ~2~-sulfido-[tris(3,5-dimethylpyrazol-1-yl)borato]dicopper(I)tungsten(VI)","Acta Crystallographica Section C","2011","67","9","m307","m310","10.1107/S0108270111032586","","","0.71073","MoKα","","0.0502","0.0434","","","0.1156","0.1196","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018284","7.115","0.003","4.933","0.002","8.908","0.004","90","","90","","90","","312.7","0.2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","diyttrium gold","","- Au Y2 -","- Au Y2 -","- Au4 Y8 -","4","0.5","FN3086","Chai, Ping; Corbett, John D.","Two new compounds, β-ScTe and Y~3~Au~2~, and a reassessment of Y~2~Au","Acta Crystallographica Section C","2011","67","11","i53","i55","10.1107/S010827011103589X","","","0.71073","MoKα","","0.0314","0.0258","","","0.056","0.0578","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018350","5.3702","0.0001","27.9903","0.0004","8.8811","0.0001","90","","90","","90","","1334.95","0.03","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","lead(II) dicalcium octaaluminate","","- Al8 Ca2 O15 Pb -","- Al8 Ca2 O15 Pb -","- Al32 Ca8 O60 Pb4 -","4","0.5","LG3070","Artner, Christine; Weil, Matthias","PbCa~2~[Al~8~O~15~] with a novel three-dimensional aluminate anion","Acta Crystallographica Section C","2012","68","1","i1","i3","10.1107/S0108270111054679","","","0.71073","MoKα","","0.0289","0.0242","","","0.0582","0.0597","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018398","12.2788","0.0001","17.4866","0.0002","6.6851","0.0001","90","","90","","90","","1435.39","0.03","120","0.14","120","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Bis(2-carbamoylguanidinium) fluorophosphonate","","- C4 H18 F N8 O7 P -","- C4 H18 F N8 O7 P -","- C16 H72 F4 N32 O28 P4 -","4","0.5","SK3423","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Two polymorphs of bis(2-carbamoylguanidinium) fluorophosphonate dihydrate","Acta Crystallographica Section C","2012","68","2","o71","o75","10.1107/S0108270111053133","","","1.5418","CuKα","","0.0361","0.0335","","","0.0854","0.0862","","","","","","2.93","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018502","5.0372","0.001","10.32","0.002","17.272","0.004","90","","90","","90","","897.9","0.3","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Trilithium aluminium trimolybdate(VI)","","- Al Li3 Mo3 O12 -","- Al Li3 Mo3 O12 -","- Al4 Li12 Mo12 O48 -","4","0.5","KU3069","Bugaris, Daniel E.; Loye, Hans-Conrad zur","Li~3~Al(MoO~4~)~3~, a lyonsite molybdate","Acta Crystallographica Section C","2012","68","6","i34","i36","10.1107/S0108270112020513","","","0.71073","MoKα","","0.0274","0.0206","","","0.0447","0.0475","","","","","","1.119","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018513","6.695","0.0005","11.088","0.0008","21.687","0.0016","90","","90","","90","","1609.9","0.2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","dibromo(dimethylsulfanyl)[4-(trimethylsilyl)phenyl]borane","","- C11 H19 B Br2 S Si -","- C11 H20 B Br2 S Si -","- C44 H80 B4 Br8 S4 Si4 -","4","0.5","SK3438","Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael","Structural characteristics of dibromoborylated benzene derivatives","Acta Crystallographica Section C","2012","68","6","o226","o230","10.1107/S0108270112020604","","","0.71073","MoKα","","0.0679","0.037","","","0.0752","0.0828","","","","","","0.897","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018514","12.773","0.002","27.267","0.005","12.941","0.002","90","","90","","90","","4507.1","1.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>catena</i>-poly[[tris[dichloridomercury(II)]-bis{μ~3~-4-amino- 5-(pyridin-3-yl)-3-[4-(pyridin-4-yl)phenyl]-4<i>H</i>-1,2,4-triazole}] acetonitrile monosolvate]","","- C38 H31 Cl6 Hg3 N13 -","- C38 H31 Cl6 Hg3 N13 -","- C152 H124 Cl24 Hg12 N52 -","4","0.5","WQ3013","Qin, Na; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","One-dimensional coordination polymers generated from a new triazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I): characterization and luminescent properties","Acta Crystallographica Section C","2012","68","6","m147","m151","10.1107/S0108270112017659","","","0.71073","MoKα","","0.0796","0.061","","","0.1717","0.1883","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018515","12.8037","0.0016","27.89","0.004","13.0245","0.0017","90","","90","","90","","4651","1.1","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>catena</i>-poly[[tris[dibromidomercury(II)]-bis{μ~3~-4-amino- 5-(pyridin-3-yl)-3-[4-(pyridin-4-yl)phenyl]-4<i>H</i>-1,2,4-triazole}] acetonitrile monosolvate]","","- C38 H31 Br6 Hg3 N13 -","- C38 H31 Br6 Hg3 N13 -","- C152 H124 Br24 Hg12 N52 -","4","0.5","WQ3013","Qin, Na; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","One-dimensional coordination polymers generated from a new triazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I): characterization and luminescent properties","Acta Crystallographica Section C","2012","68","6","m147","m151","10.1107/S0108270112017659","","","0.71073","MoKα","","0.0715","0.0485","","","0.1174","0.1328","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018516","12.822","0.003","28.976","0.007","13.309","0.003","90","","90","","90","","4945","2","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>catena</i>-poly[[tris[diiodidomercury(II)]-bis{μ~3~-4-amino- 5-(pyridin-3-yl)-3-[4-(pyridin-4-yl)phenyl]-4<i>H</i>-1,2,4-triazole}] acetonitrile monosolvate]","","- C38 H31 Hg3 I6 N13 -","- C38 H31 Hg3 I6 N13 -","- C152 H124 Hg12 I24 N52 -","4","0.5","WQ3013","Qin, Na; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","One-dimensional coordination polymers generated from a new triazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I): characterization and luminescent properties","Acta Crystallographica Section C","2012","68","6","m147","m151","10.1107/S0108270112017659","","","0.71073","MoKα","","0.0628","0.05","","","0.1276","0.1375","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018541","10.306","0.0004","6.0041","0.0002","4.69281","0.00015","90","","90","","90","","290.383","0.018","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Lithium Iron Phosphate","Lithium iron phosphate","","- Fe3.74 Li3.88 O16 P4 -","- Fe3.74 Li3.88 O16 P4 -","- Fe3.74 Li3.88 O16 P4 -","1","0.125","FN3107","Dal Bo, Fabrice; Hatert, Frédéric","Li~0.97~Fe^II^~0.79~Fe^III^~0.15~(PO~4~), a new oxidized triphylite-type phosphate","Acta Crystallographica Section C","2012","68","7","i53","i54","10.1107/S0108270112026649","","","0.7107","MoKα","","0.0305","0.0284","","","0.0707","0.0721","","","","","","1.198","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018752","7.2846","0.0016","14.938","0.003","7.8594","0.0017","90","","90","","90","","855.2","0.3","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tetrasamarium lithium tetragermanide","","- Ge4 Li1.03 Sm3.97 -","- Ge4 Li1.034 Sm3.966 -","- Ge16 Li4.136 Sm15.864 -","4","0.5","FN3120","Suen, Nian-Tzu; You, Tae-Soo; Bobev, Svilen","Synthesis, crystal structures and chemical bonding of RE~5{-~<i>x</i>}Li~<i>x~</i>Ge~4~ (RE = Nd, Sm and Gd; <i>x</i> \σimeq 1) with the orthorhombic Gd~5~Si~4~ type","Acta Crystallographica Section C","2013","69","1","1","4","10.1107/S0108270112050032","","","0.71073","MoKα","","0.0405","0.0276","","","0.047","0.0508","","","","","","1.019","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018753","7.3649","0.0012","15.092","0.002","7.9406","0.0013","90","","90","","90","","882.6","0.2","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tetraneodymium lithium tetragermanide","","- Ge4 Li1.03 Nd3.97 -","- Ge4 Li1.03 Nd3.97 -","- Ge16 Li4.12 Nd15.88 -","4","0.5","FN3120","Suen, Nian-Tzu; You, Tae-Soo; Bobev, Svilen","Synthesis, crystal structures and chemical bonding of RE~5{-~<i>x</i>}Li~<i>x~</i>Ge~4~ (RE = Nd, Sm and Gd; <i>x</i> \σimeq 1) with the orthorhombic Gd~5~Si~4~ type","Acta Crystallographica Section C","2013","69","1","1","4","10.1107/S0108270112050032","","","0.71073","MoKα","","0.0601","0.0361","","","0.0533","0.0597","","","","","","1.049","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018754","7.188","0.002","14.816","0.005","7.767","0.003","90","","90","","90","","827.2","0.5","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tetragadolinium lithium tetragermanide","","- Gd3.96 Ge4 Li1.04 -","- Gd3.954 Ge4 Li1.046 -","- Gd15.816 Ge16 Li4.184 -","4","0.5","FN3120","Suen, Nian-Tzu; You, Tae-Soo; Bobev, Svilen","Synthesis, crystal structures and chemical bonding of RE~5{-~<i>x</i>}Li~<i>x~</i>Ge~4~ (RE = Nd, Sm and Gd; <i>x</i> \σimeq 1) with the orthorhombic Gd~5~Si~4~ type","Acta Crystallographica Section C","2013","69","1","1","4","10.1107/S0108270112050032","","","0.71073","MoKα","","0.0608","0.0396","","","0.0787","0.0865","","","","","","1.014","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018853","7.585","","6.997","","9.852","","90","","90","","90","","522.868","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ag F2 As F5","","- Ag As F7 -","- Ag As F7 -","- Ag4 As4 F28 -","4","0.5","","Holloway, J.H.; Russell, D.R.; Frlec, B.; Gantar, D.","Structure of the 1:1 silver(II) fluoride - arsenic(V) fluoride adduct, AgF2*AsF5","Acta Crystallographica C (39,1983-)","1987","43","","618","620","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018862","11.37","","11.01","","14.091","","90","","90","","90","","1763.96","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K4 Ag3 (N O2)7","","- Ag3 K4 N7 O14 -","- Ag3 K4 N7 O14 -","- Ag12 K16 N28 O56 -","4","0.5","","Saito, Y.; Ohba, S.; Ishihara, M.; Okamura, Y.","Structure of tetrapotassium trisilver heptanitrite and potassium silver dinitrite hemihydrate","Acta Crystallographica C (39,1983-)","1989","45","","353","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019154","9.5735","0.0004","19.6344","0.0009","8.7321","0.0004","90","","90","","90","","1641.37","0.13","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","[H2B(3,5-(CF3)2Pz)2]Tl","{Bis[3,5-bis(trifluoromethyl)-1<i>H</i>pyrazol-1-yl-κ<i>N</i>^2^]borato}thallium(I)","","- C10 H4 B F12 N4 Tl -","- C10 H4 B F12 N4 Tl -","- C40 H16 B4 F48 N16 Tl4 -","4","0.5","YP3035","Dias, H. V. Rasika; Thankamani, Jose","Thallium(I) complexes of fluorinated bis- and tris(pyrazolyl)borate ligands: [H~2~B{3,5-(CF~3~)~2~pz}~2~]Tl and [HB{3,5-(CF~3~)~2~pz}~3~]Tl","Acta Crystallographica Section C","2013","69","9","959","962","10.1107/S0108270113016612","","","0.71073","MoKα","","0.0177","0.0169","","","0.0413","0.0415","","","","","","1.134","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019160","17.1939","0.0007","13.3487","0.0005","7.7658","0.0003","90","","90","","90","","1782.38","0.12","125","2","125","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","[Tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)hydroborato]indium(I)","","- C15 H22 B In N6 -","- C15 H22 B In N6 -","- C60 H88 B4 In4 N24 -","4","0.5","YP3041","Yurkerwich, Kevin; Rong, Yi; Parkin, Gerard","Gallium hydride and monovalent indium compounds that feature tris(pyrazolyl)hydroborate ligands","Acta Crystallographica Section C","2013","69","9","963","967","10.1107/S0108270113016648","","","0.71073","MoKα","","0.0294","0.0264","","","0.0737","0.0757","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019280","9.177","0.003","11.52","0.004","10.819","0.003","90","","90","","90","","1143.8","0.6","93","","93","","","","","","","","","5","P n m a","-P 2ac 2n","62","","10-Ethynyl-10<i>H</i>-phenothiazine 5,5-dioxide","","- C14 H9 N O2 S -","- C14 H9 N O2 S -","- C56 H36 N4 O8 S4 -","4","0.5","EG3141","Umezono, Satoru; Ikeda, Satoshi; Okuno, Tsunehisa","Transannular S···N interactions in 10-ethynyl-10<i>H</i>-phenothiazine 5-oxide and 5,5-dioxide","Acta Crystallographica Section C","2013","69","12","1553","1556","10.1107/S0108270113031661","","","0.71075","MoKα","","","0.0497","","","","0.1281","","","","","","1.105","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019306","13.166","0.003","6.8812","0.0014","11.958","0.002","90","","90","","90","","1083.4","0.4","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","2-Dichloromethyl-3-methyl-1,4-naphthalenedione","2-Dichloromethyl-3-methyl-1,4-dihydronaphthalene-1,4-dione","","- C12 H8 Cl2 O2 -","- C12 H8 Cl2 O2 -","- C48 H32 Cl8 O8 -","4","0.5","KY3044","Soave, Raffaella; Colombo, Pietro","Intermolecular C—H···O, Cl···Cl and π‒π interactions in the 2-dichloromethyl derivative of vitamin K~3~","Acta Crystallographica Section C","2013","69","12","1563","1566","10.1107/S010827011303196X","","","0.71073","MoKα","","0.1114","0.0481","","","0.1164","0.1612","","","","","","1.044","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019339","10.679","0.003","6.618","0.004","6.978","0.004","90","","90","","90","","493.2","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Potassium Molybdylarsenate","","- As K Mo O6 -","- As K Mo O6 -","- As4 K4 Mo4 O24 -","4","0.5","","Zid, M. F.; Jouini, T.","KMoO2AsO4","Acta Crystallographica Section C Crystal Structure Communications","1996","52","1","3","","10.1107/S0108270195010572","","","0.71069","MoKα","","0.0267","0.024","","0.0713","0.0693","","","","1.108","1.139","1.139","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019389","13.8664","0.0007","6.4623","0.0003","11.3634","0.0006","90","","90","","90","","1018.26","0.09","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,3-Dimethyl-2,6-dioxo-7<i>H</i>-purin-9-ium chloride","","- C7 H11 Cl N4 O3 -","- C7 H11 Cl N4 O3 -","- C28 H44 Cl4 N16 O12 -","4","0.5","GZ3251","Buist, Amanda R.; Kennedy, Alan R.; Manzie, Craig","Four salt phases of theophylline","Acta Crystallographica Section C","2014","70","2","220","224","10.1107/S2053229614000825","","","1.5418","CuKα","","0.0293","0.029","","","0.081","0.0813","","","","","","1.117","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019390","14.012","0.0005","6.6151","0.0003","11.5297","0.0004","90","","90","","90","","1068.7","0.07","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,3-Dimethyl-2,6-dioxo-7<i>H</i>-purin-9-ium chloride monohydrate","","- C7 H11 Br N4 O3 -","- C7 H11 Br N4 O3 -","- C28 H44 Br4 N16 O12 -","4","0.5","GZ3251","Buist, Amanda R.; Kennedy, Alan R.; Manzie, Craig","Four salt phases of theophylline","Acta Crystallographica Section C","2014","70","2","220","224","10.1107/S2053229614000825","","","0.71073","MoKα","","0.0314","0.0251","","","0.0553","0.0577","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019401","30.712","0.006","16.82","0.003","10.588","0.002","90","","90","","90","","5469.5","1.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tetrakis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')di-μ~2~-carbonato-κ^4^<i>O</i>:<i>O</i>'-tetra-μ~3~-oxido-tetracobalt(III) pentadecahydrate","","- C42 H62 Co4 N8 O25 -","- C42 H58 Co4 N8 O25 -","- C168 H232 Co16 N32 O100 -","4","0.5","BG3165","Qi, Ji; Zhai, Xiang-Sheng; Zhu, Hong-Lin; Lin, Jian-Li","A two-dimensional hydrogen-bonded water layer in the structure of a cobalt(III) cubane complex","Acta Crystallographica Section C","2014","70","2","198","201","10.1107/S2053229614001107","","","0.71073","MoKα","","0.0677","0.0424","","","0.1061","0.1188","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019419","7.039","0.002","15.838","0.005","28.799","0.009","90","","90","","90","","3210.6","1.7","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","(2,5-Bis{2-methyl-5-[2-(pyridin-3-yl-κ<i>N</i>)ethenyl]phenyl}-1,3,4-oxadiazole)diiodidocadmium(II) dichloromethane monosolvate","","- C31 H22 Cd Cl2 I2 N4 O -","- C31 H22 Cd Cl2 I2 N4 O -","- C124 H88 Cd4 Cl8 I8 N16 O4 -","4","0.5","BG3166","Liu, Zhao-Cai; Liu, Qi-Kui; Li, Yan-An; Ma, Jian-Ping; Dong, Yu-Bin","`0'- and `8'-shaped complexes generated from a nano-sized oxadiazole-containing organic ligand with CdI~2~ and CuI","Acta Crystallographica Section C","2014","70","1","31","36","10.1107/S2053229613031719","","","0.71073","MoKα","","0.0665","0.0482","","","0.1373","0.1587","","","","","","1.151","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019679","7.6371","0.0002","19.0042","0.0006","5.67758","0.00014","90","","90","","90","","824.03","0.04","100","0.1","100","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","","9<i>H</i>-carbazole","","- C12 H9 N -","- C12 H9 N -","- C48 H36 N4 -","4","0.5","KY3061","Gajda, Katarzyna; Zarychta, Bartosz; Kopka, Katarzyna; Daszkiewicz, Zdzisław; Ejsmont, Krzysztof","Substituent effects in nitro derivatives of carbazoles investigated by comparison of low-temperature crystallographic studies with density functional theory (DFT) calculations","Acta Crystallographica Section C","2014","70","10","987","991","10.1107/S2053229614020634","","","0.71073","MoKα","","0.0385","0.0327","","","0.0898","0.0929","","","","","","1.077","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019691","12.736","0.003","20.481","0.004","10.038","0.002","90","","90","","90","","2618.4","1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","1-ethyl-3-methylimidazolium heptabromidopentacupprate(I)","<i>catena</i>-Poly[bis(1-ethyl-3-methylimidazolium) [μ~5~-bromido-tri-μ~3~-bromido-tri-μ~2~-bromido-pentacuprate(I)]]","","- C12 H22 Br7 Cu5 N4 -","- C12 H22 Br7 Cu5 N4 -","- C48 H88 Br28 Cu20 N16 -","4","0.5","BG3188","Karanović, Ljiljana; Poleti, Dejan; Dordević, Tamara","Ionothermal synthesis and crystal structure of a new organic‒inorganic hybrid compound: <i>catena</i>-poly[bis(1-ethyl-3-methylimidazolium) [hepta-μ-bromido-pentacuprate(I)]]","Acta Crystallographica Section C","2014","70","11","1021","1024","10.1107/S205322961402172X","","","0.71073","MoKα","","0.0555","0.0317","","","0.061","0.0691","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019724","7.5599","0.0004","13.9247","0.0007","12.2049","0.0005","90","","90","","90","","1284.8","0.11","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","[bis(pyridin-2-yl-κ<i>N</i>)amine]tetrachloridoplatinum(IV)","","- C10 H9 Cl4 N3 Pt -","- C10 H9 Cl4 N3 Pt -","- C40 H36 Cl16 N12 Pt4 -","4","0.5","DT3029","Chernyshev, Alexander N.; Kukushkin, Vadim Yu.; Haukka, Matti","Two complexes of Pt^IV^ and Au^III^ with 2,2'-dipyridylamine and 2,2'-dipyridylaminide ligands","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614021548","","","0.71073","MoKα","","0.0316","0.0259","","","0.0534","0.0561","","","","","","1.119","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019738","9.0897","0.0007","18.6342","0.0015","12.2598","0.0008","90","","90","","90","","2076.6","0.3","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>N</i>,<i>N</i>',<i>N</i>''-Tricyclohexylphosphorothioic triamide","","- C18 H36 N3 P S -","- C18 H36 N3 P S -","- C72 H144 N12 P4 S4 -","4","0.5","","Pourayoubi, Mehrdad; Abrishami, Mozhgan; Eigner, Václav; Nečas, Marek; Dušek, Michal; Delavar, Mahmoud","Two new thiophosphoramide structures: <i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphorothioic triamide and <i>O</i>,<i>O</i>'-diethyl (2-phenylhydrazin-1-yl)thiophosphonate","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614022608","","","0.71073","MoKα","","0.0723","0.0463","","","0.1134","0.1304","","","","","","1.8","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019774","26.173","0.003","6.3586","0.0007","8.1089","0.0008","90","","90","","90","","1349.5","0.3","147","2","147","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-Amino-3-hydroxypyridinium dioxido(pyridine-2,6-dicarboxylato-\ κ^2^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)vanadate(V)","","- C12 H10 N3 O7 V -","- C12 H10 N3 O7 V -","- C48 H40 N12 O28 V4 -","4","0.5","WQ3079","Hejrani-Dalir, Ali; Tabatabaee, Masumeh; Sheibani, Ali","Synthesis and crystal structure of 2-amino-3-hydroxypyridinium dioxido(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)vanadate(V) and its conversion to nanostructured V~2~O~5~","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027983","","","0.71073","MoKα","","0.0374","0.0347","","","0.082","0.0832","","","","","","1.178","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019877","6.9996","0.0008","19.223","0.002","17.143","0.002","90","","90","","90","","2306.6","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","6-Methyl-2-thiouracil‒2,4-diaminopyrimidine (1/1)","","- C9 H12 N6 O S -","- C9 H12 N6 O S -","- C72 H96 N48 O8 S8 -","8","1","","Hützler, Wilhelm Maximilian; Egert, Ernst","Cocrystals of 6-methyl-2-thiouracil: presence of the acceptor‒donor‒acceptor/donor‒acceptor‒donor synthon","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002867","","","0.71073","MoKα","","0.11","0.0522","","","0.0951","0.1113","","","","","","0.928","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019948","16.667","0.003","6.48","0.001","10.241","0.002","90","","90","","90","","1106.1","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ethyl <i>N</i>-(2-acetylphenyl)oxalamate","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","0.5","UK3109","Cabrera-Pérez, Laura C.; García-Báez, Efrén V.; Franco-Hernández, Marina O.; Martínez-Martínez, Francisco J.; Padilla-Martínez, Itzia I.","Carbonyl‒carbonyl interactions and amide π-stacking as the directing motifs of the supramolecular assembly of ethyl <i>N</i>-(2-acetylphenyl)oxalamate in a synperiplanar conformation","Acta Crystallographica Section C","2015","71","5","381","385","10.1107/S2053229615006725","","","0.71073","MoKα","","0.0368","0.0323","","","0.0802","0.0833","","","","","","1.046","","","","has coordinates,has Fobs","136368","2020-10-21","18:00:00",""
"2019997","12.4953","0.001","10.8683","0.0008","6.8075","0.0005","90","","90","","90","","924.48","0.12","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Tetragadolinium bis[tetraoxidosilicate(IV)] oxide telluride","","- Gd4 O9 Si2 Te -","- Gd4 O9 Si2 Te -","- Gd16 O36 Si8 Te4 -","4","0.5","FP3011","Daszkiewicz, Marek; Gulay, Lubomir D.","Accidental formation of Gd~4~(SiO~4~)~2~OTe: crystal structure and spectroscopic properties","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011651","","","0.71073","MoKα","","0.0293","0.0199","","","0.0363","0.0385","","","","","","1.1","","","","has coordinates,has Fobs","139464","2020-10-21","18:00:00",""
"2020033","14.146","","4.286","","5.702","","90","","90","","90","","345.711","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ni Th -","- Ni Th -","- Ni8 Th8 -","8","1","","Fornasini, M.L.","Structural redetermination of the Th Ni phase","Acta Crystallographica C (39,1983-)","1983","39","","946","947","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020048","14.883","","12.447","","12.56","","90","","90","","90","","2326.72","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Mn2.99 Al9.677","","- Al9.677 Mn2.99 -","- Al9.67667 Mn2.99 -","- Al116.12 Mn35.88 -","12","1.5","","Pavlyuk, V.V.; Gladyshevskii, R.E.; Yanson, T.I.; Bodak, O.; Cerny, R.; Yvon K.; Stepen'-Damm, Yu.","Structure refinement of orthorhombic Mn Al3","Acta Crystallographica C (39,1983-)","1995","51","","792","794","","","","","","","","","","","","","","","","","","","","","","has coordinates","151480","2020-10-21","18:00:00",""
"2020134","5.875","","3.565","","6.781","","90","","90","","90","","142.024","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Yb D2","","- D2 Yb -","- D2 Yb -","- D8 Yb4 -","4","0.5","","Lebech, B.; Andersen, N.H.; Steenstrup, S.; Schroder Pedersen, A.","Neutron diffraction studies of ytterbium dihydride: The crystal structure at 300 K","Acta Crystallographica C (39,1983-)","1983","39","","1475","1480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020140","9.2636","","7.2859","","12.7193","","90","","90","","90","","858.472","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb2 (Zn Cl4)","","- Cl4 Rb2 Zn -","- Cl4 Rb2 Zn -","- Cl16 Rb8 Zn4 -","4","0.5","","Secco, A.S.; Trotter, J.","Structure of Rubidium Tetrachlorozincate(II), Rb2 (Zn Cl4)","Acta Crystallographica C (39,1983-)","1983","39","","317","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020152","10.78","","4.03","","19.95","","90","","90","","90","","866.696","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ga La3 O S5 -","- Ga La3 O S5 -","- Ga4 La12 O4 S20 -","4","0.5","","Jaulmes, S.; Guittard, M.; Mazurier, A.","Structure de l'Oxypentasulfur de Gallium et de Trilanthane, Ga La3 O S5","Acta Crystallographica C (39,1983-)","1983","39","","1594","1597","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020173","19.283","","11.48","","8.106","","90","","90","","90","","1794.42","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K3 (Pt (B7 O11 (O H)5) (O H) ) (H2 O)3","","- B7 H12 K3 O20 Pt -","- B7 K3 O20 Pt -","- B28 K12 O80 Pt4 -","4","0.5","","Behm, H.","Structure of tripotassium monohydroxo(pentahydroxoundecaoxo heptaborato) platinate(IV) trihydrate","Acta Crystallographica C (39,1983-)","1988","44","","1348","1351","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020235","31.68","","3.972","","11.659","","90","","90","","90","","1467.09","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Bi4 Cu4 S9)4.23","","- Bi15.68 Cu16 S36 -","- Bi15.68 Cu16 S36 -","- Bi15.68 Cu16 S36 -","1","0.125","","Bente, K.; Kupcik, V.","Redetermination and refinement of the structure of tetrabismuth tetracopper enneasulphide, Cu4 Bi4 S9","Acta Crystallographica C (39,1983-)","1984","40","","1985","1986","","","","","","","","","","","","","","","","","","","","","","has coordinates","168700","2020-10-21","18:00:00",""
"2020245","12.688","","7.429","","5.942","","90","","90","","90","","560.088","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mn2 (Si S4)","","- Mn2 S4 Si -","- Mn2 S4 Si -","- Mn8 S16 Si4 -","4","0.5","","Fuhrmann, J.; Pickardt, J.","Structure of Mn2 Si S4","Acta Crystallographica C (39,1983-)","1989","45","","1808","1809","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020270","12.4316","","3.1581","","20.4468","","90","","90","","90","","802.746","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Mo4 P3 -","- Mo4 P3 -","- Mo32 P24 -","8","1","","Leclaire, A.; Borel, M.M.; Grandin, A.; Raveau, B.","Redetermination of the crystal structure of Mo4 P3","Acta Crystallographica C (39,1983-)","1989","45","","540","542","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020347","9.139","","3.694","","13.875","","90","","90","","90","","468.413","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sn Hf S3","","- Hf S3 Sn -","- Hf S3 Sn -","- Hf4 S12 Sn4 -","4","0.5","","Wiegers, G.A.; Meetsma, A.; Haange, R.J.; de Boer, J.L.","Structure of tin hafnium sulfide and lead hafnium sulfide","Acta Crystallographica C (39,1983-)","1989","45","","847","849","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020348","8.988","","3.739","","13.924","","90","","90","","90","","467.932","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pb Hf S3","","- Hf Pb S3 -","- Hf Pb S3 -","- Hf4 Pb4 S12 -","4","0.5","","Wiegers, G.A.; Meetsma, A.; Haange, R.J.; de Boer, J.L.","Structure of tin hafnium sulfide and lead hafnium sulfide","Acta Crystallographica C (39,1983-)","1989","45","","847","849","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020358","11.886","","11.644","","6.1888","","90","","90","","90","","856.534","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Re (C O)5 Br)","","- C5 Br O5 Re -","- C5 Br O5 Re -","- C20 Br4 O20 Re4 -","4","0.5","","Porter, L.C.; Reid, A.H.; Fackler, J.P.jr.","Structure of bromopentacarbonylrhenium(I)","Acta Crystallographica C (39,1983-)","1992","48","","908","909","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020365","11.38","","9.281","","11.714","","90","","90","","90","","1237.21","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Tl2 S3 N3) (S4 N5)","","- N8 S7 Tl2 -","- N8 S7 Tl2 -","- N32 S28 Tl8 -","4","0.5","","Martan, H.; Weiss, J.","Dithalliumtrischwefeltrinitrid-tetraschwefelpentanitrid, Tl2 S7 N8","Acta Crystallographica C (39,1983-)","1983","39","","959","960","","","","","","","","","","","","","","","","","","","","","","has coordinates","172479","2020-10-21","18:00:00",""
"2020367","10.609","","3.864","","10.429","","90","","90","","90","","427.518","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Dy2 S3 -","- Dy2 S3 -","- Dy8 S12 -","4","0.5","","Meetsma, A.; Wiegers, G.A.; Haange, R.J.; de Boer, J.L.; Boom, G.","Structure of two modifications of dysprosium sesquisulfide, Dy2S3","Acta Crystallographica C (39,1983-)","1991","47","","2287","2291","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020436","12.0347","0.0018","14.806","0.002","10.2883","0.0017","90","","90","","90","","1833.2","0.5","147","2","147","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cl-BsubPc","Chlorido(subphthalocyaninato)boron","","- C24 H12 B Cl N6 -","- C24 H12 B Cl N6 -","- C96 H48 B4 Cl4 N24 -","4","0.5","FM3033","Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.","Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation","Acta Crystallographica Section C","2016","72","4","297","307","10.1107/S2053229616003491","","","0.71073","MoKα","","0.0339","0.0303","","","0.081","0.0841","","","","","","1.061","","","","has coordinates,has Fobs","182544","2020-10-21","18:00:00",""
"2020437","12.0156","0.0013","14.8099","0.0016","10.242","0.0011","90","","90","","90","","1822.6","0.3","90","2","90","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cl-BsubPc","Chlorido(subphthalocyaninato)boron","","- C24 H12 B Cl N6 -","- C24 H12 B Cl N6 -","- C96 H48 B4 Cl4 N24 -","4","0.5","FM3033","Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.","Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation","Acta Crystallographica Section C","2016","72","4","297","307","10.1107/S2053229616003491","","","0.71073","MoKα","","0.0497","0.0321","","","0.0731","0.0815","","","","","","1.021","","","","has coordinates,has Fobs","182544","2020-10-21","18:00:00",""
"2020438","11.9993","0.0015","14.7761","0.0014","10.242","0.0013","90","","90","","90","","1815.9","0.4","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cl-BsubPc","Chlorido(subphthalocyaninato)boron","","- C24 H12 B Cl N6 -","- C24 H12 B Cl N6 -","- C96 H48 B4 Cl4 N24 -","4","0.5","FM3033","Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.","Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation","Acta Crystallographica Section C","2016","72","4","297","307","10.1107/S2053229616003491","","","0.71073","MoKα","","0.0739","0.0425","","","0.0843","0.0964","","","","","","1.009","","","","has coordinates,has Fobs","182544","2020-10-21","18:00:00",""
"2020439","12.0187","0.001","14.798","0.0013","10.2632","0.0008","90","","90","","90","","1825.3","0.3","147","2","147","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cl-BsubPc","Chlorido(subphthalocyaninato)boron","","- C24 H12 B Cl N6 -","- C24 H12 B Cl N6 -","- C96 H48 B4 Cl4 N24 -","4","0.5","FM3033","Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.","Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation","Acta Crystallographica Section C","2016","72","4","297","307","10.1107/S2053229616003491","","","0.71073","MoKα","","0.0706","0.0409","","","0.0829","0.0935","","","","","","1.012","","","","has coordinates,has Fobs","182544","2020-10-21","18:00:00",""
"2020440","12.0634","0.0009","14.8634","0.0011","10.3901","0.0006","90","","90","","90","","1863","0.2","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cl-BsubPc","Chlorido(subphthalocyaninato)boron","","- C24 H12 B Cl N6 -","- C24 H12 B Cl N6 -","- C96 H48 B4 Cl4 N24 -","4","0.5","FM3033","Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.","Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation","Acta Crystallographica Section C","2016","72","4","297","307","10.1107/S2053229616003491","","","0.71073","MoKα","","0.067","0.0401","","","0.0846","0.096","","","","","","1","","","","has coordinates,has Fobs","182544","2020-10-21","18:00:00",""
"2020524","7.379","0.004","5.64","0.002","11.413","0.007","90","","90","","90","","475","0.4","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F3 K2 O2 V -","- F3 K2 O2 V -","- F12 K8 O8 V4 -","4","0.5","","Ryan, R. R.; Mastin, S. H.; Reisfeld, M. J.","The crystal structure of K2VO2F3, a nonlinear dioxovanadium(V) group","Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry","1971","27","6","1270","1274","10.1107/s0567740871003844","","","","MoKα","","0.0258","","","0.0198","","","","","","","","","","","","has coordinates","183477","2020-10-21","18:00:00",""
"2020703","18.7651","0.001","6.9193","0.0004","17.259","0.001","90","","90","","90","","2240.9","0.2","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","(<i>E</i>)-2,6-Di-<i>tert</i>-butyl-4-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}phenol","","- C21 H26 N4 O5 -","- C21 H26 N4 O5 -","- C84 H104 N16 O20 -","4","0.5","","Faizi, Md. Serajul Haque; Dege, Necmi; Haque, Ashanul; Kalibabchuk, Valentina A.; Cemberci, Mustafa","Crystal structure of (E)-2,6-di-tert-butyl-4-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}phenol","Acta Crystallographica Section E Crystallographic Communications","2017","73","2","96","","10.1107/S2056989016020107","","","0.71073","MoKα","","0.1842","0.0712","","","0.1633","0.2146","","","","","","0.963","","","","has coordinates,has Fobs","189993","2020-10-21","18:00:00",""
"2020938","12.3459","0.0006","15.9301","0.0008","14.7454","0.0007","90","","90","","90","","2900","0.2","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Poly[[hexa-μ~2~-cyanido-κ^12^<i>C</i>:<i>N</i>-pentakis(μ~3~-tetrazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)cobalt(III)tetracopper(II)] monohydrate]","","- C11 H7 Co Cu4 N26 O -","- C11 H5 Co Cu4 N26 -","- C44 H20 Co4 Cu16 N104 -","4","0.5","LF3061","Qin, Ying-Lian; Qin, Jian-Fang; Sun, Hong","A novel tetrazolate- and cyanide-bridged three-dimensional heterometallic coordination polymer: crystal structure, thermal stability and magnetic properties","Acta Crystallographica Section C","2017","73","11","968","974","10.1107/S2053229617014760","","","0.71073","MoKα","","0.0709","0.0548","","","0.1628","0.1762","","","","","","1.12","","","","has coordinates,has Fobs","205323","2020-10-21","18:00:00",""
"2021100","6.2115","0.0019","3.715","0.0011","7.172","0.002","90","","90","","90","","165.5","0.08","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Niobium nickel arsenide","","- As Nb0.92 Ni -","- As Nb0.916 Ni -","- As4 Nb3.664 Ni4 -","4","0.5","LY3065","Baranets, Sviatoslav; He, Hua; Bobev, Svilen","Niobium-bearing arsenides and germanides from elemental mixtures not involving niobium: a new twist to an old problem in solid-state synthesis","Acta Crystallographica Section C","2018","74","5","623","627","10.1107/S2053229618005739","","","0.71073","MoKα","","0.0225","0.0194","","","0.0369","0.0378","","","","","","0.9","","","","has coordinates,has Fobs","207535","2020-10-21","18:00:00",""
"2021101","6.2656","0.0015","3.7273","0.0009","7.1589","0.0017","90","","90","","90","","167.19","0.07","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Niobium cobalt arsenide","","- As Co Nb -","- As Co Nb -","- As4 Co4 Nb4 -","4","0.5","LY3065","Baranets, Sviatoslav; He, Hua; Bobev, Svilen","Niobium-bearing arsenides and germanides from elemental mixtures not involving niobium: a new twist to an old problem in solid-state synthesis","Acta Crystallographica Section C","2018","74","5","623","627","10.1107/S2053229618005739","","","0.71073","MoKα","","0.0215","0.0209","","","0.0509","0.0513","","","","","","1.051","","","","has coordinates,has Fobs","207535","2020-10-21","18:00:00",""
"2021102","6.2989","0.0008","3.7613","0.0004","7.2033","0.0008","90","","90","","90","","170.66","0.03","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Niobium nickel germanide","","- Ge Nb Ni -","- Ge Nb Ni -","- Ge4 Nb4 Ni4 -","4","0.5","LY3065","Baranets, Sviatoslav; He, Hua; Bobev, Svilen","Niobium-bearing arsenides and germanides from elemental mixtures not involving niobium: a new twist to an old problem in solid-state synthesis","Acta Crystallographica Section C","2018","74","5","623","627","10.1107/S2053229618005739","","","0.71073","MoKα","","0.0251","0.0234","","","0.0581","0.0588","","","","","","1.331","","","","has coordinates,has Fobs","207535","2020-10-21","18:00:00",""
"2021611","10.3288","0.0002","3.96271","0.00007","12.9397","0.0002","90","","90","","90","","529.622","0.016","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Strontium gadolinium copper trisulfide","","- Cu Gd S3 Sr -","- Cu Gd S3 Sr -","- Cu4 Gd4 S12 Sr4 -","4","0.5","LG3238","Ruseikina, Anna V.; Solovyov, Leonid A.; Grigoriev, Maksim V.; Andreev, Oleg V.","Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm, Gd, Er and Lu)","Acta Crystallographica Section C","2019","75","5","584","588","10.1107/S2053229619004984","powder diffraction","x-ray","1.5418","CuKα","","0.02183","","","","","","","","2.76254","","","","","","","has coordinates,has Fobs","215665","2020-10-21","18:00:00",""
"2021613","10.4285","0.0002","3.9864","0.00007","12.9325","0.0002","90","","90","","90","","537.632","0.016","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Strontium samarium copper trisulfide","","- Cu S3 Sm Sr -","- Cu S3 Sm Sr -","- Cu4 S12 Sm4 Sr4 -","4","0.5","LG3238","Ruseikina, Anna V.; Solovyov, Leonid A.; Grigoriev, Maksim V.; Andreev, Oleg V.","Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm, Gd, Er and Lu)","Acta Crystallographica Section C","2019","75","5","584","588","10.1107/S2053229619004984","powder diffraction","x-ray","1.5418","CuKα","","0.0209","","","","","","","","2.57424","","","","","","","has coordinates,has Fobs","215665","2020-10-21","18:00:00",""
"2022104","12.8308","0.0006","21.3307","0.0012","4.6463","0.0002","90","","90","","90","","1271.65","0.11","180","2","180","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2,3,5,6-Tetrafluoro-1,4-diiodobenzene dimethyl sulfoxide","","- C8 H6 F4 I2 O S -","- C8 H6 F4 I2 O S -","- C32 H24 F16 I8 O4 S4 -","4","0.5","SK3750","Bond, Andrew D.; Truscott, Chris L.","Polymorphism and phase transformation in the dimethyl sulfoxide solvate of 2,3,5,6-tetrafluoro-1,4-diiodobenzene","Acta Crystallographica Section C","2020","76","5","524","529","10.1107/S2053229620005690","","","0.71073","MoKα","","0.0637","0.0333","","","0.0747","0.0862","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","251353","2020-10-21","18:00:00",""
"2022106","11.6799","0.0004","18.2664","0.0008","6.0984","0.0002","90","","90","","90","","1301.09","0.08","220","2","220","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2,3,5,6-Tetrafluoro-1,4-diiodobenzene dimethyl sulfoxide","","- C8 H6 F4 I2 O S -","- C7.9982 H5.9952 F4 I2 O0.999 S0.9992 -","- C31.9928 H23.9808 F16 I8 O3.996 S3.9968 -","4","0.5","SK3750","Bond, Andrew D.; Truscott, Chris L.","Polymorphism and phase transformation in the dimethyl sulfoxide solvate of 2,3,5,6-tetrafluoro-1,4-diiodobenzene","Acta Crystallographica Section C","2020","76","5","524","529","10.1107/S2053229620005690","","","0.71073","MoKα","","0.0734","0.0382","","","0.0708","0.0824","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","251353","2020-10-21","18:00:00",""
"2022134","14.4984","0.0018","6.722","0.002","8.113","0.007","90","","90","","90","","790.7","0.7","120","","120","","","","","","","","","5","P n m a","-P 2ac 2n","62","4,6-Dimethyl-2-pyrimidonium bromide","4,6-Dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium bromide","","- C6 H9 Br N2 O -","- C6 H9 Br N2 O -","- C24 H36 Br4 N8 O4 -","4","0.5","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.035","0.0312","","","0.0919","0.0963","","","","","","1.088","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022573","12.4158","0.0006","12.7108","0.0009","18.3698","0.0007","90","","90","","90","","2899","0.3","240","","240","","","","","","","","","5","P n m a","-P 2ac 2n","62","Dicalcium barium hexakis(propanoate)","Poly[hexa-μ-propanoato-bariumdicalcium]","","- C18 H30 Ba Ca2 O12 -","- C18 H30 Ba Ca2 O12 -","- C72 H120 Ba4 Ca8 O48 -","4","0.5","JX3066","Fábry, Jan; Dušek, Michal","Low-temperature phases of dicalcium barium hexakis(propanoate)","Acta Crystallographica Section C","2021","77","11","683","690","10.1107/S205322962101024X","","x-ray","0.71073","MoKα","","0.0525","0.0383","","","0.0748","0.0772","","","","2.35","2.35","2.22","","","","has coordinates,has Fobs","273081","2022-02-22","02:58:33",""
"2022658","8.8572","0.0004","27.3614","0.0011","7.8306","0.0004","90","","90","","90","","1897.71","0.15","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","<i>DL</i>-Norvalinium hydrogen maleate–<i>DL</i>-norvaline (1/1)","","- C14 H26 N2 O8 -","- C14 H26 N2 O8 -","- C56 H104 N8 O32 -","4","0.5","SK3642","Arkhipov, Sergey G.; Losev, Evgeniy A.; Boldyreva, Elena V.","New 1:1 and 2:1 salts in the 'DL-norvaline–maleic acid' system as an example of assembling various crystal structures from similar supramolecular building blocks","Acta Crystallographica, Section C: Structural Chemistry","2017","73","1","13","19","10.1107/s2053229616018271","","x-ray","0.71073","MoKα","","0.0885","0.0792","","","0.1419","0.1455","","","","","","1.141","","","","has coordinates,has disorder,has Fobs","277497","2022-08-31","14:18:30",""
"2022660","11.205","0.019","6.687","0.011","8.373","0.015","90","","90","","90","","627.4","1.9","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Compound 1 (s20_07)","1,3,5-Trimethyl-1<i>H</i>-pyrazole","","- C6 H10 N2 -","- C6 H10 N2 -","- C24 H40 N8 -","4","0.5","DJ2050","van Terwingen, Steven; Englert, Ulli","Trimethylpyrazole: a simple heterocycle reflecting Kitaigorodskii's packing principle","Acta Crystallographica Section E Crystallographic Communications","2022","78","10","","","10.1107/S205698902200860X","","","0.71073","MoKα","","0.0907","0.0467","","","0.1095","0.1192","","","","","","0.873","","","","has coordinates,has Fobs","277611","2022-09-03","02:01:49",""
"2022689","9.7906","0.0005","9.6859","0.0005","9.8673","0.0005","90","","90","","90","","935.72","0.08","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","2,4,6-Trimethylpyrylium tetrafluoroborate","","- C8 H11 B F4 O -","- C8 H11 B F4 O -","- C32 H44 B4 F16 O4 -","4","0.5","QZ3001","Mandal, Koushik; Sarkar, Sounak; Ghosh, Peuli; Hathwar, Venkatesha R.; Chopra, Deepak","Quantitative insights into noncovalent interactions involving halogen and tetrel bonds in 2,4,6-trimethylpyrylium tetrafluoroborate","Acta Crystallographica Section C","2022","78","11","","","10.1107/S2053229622009469","","","0.71073","MoKα","","0.0417","0.0354","","","0.0854","0.0896","","","","","","1.05","","","","has coordinates,has Fobs","278874","2022-10-29","12:06:47",""
"2022794","17.1868","0.0013","7.1278","0.0005","11.4447","0.0008","90","","90","","90","","1402.02","0.17","297","2","297.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Pentaaqua(3,5-dimethylpyridine-κ<i>N</i>)manganese(II) sulfate","","- C7 H19 Mn N O9 S -","- C7 H19 Mn N O9 S -","- C28 H76 Mn4 N4 O36 S4 -","4","0.5","ZV2026","Golen, James A.; Manke, David R.","3,5-Lutidine pentaaqua sulfate complexes of first-row transition metals: [M(3,5-lutidine)(H2O)5]SO4, with M = Mn, Co, Ni, and Zn","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023005261","","","0.71073","MoKα","","0.0403","0.0321","","","0.0764","0.0808","","","","","","1.113","","","","has coordinates,has disorder,has Fobs","284695","2023-06-29","15:51:18",""
"2022795","17.1238","0.001","7.1064","0.0004","11.2576","0.0006","90","","90","","90","","1369.92","0.13","297","2","297.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Pentaaqua(3,5-dimethylpyridine-κ<i>N</i>)cobalt(II) sulfate","","- C7 H19 Co N O9 S -","- C7 H19 Co N O9 S -","- C28 H76 Co4 N4 O36 S4 -","4","0.5","","Golen, James A.; Manke, David R.","3,5-Lutidine pentaaqua sulfate complexes of first-row transition metals: [M(3,5-lutidine)(H2O)5]SO4, with M = Mn, Co, Ni, and Zn","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023005261","","","0.71073","MoKα","","0.0349","0.0275","","","0.0654","0.0694","","","","","","1.115","","","","has coordinates,has disorder,has Fobs","284695","2023-06-29","15:51:24",""
"2022796","17.1196","0.0008","7.0609","0.0003","11.2233","0.0005","90","","90","","90","","1356.67","0.1","297","2","297.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Pentaaqua(3,5-dimethylpyridine-κ<i>N</i>)nickel(II) sulfate","","- C7 H19 N Ni O9 S -","- C7 H19 N Ni O9 S -","- C28 H76 N4 Ni4 O36 S4 -","4","0.5","","Golen, James A.; Manke, David R.","3,5-Lutidine pentaaqua sulfate complexes of first-row transition metals: [M(3,5-lutidine)(H2O)5]SO4, with M = Mn, Co, Ni, and Zn","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023005261","","","0.71073","MoKα","","0.0262","0.0228","","","0.0577","0.0595","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","284695","2023-06-29","15:51:36",""
"2022797","17.1312","0.0008","7.0826","0.0003","11.2879","0.0005","90","","90","","90","","1369.6","0.11","297","2","297.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Pentaaqua(3,5-dimethylpyridine-κ<i>N</i>)zinc(II) sulfate","","- C7 H19 N O9 S Zn -","- C7 H19 N O9 S Zn -","- C28 H76 N4 O36 S4 Zn4 -","4","0.5","","Golen, James A.; Manke, David R.","3,5-Lutidine pentaaqua sulfate complexes of first-row transition metals: [M(3,5-lutidine)(H2O)5]SO4, with M = Mn, Co, Ni, and Zn","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023005261","","","0.71073","MoKα","","0.0238","0.0214","","","0.0543","0.0556","","","","","","1.121","","","","has coordinates,has disorder,has Fobs","284695","2023-06-29","15:51:53",""
"2022842","15.4317","0.0003","17.2945","0.0003","7.98733","0.00015","90","","90","","90","","2131.69","0.07","199.95","0.1","199.95","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","(1,4,8,11-Tetraazacyclotetradecane-κ^4^<i>N</i>)nickel(II) tetraiodidocadmate(II)","","- C10 H24 Cd I4 N4 Ni -","- C10 H24 Cd I4 N4 Ni -","- C40 H96 Cd4 I16 N16 Ni4 -","4","0.5","EX2074","Andriichuk, Irina L.; Shova, Sergiu; Lampeka, Yaroslaw D.","Crystal structures of the complexes containing macrocyclic cations [M(cyclam)]2+ (M = Ni, Zn) and tetraiodidocadmate(2–) anion","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023007004","","x-ray","0.71073","MoKα","","0.0429","0.0314","","","0.0586","0.0636","","","","","","1.062","","","","has coordinates,has Fobs","285855","2023-08-24","01:44:15",""
"2022843","15.6013","0.0003","17.2644","0.0003","8.1099","0.0002","90","","90","","90","","2184.38","0.08","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Triiodido-1κ^3^<i>I</i>-μ-iodido-(1,4,8,11-tetraazacyclotetradecane-2κ^4^<i>N</i>)cadmium(II)zinc(II)","","- C10 H24 Cd I4 N4 Zn -","- C10 H24 Cd I4 N4 Zn -","- C40 H96 Cd4 I16 N16 Zn4 -","4","0.5","EX2074","Andriichuk, Irina L.; Shova, Sergiu; Lampeka, Yaroslaw D.","Crystal structures of the complexes containing macrocyclic cations [M(cyclam)]2+ (M = Ni, Zn) and tetraiodidocadmate(2–) anion","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023007004","","x-ray","0.71073","MoKα","","0.0445","0.0323","","","0.0597","0.0648","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","285855","2023-08-24","01:44:16",""
"2023086","9.9871","0.0005","7.1505","0.0004","15.716","0.0008","90","","90","","90","","1122.32","0.1","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tribromido(4-methylpiperidine)gold(III)","","- C6 H13 Au Br3 N -","- C6 H13 Au Br3 N -","- C24 H52 Au4 Br12 N4 -","4","0.5","PK2705","Döring, Cindy; Jones, Peter G.","Crystal structures of trichlorido(4-methylpiperidine)gold(III) and two polymorphs of tribromido(4-methylpiperidine)gold(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002822","","","0.71073","MoKα","","0.0422","0.0295","","","0.0472","0.0504","","","","","","1.11","","","","has coordinates","291289","2024-04-19","04:39:38",""
"2100430","13.8572","0.0008","12.8086","0.0011","6.0801","0.0005","90","","90","","90","","1079.17","0.14","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Hexachlorocyclotriphosphazene","","- Cl6 N3 P3 -","- Cl6 N3 P3 -","- Cl24 N12 P12 -","4","0.5","DE5025","Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker","Structural investigations of phosphorus‒nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~<i>n</i>)}(NHBu^<i>t^</i>)~<i>n~</i> derivatives","Acta Crystallographica Section B","2006","62","2","321","329","10.1107/S0108768106000851","","","0.71073","MoKα","","0.03","0.0275","","","0.0709","0.0735","","","","","","1.261","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100868","14.582","0.001","12.321","0.001","12.363","0.001","90","","90","","90","","2221.2","0.3","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Al61 Cr17 Cu7 Fe11 Si3 -","- Al23 Cr10 Cu6 -","- Al92 Cr40 Cu24 -","4","0.5","CR0395","Kang, S. S.; Malaman, B.; Venturini, G.; Dubois, J. M.","Structure of the quasicystal-approximant phase Al~61.3~Cu~7.4~Fe~11.1~Cr~17.2~Si~3~","Acta Crystallographica Section B","1992","48","6","770","776","10.1107/S0108768192005226","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2100876","12.188","0.002","5.662","0.002","7.132","0.002","90","","90","","90","","492.2","0.2","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Cu O5 Y2 -","- Ba Cu O5 Y2 -","- Ba4 Cu4 O20 Y8 -","4","0.5","AS0602","Buttner, R. H.; Maslen, E. N.","Structural parameters and electron difference density in Y~2~BaCuO~5~","Acta Crystallographica Section B","1993","49","1","62","66","10.1107/S0108768192007936","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2100916","10.332","0.004","6.01","0.005","4.692","0.002","90","","90","","90","","291.4","0.1","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.5","AS0589","Streltsov, V. A.; Belokoneva, E. L.; Tsirelson, V. G.; Hansen, N. K.","Multipole analysis of the electron density in triphylite, LiFePO~4~, using X-ray diffraction data","Acta Crystallographica Section B","1993","49","2","147","153","10.1107/S0108768192004701","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2100925","9.4019","0.0009","5.4746","0.0003","4.4259","0.0002","90","","90","","90","","227.81","0.03","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Al2 Be O4 -","- Al2 Be O4 -","- Al8 Be4 O16 -","4","0.5","CR0439","Pilati, T.; Demartin, F.; Cariati, F.; Bruni, S.; Gramaccioli, C. M.","Atomic thermal parameters and thermodynamic functions for chrysoberyl (BeAl~2~O~4~) from vibrational spectra and transfer of empirical force fields","Acta Crystallographica Section B","1993","49","2","216","222","10.1107/S0108768192011601","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2100951","7.864","0.004","11.876","0.005","14.936","0.008","90","","90","","90","","1394.9","1.2","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H16 As Cl3 O4 -","- C24 As Cl3 O4 -","- C96 As4 Cl12 O16 -","4","0.5","HA0112","Alcock, N. W.; Ravindran, M.; Willey, G. R.","Preparations and structural correlations for the complexes of <i>M</i>^III^ halides (<i>M</i> = As, Sb, Bi) with crown ethers: structures of AsCl~3~.12-crown-4, AsCl~3~.15-crown-5, SbCl~3~.12-crown-4 and BiCl~3~.15-crown-5 and an evaluation of relative binding strengths for crown ligands","Acta Crystallographica Section B","1993","49","3","507","514","10.1107/S0108768192009595","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101070","8.2455","0.0004","5.0866","0.0003","10.3659","0.0005","90","","90","","90","","434.76","0.04","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au Ce Cu5 -","- Au Ce Cu5 -","- Au4 Ce4 Cu20 -","4","0.5","SE0121","Ruck, M.; Portisch, G.; Schlager, H. G.; Sieck, M.; Löhneysen, H. v.","Structure and electrical resistivity of the heavy fermion compound CeCu~5~Au","Acta Crystallographica Section B","1993","49","6","936","941","10.1107/S0108768193005233","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101098","10.722","0.002","11.635","0.006","34.105","0.003","90","","90","","90","","4255","2","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H28 N5 O5 S -","- C17 H23 N5 O9 S -","- C136 H184 N40 O72 S8 -","8","1","HA0119","Prout, K.; Burns, K.; Roe, A. M.","Structure of the β-blocker/vasodilator agent prizidilol, <small>DL</small>-6-{2-[3-(<i>tert</i>-butylamino)-2-hydroxypropoxy]phenyl}-3-pyridazinylhydrazine hemisulfate monohydrate","Acta Crystallographica Section B","1994","50","1","68","71","10.1107/S0108768193005117","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101173","12.496","","12.845","","18.298","","90","","90","","90","","2937","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H18 Ba Ca2 O12 -","- C22 H23 Ba Ca2 O12 -","- C88 H92 Ba4 Ca8 O48 -","4","0.5","SE0115","Hofstätter, G.; Prandl, W.; Brückel, T.; Hiller, W.","X-ray and neutron investigation of the structure and disorder in dicalcium barium acrylate","Acta Crystallographica Section B","1994","50","4","448","455","10.1107/S0108768193011887","","","0.709","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101174","12.496","","12.845","","18.298","","90","","90","","90","","2937.03","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H18 Ba Ca2 O12 -","- C22 H23 Ba Ca2 O12 -","- C88 H92 Ba4 Ca8 O48 -","4","0.5","SE0115","Hofstätter, G.; Prandl, W.; Brückel, T.; Hiller, W.","X-ray and neutron investigation of the structure and disorder in dicalcium barium acrylate","Acta Crystallographica Section B","1994","50","4","448","455","10.1107/S0108768193011887","","neutron","0.834","neutron","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101187","15.129","0.001","14.853","0.001","7.768","0.001","90","","90","","90","","1745.6","0.3","95","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","0.5","SE0138","Irngartinger, H.; Oeser, T.","Difference-density distribution of a prismane derivative","Acta Crystallographica Section B","1994","50","4","459","464","10.1107/S0108768194000169","","","0.7107","Mo","","","0.037","","","0.046","","","","","1.702","1.702","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101250","13.452","0.005","9.631","0.002","7.003","0.002","90","","90","","90","","907.3","0.5","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl5 Fe H2 K2 O -","- Cl5 Fe H2 K2 O -","- Cl20 Fe4 H8 K8 O4 -","4","0.5","CR0474","Schultz, A. J.; Carlin, R. L.","Single-crystal pulsed neutron diffraction structure of the antiferromagnet K~2~[FeCl~5~(H~2~O)] with and without applied pressure","Acta Crystallographica Section B","1995","51","1","43","47","10.1107/S0108768194008438","","neutron","0.7","neutron","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101251","13.391","0.004","9.648","0.002","6.942","0.002","90","","90","","90","","896.9","0.4","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl5 Fe H2 K2 O -","- Cl5 Fe H2 K2 O -","- Cl20 Fe4 H8 K8 O4 -","4","0.5","CR0474","Schultz, A. J.; Carlin, R. L.","Single-crystal pulsed neutron diffraction structure of the antiferromagnet K~2~[FeCl~5~(H~2~O)] with and without applied pressure","Acta Crystallographica Section B","1995","51","1","43","47","10.1107/S0108768194008438","","neutron","0.64","neutron","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101312","25.735","0.006","11.124","0.003","11.461","0.003","90","","90","","90","","3281","1.5","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H10 Cl2 N3 Ni O14 -","- C22 H48 N8 Ni2 O24 -","- C88 H192 N32 Ni8 O96 -","4","0.5","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","278244","2022-09-28","13:56:22",""
"2101334","12.918","0.004","37.899","0.007","8.487","0.002","90","","90","","90","","4155.1","1.8","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H19 Cl3 Cu F12 S16 -","- C26 H19 Cl3 Cu F12 S16 -","- C104 H76 Cl12 Cu4 F48 S64 -","4","0.5","BK0021","Geiser, U.; Schlueter, J. A.; Williams, J. M.; Naumann, D.; Roy, T.","Anion disorder in the 115–118 K structures of the organic superconductors κ~<i>L~</i>-(BEDT-TTF)~2~Cu(CF~3~)~4~(C~2~H~3~Cl~3~) and κ~<i>L~</i>-(BEDT-TTF)~2~Ag(CF~3~)~4~(C~2~H~3~Cl~3~) [BEDT-TTF=3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalene]","Acta Crystallographica Section B","1995","51","5","789","797","10.1107/S0108768195000401","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101335","12.936","0.004","37.976","0.008","8.526","0.002","90","","90","","90","","4188.5","1.8","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H19 Ag Cl3 F12 S16 -","- C26 H19 Ag0.5 Cl3 F12 S16 -","- C104 H76 Ag2 Cl12 F48 S64 -","4","0.5","BK0021","Geiser, U.; Schlueter, J. A.; Williams, J. M.; Naumann, D.; Roy, T.","Anion disorder in the 115–118 K structures of the organic superconductors κ~<i>L~</i>-(BEDT-TTF)~2~Cu(CF~3~)~4~(C~2~H~3~Cl~3~) and κ~<i>L~</i>-(BEDT-TTF)~2~Ag(CF~3~)~4~(C~2~H~3~Cl~3~) [BEDT-TTF=3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalene]","Acta Crystallographica Section B","1995","51","5","789","797","10.1107/S0108768195000401","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101344","11.1098","0.0011","6.3894","0.0009","4.8281","0.0005","90","","90","","90","","342.72","0.07","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca Mg O4 Si -","- Ca Mg O4 Si -","- Ca4 Mg4 O16 Si4 -","4","0.5","CR0482","Pilati, T.; Demartin, F.; Gramaccioli, C. M.","Thermal parameters for minerals of the olivine group: their implication on vibrational spectra, thermodynamic functions and transferable force fields","Acta Crystallographica Section B","1995","51","5","721","733","10.1107/S0108768194014382","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101386","5.5877","0.0003","7.5951","0.0004","5.2743","0.0002","90","","90","","90","","223.837","0.019","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Fe O3 Y -","- Fe O3 Y -","- Fe4 O12 Y4 -","4","0.5","AS0680","du Boulay, D.; Maslen, E. N.; Streltsov, V. A.; Ishizawa, N.","A synchrotron X-ray study of the electron density in YFeO~3~","Acta Crystallographica Section B","1995","51","6","921","929","10.1107/S0108768195004010","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101446","20.009","0.003","19.909","0.004","13.366","0.002","90","","90","","90","","5324.5","1.6","298","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C1.92 H1.32 Al0.04 Cl0.64 O24 Si11.96 -","- C6 H4 Cl2 O24 Si12 -","- C48 H32 Cl16 O192 Si96 -","8","1","HU0426","van Koningsveld, H.; Jansen, J. C.; Man, A. J. M. de","Single-crystal structure analysis and energy minimizations of a MFI-type zeolite at low <i>p</i>-dichlorobenzene sorbate loading","Acta Crystallographica Section B","1996","52","1","131","139","10.1107/S0108768195008512","","","0.71073","Mo","","","0.044","","","0.048","","","","","2.99","2.99","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101516","8.871","0.003","6.78","0.003","5.023","0.001","90","","90","","90","","302.11","0.18","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","α-sodium cobalt phosphate","","- Co Na O4 P -","- Co Na O4 P -","- Co4 Na4 O16 P4 -","4","0.5","BR0046","Hammond, R.; Barbier, J.","Structural chemistry of NaCoPO~4~","Acta Crystallographica Section B","1996","52","3","440","449","10.1107/S0108768195016259","","","0.56086","AgKα","","0.0602","0.0308","","0.0653","0.0603","","","","0.797","0.936","0.936","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101539","7.7294","0.0001","4.24697","0.00007","10.7374","0.0001","90","","90","","90","","352.472","0.008","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H I O Sr -","- H I O Sr -","- H4 I4 O4 Sr4 -","4","0.5","SE0177","Peter, S.; Cockcroft, J. K.; Roisnel, T.; Lutz, H. D.","Distance limits of OH···<i>Y</i> hydrogen bonds (<i>Y</i> = Cl, Br, I) in solid hydroxides, structure refinement of laurionite-type Ba(OD)I, Sr(OD)I and Sr(OH)I by neutron and synchrotron X-ray powder diffraction","Acta Crystallographica Section B","1996","52","3","423","427","10.1107/S0108768195013449","","","0.85","synchrotron","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101544","18.086","0.001","6.983","0.001","14.363","0.001","90","","90","","90","","1814","0.3","100","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H20 Cl2 N2 O4 -","- C18 H20 Cl2 N2 O4 -","- C72 H80 Cl8 N8 O16 -","4","0.5","AN0523","Wozniak, K.; Wilson, C. C.; Knight, K. S.; Jones, W.; Grech, E.","Neutron diffraction of a complex of 1,8-bis(dimethylamino)naphthalene with 1,2-dichloromaleic acid","Acta Crystallographica Section B","1996","52","4","691","696","10.1107/S0108768196003023","","neutron","","neutron","","0.0718","0.0703","","0.1509","0.1428","","","","","1.067","1.067","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101545","12.1793","0.0007","5.6591","0.0005","7.1323","0.0004","90","0.007","90","0.005","90","0.007","491.59","0.06","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","diyttrium_barium_copper(II)_pentoxide","","- Ba Cu O5 Y2 -","- Ba Cu O5 Y2 -","- Ba4 Cu4 O20 Y8 -","4","0.5","AS0699","Hsu, Rebekah M.; Maslen, Edward N.; Ishizawa, Nobuo","A synchrotron X-ray study of the electron density in Y~2~BaCuO~5~","Acta Crystallographica Section B","1996","52","4","569","575","10.1107/S0108768196000250","","","0.9","xray_wiggler","","0.02","0.02","","0.02","0.02","","","","3.087","3.092","3.092","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101606","10.95","0.01","10.15","0.01","10.82","0.01","90","","90","","90","","1203","2","293","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C5 Ca Cl2 D15 N O4 -","- C5 Ca Cl2 D15 N O4 -","- C20 Ca4 Cl8 D60 N4 O16 -","4","0.5","HR0028","Ezpeleta, J. M.; Zúñiga, F. J.; Paulus, W.; Cousson, A.; Hlinka, J.; Quilichini, M.","Structures of room-temperature and ferroelectric (35 K) phases of deuterated betaine calcium chloride dihydrate","Acta Crystallographica Section B","1996","52","5","810","816","10.1107/S0108768195015801","","neutron","0.8308","neutron","","","0.048","","","0.047","","","","","3.53","3.53","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101626","15.72","0.003","8.218","0.002","8.709","0.002","90","","90","","90","","1125.1","0.4","291","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 N4 O3 S -","- C5 H16 N4 O3 S -","- C20 H64 N16 O12 S4 -","4","0.5","CR0511","Li, Q.; Mak, T. C. W.","Inclusion compounds of thiourea and peralkylated ammonium salts. III. Hydrogen-bonded host lattices built of thiourea and nitrate ions","Acta Crystallographica Section B","1996","52","6","989","998","10.1107/S010876819600451X","","","0.71073","MoKα","","","0.073","","","0.08","","","","","1.34","1.34","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101672","8.5222","0.0011","6.8359","0.001","24.142","0.004","90","","90","","90","","1406.4","0.4","293","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag2 P2 S11 Ti2 -","- Ag2 P2 S11 Ti2 -","- Ag8 P8 S44 Ti8 -","4","0.5","DU0410","Gaudin, E.; Fischer, L.; Boucher, F.; Evain, M.; Petricek, V.","Ag~2~Ti~2~P~2~S~11~: A New Layered Thiophosphate. Synthesis, Structure Determination and Temperature Dependence of the Silver Distribution","Acta Crystallographica Section B","1997","53","1","67","75","10.1107/S010876819601097X","","","0.71073","MoKα","","","0.0378","","","0.0385","","","","","1.28","1.28","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101923","5.689","0.001","7.6094","0.0009","5.335","0.0008","90","","90","","90","","230.95","0.06","293","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O3 Ti Y -","- O3 Ti Y -","- O12 Ti4 Y4 -","4","0.5","OA0005","Hester, J. R.; Tomimoto, K.; Noma, H.; Okamura, F. P.; Akimitsu, J.","Electron Density in YTiO~3~","Acta Crystallographica Section B","1997","53","5","739","744","10.1107/S010876819700551X","","","0.2106","WKα","","","0.0017","","","0.0013","","","","","2.27","2.27","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101924","5.6901","0.0004","7.613","0.0007","5.3381","0.0006","90","","90","","90","","231.24","0.04","293","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O3 Ti Y -","- O3 Ti Y -","- O12 Ti4 Y4 -","4","0.5","OA0005","Hester, J. R.; Tomimoto, K.; Noma, H.; Okamura, F. P.; Akimitsu, J.","Electron Density in YTiO~3~","Acta Crystallographica Section B","1997","53","5","739","744","10.1107/S010876819700551X","","","0.2106","WKα","","","0.0024","","","0.0017","","","","","1.64","1.64","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101925","5.69","0.004","7.583","0.006","5.318","0.005","90","","90","","90","","229.5","0.3","127","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O3 Ti Y -","- O3 Ti Y -","- O12 Ti4 Y4 -","4","0.5","OA0005","Hester, J. R.; Tomimoto, K.; Noma, H.; Okamura, F. P.; Akimitsu, J.","Electron Density in YTiO~3~","Acta Crystallographica Section B","1997","53","5","739","744","10.1107/S010876819700551X","","","0.2106","WKα","","","0.0021","","","0.0015","","","","","1.8","1.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101943","11.7","0.009","17.874","0.01","6.085","0.003","90","","90","","90","","1272.5","1.4","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","Molybdenum Pentachloride","γ-Molybdenum Pentachloride","","- Cl5 Mo -","- Cl5 Mo -","- Cl40 Mo8 -","8","1","JZ0002","Beck, J.; Wolf, F.","Three New Polymorphic Forms of Molybdenum Pentachloride","Acta Crystallographica Section B","1997","53","6","895","903","10.1107/S0108768197008331","","","0.71073","MoKα","","0.0466","0.04","","0.1259","0.1211","","","","1.147","1.203","1.203","","","","","has coordinates,has Fobs","278244","2022-09-28","13:56:22",""
"2101987","20.0511","0.0001","19.8757","0.0001","13.36823","0.00009","90","","90","","90","","5327.64","0.05","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- H3.6 O24 Si11.04 -","- O24 Si12 -","- O192 Si96 -","8","1","NA0094","Artioli, G.; Lamberti, C.; Marra, G.L.","Neutron powder diffraction study of orthorhombic and monoclinic defective silicalite","Acta Crystallographica Section B","2000","56","1","2","10","10.1107/S0108768199008927","","neutron","1.22","neutron","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2102527","20.639","0.003","16.657","0.003","6.705","0.003","90","","90","","90","","2305.1","1.2","0","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","tris((mu!2$-Cyan)-tetracarbonyl-rhenium)","","- C12 N6 O12 Re3 -","- C12 N6 O12 Re3 -","- C48 N24 O48 Re12 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102732","13.818","0.001","5.755","0.001","9.901","0.001","90","","90","","90","","787.35","0.17","293","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cr Li O11 Sr Ti4 -","- Cr0.99 Li O11 Sr Ti4.01 -","- Cr3.96 Li4 O44 Sr4 Ti16.04 -","4","0.5","LC5052","Imaz, Inhar; Pechev, Stanislav; Gravereau, Pierre; Chaminade, Jean-Pierre; Kosseva, Iovka; Peshev, Pavel; Bouree, Francoise","Structural filiations in the new complex titanates SrLi<i>M</i>Ti~4~O~11~ (<i>M</i> = Cr, Fe)","Acta Crystallographica Section B","2007","63","1","26","36","10.1107/S0108768106041929","","","0.71073","MoKα","","","0.023","","","","0.056","","","","","","1.2","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2102733","13.798","0.002","5.763","0.001","9.89","0.002","90","","90","","90","","786.4","0.2","293","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cr Li O11 Sr Ti4 -","- Cr Li O11 Sr Ti4 -","- Cr4 Li4 O44 Sr4 Ti16 -","4","0.5","LC5052","Imaz, Inhar; Pechev, Stanislav; Gravereau, Pierre; Chaminade, Jean-Pierre; Kosseva, Iovka; Peshev, Pavel; Bouree, Francoise","Structural filiations in the new complex titanates SrLi<i>M</i>Ti~4~O~11~ (<i>M</i> = Cr, Fe)","Acta Crystallographica Section B","2007","63","1","26","36","10.1107/S0108768106041929","","","0.71073","MoKα","","","0.04","","","","0.073","","","","","","1.18","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2102765","8.59576","0.00004","19.77464","0.00011","14.3189","0.00007","90","","90","","90","","2433.9","0.02","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Li12 Si7 -","- Li12 Si7 -","- Li96 Si56 -","8","1","WS5053","Wu, Hui; Hartman, Michael R.; Udovic, Terrence J.; Rush, John J.; Zhou, Wei; Bowman Jr, Robert C.; Vajo, John J.","Structure of the novel ternary hydrides Li~4~<i>Tt</i>~2~D (<i>Tt</i> = Si and Ge)","Acta Crystallographica Section B","2007","63","1","63","68","10.1107/S0108768106046465","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102791","8.9171","0.0006","3.63421","0.00018","11.4775","0.0007","90","","90","","90","","371.95","0.04","","","434","","","","","","","","","4","P n m a","-P 2ac 2n","62","Magnesium chloride hydrate","Magnesium chloride monohydrate","","- Cl2 H2 Mg O -","- Cl2 H2 Mg O -","- Cl8 H8 Mg4 O4 -","4","0.5","KD5011","Sugimoto, Kunihisa; E. Dinnebier, Robert; Jonathan C. Hanson","Crystal structures of dehydration products of Bischofite, MgCl2 nH2O (n = 1, 2, 4) from in situ synchrotron powder diffraction data","Acta Crystallographica, Section B","2007","63","2","235","242","10.1107/S0108768107002558","","","0.92187","synchrotron","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2102924","21.3536","0.0009","4.042","0.0003","7.2723","0.0006","90","","90","","90","","627.68","0.07","295","2","295.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Al11 Co6 Si6 -","- Al11 Co6 Si6 -","- Al22 Co12 Si12 -","2","0.25","SN5051","Richter, Klaus W.; Prots, Yurii; Borrmann, Horst; Ramlau, Reiner; Grin, Yuri","Crystal structure and local order in Co~6~Al~11{-~<i>x</i>}Si~6+<i>x~</i>","Acta Crystallographica Section B","2007","63","4","551","560","10.1107/S0108768107029709","","","0.71073","MoKα","","","0.027","","","","0.047","","","","","","1.03","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102999","10.446","0.003","10.365","0.002","5.2889","0.0015","90","","90","","90","","572.6","0.3","297","1","297","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca O7 V3 -","- Ca O7 V3 -","- Ca4 O28 V12 -","4","0.5","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0228","0.0202","","","0.0531","0.0536","","","","","","1.277","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103000","10.444","0.003","10.368","0.002","5.2927","0.0015","90","","90","","90","","573.1","0.3","287","1","287","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca O7 V3 -","- Ca O7 V3 -","- Ca4 O28 V12 -","4","0.5","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.023","0.0196","","","0.0516","0.0524","","","","","","0.933","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103001","10.437","0.003","10.367","0.002","5.2947","0.0015","90","","90","","90","","572.9","0.3","275","1","275","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca O7 V3 -","- Ca O7 V3 -","- Ca4 O28 V12 -","4","0.5","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0242","0.0205","","","0.0593","0.0605","","","","","","0.976","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103002","10.442","0.003","10.367","0.002","5.2914","0.0015","90","","90","","90","","572.8","0.3","262","1","262","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca O7 V3 -","- Ca O7 V3 -","- Ca4 O28 V12 -","4","0.5","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0225","0.0191","","","0.0534","0.0548","","","","","","0.938","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103003","10.436","0.003","10.367","0.002","5.2921","0.0015","90","","90","","90","","572.6","0.3","250","1","250","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca O7 V3 -","- Ca O7 V3 -","- Ca4 O28 V12 -","4","0.5","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0222","0.0192","","","0.0541","0.0552","","","","","","0.941","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103004","10.436","0.003","10.368","0.002","5.2911","0.0015","90","","90","","90","","572.5","0.3","237","1","237","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca O7 V3 -","- Ca O7 V3 -","- Ca4 O28 V12 -","4","0.5","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0215","0.0187","","","0.0531","0.0538","","","","","","0.901","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103005","10.431","0.003","10.366","0.002","5.2918","0.0015","90","","90","","90","","572.2","0.3","225","1","225","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca O7 V3 -","- Ca O7 V3 -","- Ca4 O28 V12 -","4","0.5","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0237","0.0201","","","0.0564","0.0578","","","","","","0.931","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103006","10.442","0.003","10.367","0.002","5.286","0.0016","90","","90","","90","","572.2","0.3","219","1","219","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca O7 V3 -","- Ca O7 V3 -","- Ca4 O28 V12 -","4","0.5","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0232","0.0198","","","0.0612","0.0634","","","","","","0.794","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103007","10.423","0.003","10.366","0.003","5.2958","0.0019","90","","90","","90","","572.2","0.3","212","1","212","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca O7 V3 -","- Ca O7 V3 -","- Ca4 O28 V12 -","4","0.5","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0231","0.0195","","","0.0493","0.0502","","","","","","1.091","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103008","10.427","0.003","10.37","0.002","5.2904","0.0015","90","","90","","90","","572","0.3","206","1","206","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca O7 V3 -","- Ca O7 V3 -","- Ca4 O28 V12 -","4","0.5","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0217","0.0192","","","0.0619","0.0634","","","","","","0.804","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103009","10.426","0.003","10.367","0.002","5.2909","0.0015","90","","90","","90","","571.9","0.3","200","1","200","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca O7 V3 -","- Ca O7 V3 -","- Ca4 O28 V12 -","4","0.5","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.022","0.0193","","","0.0559","0.0567","","","","","","0.934","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103010","10.423","0.003","10.367","0.002","5.2902","0.0015","90","","90","","90","","571.6","0.3","187","1","187","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca O7 V3 -","- Ca O7 V3 -","- Ca4 O28 V12 -","4","0.5","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0221","0.019","","","0.0546","0.0557","","","","","","0.937","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103011","10.421","0.003","10.369","0.002","5.2905","0.0015","90","","90","","90","","571.7","0.3","175","1","175","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca O7 V3 -","- Ca O7 V3 -","- Ca4 O28 V12 -","4","0.5","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0221","0.0186","","","0.054","0.0552","","","","","","0.968","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103012","10.418","0.003","10.368","0.002","5.2892","0.0015","90","","90","","90","","571.3","0.3","162","1","162","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca O7 V3 -","- Ca O7 V3 -","- Ca4 O28 V12 -","4","0.5","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0218","0.0185","","","0.052","0.0529","","","","","","0.956","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103013","10.416","0.003","10.37","0.002","5.2893","0.0015","90","","90","","90","","571.3","0.3","150","1","150","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca O7 V3 -","- Ca O7 V3 -","- Ca4 O28 V12 -","4","0.5","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0219","0.0187","","","0.0532","0.0545","","","","","","0.929","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103014","10.413","0.003","10.37","0.002","5.2886","0.0015","90","","90","","90","","571.1","0.3","137","1","137","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca O7 V3 -","- Ca O7 V3 -","- Ca4 O28 V12 -","4","0.5","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0215","0.0183","","","0.0551","0.056","","","","","","0.954","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103015","10.409","0.003","10.37","0.002","5.2875","0.0015","90","","90","","90","","570.7","0.3","125","1","125","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca O7 V3 -","- Ca O7 V3 -","- Ca4 O28 V12 -","4","0.5","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.022","0.019","","","0.0529","0.0543","","","","","","0.97","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103016","10.409","0.003","10.372","0.002","5.2884","0.0015","90","","90","","90","","570.9","0.3","112","1","112","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca O7 V3 -","- Ca O7 V3 -","- Ca4 O28 V12 -","4","0.5","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.7093","MoKα","","0.0218","0.0189","","","0.0545","0.0557","","","","","","0.973","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103017","10.409","0.003","10.374","0.002","5.2876","0.0015","90","","90","","90","","571","0.3","100","1","100","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca O7 V3 -","- Ca O7 V3 -","- Ca4 O28 V12 -","4","0.5","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.7093","","","0.0212","0.0185","","","0.0535","0.0545","","","","","","0.945","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103099","8.899","0.007","3.634","0.002","11.398","0.008","90","","90","","90","","368.6","","298","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cl2 H2 Mg O -","- Cl2 H2 Mg O -","- Cl8 H8 Mg4 O4 -","4","0.5","AN0607","Kaduk, James A.","Use of the Inorganic Crystal Structure Database as a problem solving tool","Acta Crystallographica, Section B: Structural Science","2002","58","3","370","379","10.1107/S0108768102003476","","","","","","","","","","","","","","","","","","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103206","9.208","","14.948","","16.233","","90","","90","","90","","2234.33","","","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- Cl4 Fe H29 Mo3 N9 O S4 -","- Cl4 Fe H29 Mo3 N9 O S4 -","- Cl16 Fe4 H116 Mo12 N36 O4 S16 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2103208","15.412","","7.668","","13.038","","90","","90","","90","","1540.82","","","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","Pentacarbonyl(phenylisocyanide)rhenium Tetrafluoroborate","","- C12 H5 B F4 N O5 Re -","- C12 H5 B F4 N O5 Re -","- C48 H20 B4 F16 N4 O20 Re4 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199518","2020-10-21","18:00:00",""
"2103209","15.494","","12.229","","12.873","","90","","90","","90","","2439.13","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Dichloro(6,13-(bis-2-hydroxyethyl)-6H,13H-tripyrido-[cd,fg,lm]- [1,2,4,7,9,10]heptaaza-pentadecine)iron(III) chloride","","- C23 H25 Cl3 Fe N7 O2 -","- C23 H25 Cl3 Fe N7 O2 -","- C92 H100 Cl12 Fe4 N28 O8 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199518","2020-10-21","18:00:00",""
"2103210","18.344","","10.544","","7.202","","90","","90","","90","","1393.01","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H6 Fe2 O6 Se2 -","- C32 Fe8 O24 Se8 -","- C32 Fe8 O24 Se8 -","","","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103223","16.763","","14.188","","14.275","","90","","90","","90","","3395.07","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","(μ2-α,α'-bis((Di-2-pyridyl)methylamino)-m-xylene)-bis(μ2-hydroxo)- (μ2-perchlorato-O,O')-di-copper(ii) perchlorate monohydrate","","- C30 H28 Cl2 Cu2 N6 O11 -","- C30 H28 Cl2 Cu2 N6 O11 -","- C120 H112 Cl8 Cu8 N24 O44 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199518","2020-10-21","18:00:00",""
"2103426","6.6524","0.0005","6.9466","0.0004","16.0497","0.0009","90","","90","","90","","741.68","0.08","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","aminoguanidinium pentafluorozirconate","aminoguanidinium pentafluorozirconate","","- C H7 F5 N4 Zr -","- C H7 F5 N4 Zr -","- C4 H28 F20 N16 Zr4 -","4","0.5","BR0112","Ross II, C. R.; Bauer, M. R.; Nielson, R. M.; Abrahams, S. C.","Aminoguanidinium(1+) pentafluorozirconate: multiple redetermination and comparisons","Acta Crystallographica Section B","2002","58","5","841","848","10.1107/S0108768102012624","","","0.71065","MoKα","","0.0322","0.0278","","0.0759","0.0737","0.076","","","","","","1.221","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103427","6.6404","0.0006","6.8981","0.0005","15.9872","0.0009","90","","90","","90","","732.31","0.09","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","aminoguanidinium pentafluorozirconate","aminoguanidinium pentafluorozirconate","","- C H7 F5 N4 Zr -","- C H7 F5 N4 Zr -","- C4 H28 F20 N16 Zr4 -","4","0.5","BR0112","Ross II, C. R.; Bauer, M. R.; Nielson, R. M.; Abrahams, S. C.","Aminoguanidinium(1+) pentafluorozirconate: multiple redetermination and comparisons","Acta Crystallographica Section B","2002","58","5","841","848","10.1107/S0108768102012624","","","1.5418","CuKα","","0.0188","0.0186","","0.0456","0.0455","0.046","","","","","","1.339","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103428","6.6485","0.0004","6.934","0.0004","16.0344","0.0004","90","","90","","90","","739.2","0.06","283","2","283","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","aminoguanidinium pentafluorozirconate","aminoguanidinium pentafluorozirconate","","- C H7 F5 N4 Zr -","- C H7 F5 N4 Zr -","- C4 H28 F20 N16 Zr4 -","4","0.5","BR0112","Ross II, C. R.; Bauer, M. R.; Nielson, R. M.; Abrahams, S. C.","Aminoguanidinium(1+) pentafluorozirconate: multiple redetermination and comparisons","Acta Crystallographica Section B","2002","58","5","841","848","10.1107/S0108768102012624","","","0.71065","MoKα","","0.0167","","","0.0408","0.0396","0.0408","","","","","","1.199","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103638","15.231","0.005","6.778","0.003","8.626","0.003","90","","90","","90","","890.5","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","9a","4,6-Dimethoxy-3-methyl-1,3,5-triazine-2(3H)-thione","","- C6 H9 N3 O2 S -","- C6 H9 N3 O2 S -","- C24 H36 N12 O8 S4 -","4","0.5","AV0037","Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem","Topochemically controlled solid-state methyl rearrangement in thiocyanurates","Acta Crystallographica Section B","2001","57","3","428","434","10.1107/S0108768101005171","","","0.7107","MoKα","","0.1025","0.0609","","","","0.154","","","","","","1.104","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103641","15.712","0.007","6.73","0.003","8.731","0.004","90","","90","","90","","923.2","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","12","1-methyl-2,4-bismethylthio-1,3,5-triazine-6(1H)-one","","- C6 H9 N3 O S2 -","- C6 H9 N3 O S2 -","- C24 H36 N12 O4 S8 -","4","0.5","AV0037","Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem","Topochemically controlled solid-state methyl rearrangement in thiocyanurates","Acta Crystallographica Section B","2001","57","3","428","434","10.1107/S0108768101005171","","","0.7107","MoKα","","0.0763","0.049","","","","0.1171","","","","","","1.076","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103653","11.02","0.03","10.27","0.02","10.85","0.02","90","","90","","90","","1228","5","295","","295","","","","","","","","","7","P n m a","-P 2ac 2n","62","BCCDBr(38%)","38% Brominated Betaine Calcium Chloride Dihydrate","","- C5 H15 Br0.72 Ca Cl1.28 N O4 -","- C5 H15 Br0.72 Ca Cl1.28 N O4 -","- C20 H60 Br2.88 Ca4 Cl5.12 N4 O16 -","4","0.5","LC0032","Vieira, L. G.; Hernandez, O.; Ribeiro, J. L.; Cousson, A.; Kiat, J.-M.; Chaves, M. R.; Almeida, A.; Klöpperpieper, A.","Structure of the X-phase of 38% brominated betaine calcium chloride dihydrate","Acta Crystallographica Section B","2001","57","3","296","302","10.1107/S0108768101001525","","neutron","1.531","Neutron","","","0.0517","","","","0.0417","","","","","","1.0292","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103692","9.5424","0.0011","21.705","0.002","5.8137","0.0007","90","","90","","90","","1204.1","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Sr(1,5NDS).H2O","strontium 1,5-naphthalenedisulfonate monohydrate","","- C10 H8 O7 S2 Sr -","- C10 H8 O7 S2 Sr -","- C40 H32 O28 S8 Sr4 -","4","0.5","BM0044","Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming","Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate","Acta Crystallographica Section B","2001","57","4","520","530","10.1107/S010876810100862X","","","0.71073","MoKα","","0.0295","0.0225","","","","0.059","","","","","","1.029","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103693","9.7662","0.0014","22.08","0.003","5.987","0.0008","90","","90","","90","","1291","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Ba(1,5NDS).H2O","barium 1,5-naphthalenedisulfonate monohydrate","","- C10 H8 Ba O7 S2 -","- C10 H8 Ba O7 S2 -","- C40 H32 Ba4 O28 S8 -","4","0.5","BM0044","Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming","Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate","Acta Crystallographica Section B","2001","57","4","520","530","10.1107/S010876810100862X","","","0.71073","MoKα","","0.0273","0.0226","","","","0.0556","","","","","","1.013","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103743","8.465","0.001","6.749","0.001","14.284","0.002","90","","90","","90","","816.05","0.19","320","2","320","2","","","","","","","","4","P n m a","-P 2ac 2n","62","OON (methoxy cyanurate)","4,6-Dimethoxy-3-methyl-dihydro-triazine-2-one","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C24 H36 N12 O12 -","4","0.5","AV0042","Kaftory, Menahem; Botoshansky, Mark; Kapon, Moshe; Shteiman, Vitaly","Irreversible single-crystal to polycrystal and reversible single-crystal to single-crystal phase transformations in cyanurates","Acta Crystallographica Section B","2001","57","6","791","799","10.1107/S0108768101014987","","","0.7107","MoKα","","0.0939","0.0461","","","","0.147","","","","","","0.976","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103744","8.481","0.001","6.78","0.001","14.284","0.002","90","","90","","90","","821.35","0.19","359","2","359","2","","","","","","","","4","P n m a","-P 2ac 2n","62","OON (methoxy cyanurate)","4,6-Dimethoxy-3-methyl-dihydro-triazine-2-one","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C24 H36 N12 O12 -","4","0.5","AV0042","Kaftory, Menahem; Botoshansky, Mark; Kapon, Moshe; Shteiman, Vitaly","Irreversible single-crystal to polycrystal and reversible single-crystal to single-crystal phase transformations in cyanurates","Acta Crystallographica Section B","2001","57","6","791","799","10.1107/S0108768101014987","","","0.71073","MoKα","","0.0755","0.056","","","","0.1664","","","","","","1.04","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103758","11.0818","0.0004","16.6025","0.0005","7.1255","0.0002","90","","90","","90","","1310.99","0.07","480","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","deuterated barium hydroxide","","- Ba D2 O2 -","- Ba D2 O2 -","- Ba20 D40 O40 -","20","2.5","OS0074","Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle","Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase","Acta Crystallographica Section B","2001","57","6","747","758","10.1107/S0108768101013647","","neutron","1.59432","neutron","","","","","","","","","","1.53","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103762","10.9577","0.0003","16.4138","0.0005","7.07374","0.00018","90","","90","","90","","1272.27","0.06","150","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","deuterated barium hydroxide","","- Ba D2 O2 -","- Ba D2 O2 -","- Ba20 D40 O40 -","20","2.5","OS0074","Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle","Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase","Acta Crystallographica Section B","2001","57","6","747","758","10.1107/S0108768101013647","","neutron","1.59432","neutron","","","","","","","","","","1.8","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103763","10.9789","0.0003","16.4317","0.0004","7.0784","0.00018","90","","90","","90","","1276.96","0.06","200","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","deuterated barium hydroxide","","- Ba D2 O2 -","- Ba D2 O2 -","- Ba20 D40 O40 -","20","2.5","OS0074","Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle","Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase","Acta Crystallographica Section B","2001","57","6","747","758","10.1107/S0108768101013647","","neutron","1.59432","neutron","","","","","","","","","","1.76","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103764","11.1191","0.0005","16.6694","0.0009","7.142","0.0004","90","","90","","90","","1323.76","0.12","552","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","deuterated barium hydroxide","","- Ba D2 O2 -","- Ba D2 O2 -","- Ba20 D40 O40 -","20","2.5","OS0074","Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle","Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase","Acta Crystallographica Section B","2001","57","6","747","758","10.1107/S0108768101013647","","neutron","1.59432","neutron","","","","","","","","","","1.31","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104021","6.3635","0.0004","7.5998","0.0003","13.1715","0.0009","90","","90","","90","","636.99","0.06","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","Lithium bis(oxalato)borate","Lithium bis(oxalato)borate","","- C4 B Li O8 -","- C4 B Li O8 -","- C16 B4 Li4 O32 -","4","0.5","TA5002","Zavalij, Peter Y.; Yang, Shoufeng; Whittingham, M. Stanley","Structures of potassium, sodium and lithium bis(oxalato)borate salts from powder diffraction data","Acta Crystallographica Section B","2003","59","6","753","759","10.1107/S0108768103022602","","","1.54056","CuKα~1~","","","","","","","","","","2.35","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104144","11.3021","0.0007","6.4657","0.0004","5.0435","0.0003","90","","90","","90","","368.56","0.04","295","2","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca1.17 Co0.83 Ge O4 -","- Ca1.17 Co0.83 Ge O4 -","- Ca4.68 Co3.32 Ge4 O16 -","4","0.5","WS5059","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner","On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn)","Acta Crystallographica Section B","2008","64","3","261","271","10.1107/S0108768108010434","","","0.71073","MoKα","","","0.0286","","","","0.0696","","","","","","1.359","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104145","11.3919","0.0007","6.78","0.0004","5.2424","0.0003","90","","90","","90","","404.91","0.04","293","2","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca2 Ge O4 -","- Ca2 Ge O4 -","- Ca8 Ge4 O16 -","4","0.5","WS5059","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner","On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn)","Acta Crystallographica Section B","2008","64","3","261","271","10.1107/S0108768108010434","","","0.71073","MoKα","","","0.0187","","","","0.0418","","","","","","1.254","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104146","11.3919","0.0007","6.78","0.0004","5.2424","0.0003","90","","90","","90","","404.91","0.04","295","2","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca2 Ge O4 -","- Ca1.99 Ge O4 -","- Ca7.96 Ge4 O16 -","4","0.5","WS5059","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner","On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn)","Acta Crystallographica Section B","2008","64","3","261","271","10.1107/S0108768108010434","","","0.71073","MoKα","","","0.0178","","","","0.0441","","","","","","1.243","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104147","11.326","0.0007","6.5604","0.0004","5.1069","0.0003","90","","90","","90","","379.46","0.04","295","2","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca1.14 Ge Mn0.86 O4 -","- Ca1.14 Ge Mn0.86 O4 -","- Ca4.56 Ge4 Mn3.44 O16 -","4","0.5","WS5059","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner","On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn)","Acta Crystallographica Section B","2008","64","3","261","271","10.1107/S0108768108010434","","","0.71073","MoKα","","","0.0234","","","","0.0578","","","","","","1.159","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104148","11.3256","0.0007","6.5643","0.0004","5.1098","0.0003","90","","90","","90","","379.89","0.04","295","2","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca1.17 Ge Mn0.83 O4 -","- Ca1.17 Ge Mn0.83 O4 -","- Ca4.68 Ge4 Mn3.32 O16 -","4","0.5","WS5059","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner","On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn)","Acta Crystallographica Section B","2008","64","3","261","271","10.1107/S0108768108010434","","","0.71073","MoKα","","","0.021","","","","0.0495","","","","","","1.218","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104149","11.2916","0.0007","6.4405","0.0004","5.0251","0.0003","90","","90","","90","","365.44","0.04","295","2","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca1.16 Ge Mg0.83 O4 -","- Ca1.16 Ge Mg0.84 O4 -","- Ca4.64 Ge4 Mg3.36 O16 -","4","0.5","WS5059","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner","On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn)","Acta Crystallographica Section B","2008","64","3","261","271","10.1107/S0108768108010434","","","0.71073","MoKα","","","0.0223","","","","0.0512","","","","","","1.218","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104150","11.2923","0.0007","6.4369","0.0004","5.0246","0.0003","90","","90","","90","","365.23","0.04","295","2","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca1.11 Co0.89 Ge O4 -","- Ca1.11 Co0.89 Ge O4 -","- Ca4.44 Co3.56 Ge4 O16 -","4","0.5","WS5059","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner","On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn)","Acta Crystallographica Section B","2008","64","3","261","271","10.1107/S0108768108010434","","","0.71073","MoKα","","","0.0199","","","","0.047","","","","","","1.146","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104151","11.2873","0.0007","6.4369","0.0004","5.0245","0.0003","90","","90","","90","","365.06","0.04","295","2","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca1.11 Co0.89 Ge O4 -","- Ca1.11 Co0.89 Ge O4 -","- Ca4.44 Co3.56 Ge4 O16 -","4","0.5","WS5059","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner","On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn)","Acta Crystallographica Section B","2008","64","3","261","271","10.1107/S0108768108010434","","","0.71073","MoKα","","","0.021","","","","0.0489","","","","","","1.197","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104152","11.3391","0.0007","6.6035","0.0004","5.1326","0.0003","90","","90","","90","","384.32","0.04","295","2","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca1.31 Ge Mn0.69 O4 -","- Ca1.31 Ge Mn0.69 O4 -","- Ca5.24 Ge4 Mn2.76 O16 -","4","0.5","WS5059","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner","On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn)","Acta Crystallographica Section B","2008","64","3","261","271","10.1107/S0108768108010434","","","0.71073","MoKα","","","0.0204","","","","0.0454","","","","","","1.243","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104153","11.2882","0.0007","6.4309","0.0004","5.0223","0.0003","90","","90","","90","","364.59","0.04","295","2","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca1.07 Ge Mg0.93 O4 -","- Ca1.07 Ge Mg0.93 O4 -","- Ca4.28 Ge4 Mg3.72 O16 -","4","0.5","WS5059","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner","On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn)","Acta Crystallographica Section B","2008","64","3","261","271","10.1107/S0108768108010434","","","0.71073","MoKα","","","0.0259","","","","0.0536","","","","","","1.16","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104154","11.3923","0.0008","6.7854","0.0008","5.2388","0.0004","90","","90","","90","","404.97","0.06","295","2","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca2 Ge O4 -","- Ca1.999 Ge O4 -","- Ca7.996 Ge4 O16 -","4","0.5","WS5059","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner","On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn)","Acta Crystallographica Section B","2008","64","3","261","271","10.1107/S0108768108010434","","","0.71073","MoKα","","","0.0241","","","","0.0632","","","","","","1.205","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104226","10.3005","0.0001","6.0028","0.0001","4.7816","0.0001","90","","90","","90","","295.655","0.008","300","","300","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Co2 O4 Si -","- Co2 O4 Si -","- Co8 O16 Si4 -","4","0.5","BP5014","Sazonov, Andrew; Meven, Martin; Hutanu, Vladimir; Kaiser, Volker; Heger, Gernot; Trots, Dmytro; Merz, Michael","Structural behaviour of synthetic Co~2~SiO~4~ at low temperatures","Acta Crystallographica Section B","2008","64","6","661","668","10.1107/S010876810803214X","","neutron","0.552","constantwavelengthneutrondiffraction","","0.0623","0.0337","","0.057","0.0544","0.0544","","","1.28","0.75","0.75","0.75","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104227","10.2869","0.0001","5.9889","0.0001","4.7781","0.0001","90","","90","","90","","294.365","0.008","55","","55","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Co2 O4 Si -","- Co2 O4 Si -","- Co8 O16 Si4 -","4","0.5","BP5014","Sazonov, Andrew; Meven, Martin; Hutanu, Vladimir; Kaiser, Volker; Heger, Gernot; Trots, Dmytro; Merz, Michael","Structural behaviour of synthetic Co~2~SiO~4~ at low temperatures","Acta Crystallographica Section B","2008","64","6","661","668","10.1107/S010876810803214X","","neutron","0.552","constantwavelengthneutrondiffraction","","0.0545","0.0291","","0.0386","0.0349","0.0349","","","1.1","0.95","0.95","0.95","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104228","10.2864","0.0001","5.9872","0.0001","4.7785","0.0001","90","","90","","90","","294.292","0.008","2.5","","2.5","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Co2 O4 Si -","- Co2 O4 Si -","- Co8 O16 Si4 -","4","0.5","BP5014","Sazonov, Andrew; Meven, Martin; Hutanu, Vladimir; Kaiser, Volker; Heger, Gernot; Trots, Dmytro; Merz, Michael","Structural behaviour of synthetic Co~2~SiO~4~ at low temperatures","Acta Crystallographica Section B","2008","64","6","661","668","10.1107/S010876810803214X","","neutron","0.552","constantwavelengthneutrondiffraction","","0.0491","0.033","","0.0494","0.0444","0.0444","","","1.49","1","1","1","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104330","16.7247","0.0018","15.707","0.0016","11.2154","0.0011","90","","90","","90","","2946.2","0.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H32 Cl3 N O8 -","- C30 H32 Cl3 N O8 -","- C120 H128 Cl12 N4 O32 -","4","0.5","RY5022","Zeller, Matthias; Lutz Jr, Marlon R.; Becker, Daniel P.","An aza-cyclophane stacked in racemic columnar assemblies: whole-molecule disorder in a two-dimensional solid solution","Acta Crystallographica Section B","2009","65","2","223","229","10.1107/S0108768109002134","","","0.71073","MoKα","","0.0955","0.0768","","","0.2042","0.2223","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2104671","7.1452","0.0004","5.8979","0.0003","14.2737","0.0007","90","","90","","90","","601.52","0.05","223","2","223","2","","","","","","","","4","P n m a","-P 2ac 2n","62","ammonium dioxotetrafluoromolybdate","ammonium dioxotetrafluoromolybdate","","- F4 Mo N2 O2 -","- F4 H8 Mo N2 O2 -","- F16 H32 Mo4 N8 O8 -","4","0.5","BP5027","Udovenko, Anatoly A.; Vasiliev, Alexander D.; Laptash, Natalia M.","Orientational disorder and phase transitions in crystals of dioxofluoromolybdate, (NH~4~)~2~MoO~2~F~4~","Acta Crystallographica Section B","2010","66","1","34","39","10.1107/S0108768109052987","","","0.71073","MoKα","","0.0248","0.0233","","","0.062","0.0626","","","","","","1.222","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104690","13.131","0.003","8.198","0.003","6.329","0.001","90","","90","","90","","681.3","0.3","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Tetramethylsilane","","","- C4 H12 Si -","- C4 H12 Si -","- C16 H48 Si4 -","4","0.5","OG5040","Wolf, Alexandra K.; Glinnemann, Jürgen; Fink, Lothar; Alig, Edith; Bolte, Michael; Schmidt, Martin U.","Predicted crystal structures of tetramethylsilane and tetramethylgermane and an experimental low-temperature structure of tetramethylsilane","Acta Crystallographica Section B","2010","66","2","229","236","10.1107/S0108768110003423","","","0.71073","MoKα","","0.1393","0.1229","","","0.3357","0.3547","","","","","","1.214","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104792","8.93178","0.00024","16.1181","0.0004","8.56656","0.00023","90","","90","","90","","1233.27","0.06","300","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cu O4 P Rb -","- Cu O4 P Rb -","- Cu12 O48 P12 Rb12 -","12","1.5","KD5046","Henry, Paul F.; Kimber, Simon A. J.; Argyriou, Dimitri N.","Polymorphism and piezochromicity in the three-dimensional network-based phosphate RbCuPO~4~","Acta Crystallographica Section B","2010","66","4","412","421","10.1107/S0108768110020720","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104952","8.167","0.01","5.101","0.006","9.957","0.011","90","","90","","90","","414.8","0.8","293","","293","","","","","","","","","2","P n m a","-P 2ac 2n","62","Rubidium sulfide","","","- Rb2 S -","- Rb2 S -","- Rb8 S4 -","4","0.5","WH5012","Santamaria-Perez, David; Vegas, Angel; Muehle, Claus; Jansen, Martin","High-pressure experimental study on Rb~2~S: antifluorite to Ni~2~In-type phase transitions","Acta Crystallographica Section B","2011","67","2","109","115","10.1107/S010876811005370X","powder diffraction","","","MoKα","","","","","","","","","","2.1646","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104993","19.92","0.012","19.88","0.013","13.386","0.009","90","","90","","90","","5301","6","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C5.38 H5.38 O24 Si12 -","- C5.397 H5.397 O24 Si12 -","- C43.176 H43.176 O192 Si96 -","8","1","DK5001","Kamiya, Natsumi; Iwama, Wataru; Kudo, Tomokazu; Nasuno, Tomomi; Fujiyama, Shinjiro; Nishi, Koji; Yokomori, Yoshinobu","Determining the structure of a benzene7.2-silicalite-1 zeolite using a single-crystal X-ray method","Acta Crystallographica Section B","2011","67","6","508","515","10.1107/S0108768111038560","","","0.71073","MoKα","","0.0568","0.0364","","","0.1193","0.1298","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105337","8.657","","4.982","","6.651","","90","","90","","90","","286.852","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ag Ba -","- Ag Ba -","- Ag4 Ba4 -","4","0.5","","Merlo, F.; Fornasini, M.L.","The structures of alpha-Ca Cu, beta-Ca Cu, Sr Ag and Ba Ag: Four different stacking variants based on noble-metal- centred trigonal prisms","Acta Crystallographica B (24,1968-38,1982)","1981","37","","500","503","10.1107/S0567740881003476","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2105343","10.01","","4.78","","19.32","","90","","90","","90","","924.419","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K2 (Ag I3)","","- Ag I3 K2 -","- Ag I3 K2 -","- Ag4 I12 K8 -","4","0.5","","Thackeray, M.M.; Coetzer, J.","Dipotassium silver triiodide","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2339","2340","10.1107/S0567740875007510","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105352","16.558","","4.788","","6.385","","90","","90","","90","","506.201","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ag Sr -","- Ag Sr -","- Ag8 Sr8 -","8","1","","Merlo, F.; Fornasini, M.L.","The structures of alpha-Ca Cu, beta-Ca Cu, Sr Ag and Ba Ag: Four different stacking variants based on noble-metal- centered trigonal prisms","Acta Crystallographica B (24,1968-38,1982)","1981","37","","500","503","10.1107/S0567740881003476","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2105360","6.8461","","5.132","","12.8232","","90","","90","","90","","450.533","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag2 Br N O3 -","- Ag2 Br N O3 -","- Ag8 Br4 N4 O12 -","4","0.5","","Holmberg, B.; Persson, K.","The crystal structure of Ag2 Br N O3","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3768","3772","10.1107/S0567740877012047","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2105361","6.6566","","5.1113","","12.4887","","90","","90","","90","","424.914","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag2 Cl N O3 -","- Ag2 Cl N O3 -","- Ag8 Cl4 N4 O12 -","4","0.5","","Persson, K.","Structure of disilver chloride nitrate","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1432","1435","10.1107/S0567740879006610","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2105413","5.741","","3.232","","6.634","","90","","90","","90","","123.093","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mo Co B","","- B Co Mo -","- B Co Mo -","- B4 Co4 Mo4 -","4","0.5","","Jeitschko, W.","The crystal structure of Mo Co B and related compounds","Acta Crystallographica B (24,1968-38,1982)","1968","24","","930","934","10.1107/S0567740868003432","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105417","10.057","","8.618","","4.49","","90","","90","","90","","389.154","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ni2 Nb B O6","","- B Nb Ni2 O6 -","- B Nb Ni2 O6 -","- B4 Nb4 Ni8 O24 -","4","0.5","","Modrick, M.A.; Ansell, G.B.; Wondre, F.R.; Wanklyn, B.M.; Leonowicz, M.E.","The Structure of Dinickel Niobium(V) Boron Oxide Ni2 Nb B O6","Acta Crystallographica B (24,1968-38,1982)","1982","38","","892","893","10.1107/S0567740882004300","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105622","15.236","0.002","6.618","0.001","11.379","0.001","90","","90","","90","","1147.4","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","E,2-(2-methylphenylhydrazono)-3-oxobutanenitrile","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","0.5","NA0097","Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone; Vaughan, Keith; Jollimore, Jason V.","Interplay of hydrogen bonding and other molecular interactions in determining the crystal packing of a series of <i>anti</i>-β-ketoarylhydrazones","Acta Crystallographica Section B","1999","55","6","994","1004","10.1107/S0108768199008435","","","0.71073","MoKα","","0.0896","0.0501","","","","0.1458","","","","","","1.025","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105659","10.27","0.002","7.946","0.001","13.935","0.002","90","","90","","90","","1137.2","0.3","295","2","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Br4 Cs2 Hg -","- Br4 Cs2 Hg -","- Br16 Cs8 Hg4 -","4","0.5","SH0100","Pinheiro, C. B.; Jório, A.; Pimenta, M. A.; Speziali, N. L.","Structural Analysis of Cs~2~HgBr~4~ in Normal, Incommensurate and Twinned Phases","Acta Crystallographica Section B","1998","54","3","197","203","10.1107/S0108768197012032","","","0.5608","AgKα","","","0.0454","","","0.0376","","","","","1.31","1.31","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105660","10.27","0.002","7.946","0.001","13.935","0.002","90","","90","","90","","1137.2","0.3","295","2","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Br4 Cs2 Hg -","- Br4 Cs2 Hg -","- Br16 Cs8 Hg4 -","4","0.5","SH0100","Pinheiro, C. B.; Jório, A.; Pimenta, M. A.; Speziali, N. L.","Structural Analysis of Cs~2~HgBr~4~ in Normal, Incommensurate and Twinned Phases","Acta Crystallographica Section B","1998","54","3","197","203","10.1107/S0108768197012032","","","0.5608","AgKα","","","0.041","","","0.0333","","","","","1.13","1.13","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105661","10.24","0.001","7.9","0.001","13.888","0.001","90","","90","","90","","1123.5","0.2","238","","235","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Br4 Cs2 Hg -","- Br4 Cs2 Hg -","- Br16 Cs8 Hg4 -","4","0.5","SH0100","Pinheiro, C. B.; Jório, A.; Pimenta, M. A.; Speziali, N. L.","Structural Analysis of Cs~2~HgBr~4~ in Normal, Incommensurate and Twinned Phases","Acta Crystallographica Section B","1998","54","3","197","203","10.1107/S0108768197012032","","","0.5608","AgKα","","","0.0413","","","0.049","","","","","1.6","1.6","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105673","9.789","0.003","7.541","0.003","13.418","0.003","90","","90","","90","","990.5","0.5","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cl4 Cs2 Hg -","- Cl4 Cs2 Hg -","- Cl16 Cs8 Hg4 -","4","0.5","SE0279","Bagautdinov, Bagautdin; Pilz, Katrin; Ludecke, Jens; van Smaalen, Sander","Modulated structures of Cs~2~HgCl~4~: the 5<i>a</i> superstructure at 185 K and the 3<i>c</i> superstructure at 176 K","Acta Crystallographica Section B","1999","55","6","886","895","10.1107/S0108768199008071","","","0.71073","multicolumn","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2105674","9.7729","0.0001","7.5276","0.0004","13.3727","0.0007","90","","90","","90","","983.78","0.07","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cl4 Cs2 Hg -","- Cl4 Cs2 Hg -","- Cl16 Cs8 Hg4 -","4","0.5","SE0279","Bagautdinov, Bagautdin; Pilz, Katrin; Ludecke, Jens; van Smaalen, Sander","Modulated structures of Cs~2~HgCl~4~: the 5<i>a</i> superstructure at 185 K and the 3<i>c</i> superstructure at 176 K","Acta Crystallographica Section B","1999","55","6","886","895","10.1107/S0108768199008071","","","0.7","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2105724","7.1507","0.0002","18.1353","0.0004","11.6447","0.0003","90","","90","","90","","1510.09","0.07","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H11 Co N O6 -","- C14 H11 Co N O6 -","- C56 H44 Co4 N4 O24 -","4","0.5","BI5024","Munn, Alexis S.; Clarkson, Guy J.; Walton, Richard I.","Distortions of a flexible metal-organic framework from substituted pendant ligands","Acta Crystallographica Section B","2014","70","1","11","18","10.1107/S2052520613027224","","","1.54178","CuKα","","0.055","0.0529","","","0.1341","0.1359","","","","","","1.081","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2105725","18.025","0.016","7.184","0.006","11.906","0.011","90","","90","","90","","1542","2","100","2","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H11.5 Co N O5.25 -","- C17 H11 Co N O5.25 -","- C68 H44 Co4 N4 O21 -","4","0.5","BI5024","Munn, Alexis S.; Clarkson, Guy J.; Walton, Richard I.","Distortions of a flexible metal-organic framework from substituted pendant ligands","Acta Crystallographica Section B","2014","70","1","11","18","10.1107/S2052520613027224","","","0.71073","MoKα","","0.0992","0.0896","","","0.154","0.1585","","","","","","1.113","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105777","17.3371","0.0005","12.6274","0.0004","6.3276","0.0002","90","","90","","90","","1385.25","0.07","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H4 I2 S6 -","- C8 H4 I2 S6 -","- C32 H16 I8 S24 -","4","0.5","BI5028","Lieffrig, Julien; Jeannin, Olivier; Vacher, Antoine; Lorcy, Dominique; Auban-Senzier, Pascale; Fourmigué, Marc","C—I···NC halogen bonding in two polymorphs of the mixed-valence 2:1 charge-transfer salt (EDT-TTF-I~2~)~2~(TCNQF~4~), with segregated <i>versus</i> alternated stacks","Acta Crystallographica Section B","2014","70","1","141","148","10.1107/S2052520613032629","","","0.71073","MoKα","","0.0231","0.0219","","","0.0426","0.043","","","","","","1.118","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105852","14.5652","0.0016","6.8755","0.0006","6.1405","0.0005","90","","90","","90","","614.93","0.1","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0501","0.0371","","","0.0888","0.0942","","","","","","1.068","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105853","14.486","0.007","6.7327","0.0004","5.9227","0.0003","90","","90","","90","","577.6","0.3","293","2","293","2","800000","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0543","0.0336","","","0.0659","0.0706","","","","","","1.019","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105854","14.424","0.015","6.6545","0.0008","5.8227","0.0005","90","","90","","90","","558.9","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0483","0.0266","","","0.0577","0.0651","","","","","","1.023","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105855","14.373","0.011","6.5671","0.0006","5.7306","0.0004","90","","90","","90","","540.9","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0453","0.0274","","","0.0571","0.0633","","","","","","1.095","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105856","14.289","0.018","6.4819","0.0008","5.6407","0.0006","90","","90","","90","","522.4","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.042","0.0268","","","0.0605","0.065","","","","","","1.084","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105857","14.227","0.014","6.4177","0.0006","5.5806","0.0005","90","","90","","90","","509.5","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0755","0.0456","","","0.1062","0.124","","","","","","1.186","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105989","12.047","0.003","4.4525","0.0011","11.023","0.003","90","","90","","90","","591.3","0.3","10","2","10","2","","","","","","","","4","P n m a","-P 2ac 2n","62","ammonium carbonate monohydrate","ammonium carbonate monohydrate","","- C H10 N2 O4 -","- C H10 N2 O4 -","- C4 H40 N8 O16 -","4","0.5","EB5035","Fortes, A. Dominic; Wood, Ian G.; Alfè, Dario; Hernández, Eduardo R.; Gutmann, Matthias J.; Sparkes, Hazel A.","Structure, hydrogen bonding and thermal expansion of ammonium carbonate monohydrate","Acta Crystallographica Section B","2014","70","6","948","962","10.1107/S205252061402126X","","","","neutron","","0.0914","0.0914","","","0.2589","0.2589","","","","","","1.082","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105990","12.056","0.003","4.4519","0.0011","11.016","0.003","90","","90","","90","","591.3","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","ammonium carbonate monohydrate","ammonium carbonate monohydrate","","- C H10 N2 O4 -","- C H10 N2 O4 -","- C4 H40 N8 O16 -","4","0.5","EB5035","Fortes, A. Dominic; Wood, Ian G.; Alfè, Dario; Hernández, Eduardo R.; Gutmann, Matthias J.; Sparkes, Hazel A.","Structure, hydrogen bonding and thermal expansion of ammonium carbonate monohydrate","Acta Crystallographica Section B","2014","70","6","948","962","10.1107/S205252061402126X","","","","neutron","","0.0939","0.0939","","","0.266","0.266","","","","","","1.093","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106024","7.133","","6.085","","15.062","","90","","90","","90","","653.756","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)2 S2 O5","","- H8 N2 O5 S2 -","- H8 N2 O5 S2 -","- H32 N8 O20 S8 -","4","0.5","","Baggio, S.","The Crystal Structure of Ammonium Pyrosulphite","Acta Crystallographica B (24,1968-38,1982)","1971","27","","517","522","","","","","","","","","","","","","","","","","","","","","","has coordinates","140353","2020-10-21","18:00:00",""
"2106085","6.592","","4.491","","8.206","","90","","90","","90","","242.936","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Pt Sc2 -","- Pt Sc2 -","- Pt4 Sc8 -","4","0.5","","Chabot, B.; Parthe, E.","Sc2 Pt with orthorhombic Ni2 Si structure type","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1745","1746","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106095","7.156","","4.124","","5.515","","90","","90","","90","","162.755","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ni Y -","- Ni Y -","- Ni4 Y4 -","4","0.5","","Klepp, K.; Parthe, E.","Yttrium-nickel Y Ni with the FeB structure type","Acta Crystallographica B (24,1968-38,1982)","1980","36","","3093","3094","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106103","15.585","","14.984","","21.632","","90","","90","","90","","5051.63","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ga39 Na22 -","- Ga39 Na22 -","- Ga156 Na88 -","4","0.5","","Ling, R.G.; Belin, C.","Structure of the intermetallic compound Na22 Ga39 (36.07% Na)","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1101","1104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106105","7.186","","4.813","","8.854","","90","","90","","90","","306.226","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd2 Pt -","- Gd2 Pt -","- Gd8 Pt4 -","4","0.5","","le Roy, J.; Moreau, J.M.; Paccard, D.; Parthe, E.","Structures of the rare-earth-platinum compounds R7 Pt3, R2 Pt, R5 Pt3 and R Pt","Acta Crystallographica B (24,1968-38,1982)","1978","34","","9","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106109","6.697","","4.3655","","10.999","","90","","90","","90","","321.564","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ho Zn3 -","- Ho Zn3 -","- Ho4 Zn12 -","4","0.5","","Michel, D.J.; Ryba, E.","The crystal structure of Ho Zn3","Acta Crystallographica B (24,1968-38,1982)","1968","24","","1267","1269","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106112","20.551","","15.535","","12.953","","90","","90","","90","","4135.37","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","K4 (Si Mo W11 O40) (H2 O)9","","- H18 K4 Mo O49 Si W11 -","- K4 Mo O49 Si W11 -","- K16 Mo4 O196 Si4 W44 -","4","0.5","","Robert, F.; Teze, A.; Herve, G.; Jeannin, Y.P.","The crystal structure of K4 (beta1-Si Mo W11 O40)*(H2 O)9","Acta Crystallographica B (24,1968-38,1982)","1980","36","","11","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106115","7.8796","","5.4209","","8.9704","","90","","90","","90","","383.166","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Hg S O4 (H2 O)","","- H2 Hg O5 S -","- H2 Hg O5 S -","- H8 Hg4 O20 S4 -","4","0.5","","Stalhandske, C.","An X-ray and neutron diffraction study of mercury(II) sulphate monohydrate","Acta Crystallographica B (24,1968-38,1982)","1980","36","","23","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106122","6.327","","10.62","","12.804","","90","","90","","90","","860.336","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Eu3 Ta As3 O","","- As3 Eu3 O Ta -","- As3 Eu3 O Ta -","- As12 Eu12 O4 Ta4 -","4","0.5","","Wang, Y.; Calvert, L.D.; Smart, M.L.; Taylor, J.B.","Structure of trieuropium triarsenide - tantalum oxide (1:1)","Acta Crystallographica B (24,1968-38,1982)","1980","36","","131","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106158","6.7","","4.398","","10.06","","90","","90","","90","","296.434","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Dy Zn3 -","- Dy Zn3 -","- Dy4 Zn12 -","4","0.5","","Michel, D.J.; Ryba, E.","The crystal structure of Ho Zn3","Acta Crystallographica B (24,1968-38,1982)","1968","24","","1267","1269","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106160","7.436","","14.776","","7.626","","90","","90","","90","","837.902","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ce5 Ir4 -","- Ce5 Ir4 -","- Ce20 Ir16 -","4","0.5","","Moreau, J.M.; Paccard, D.; le Roy, J.","Cerium-iridium Ce5 Ir3 and Cd5 Ir4","Acta Crystallographica B (24,1968-38,1982)","1980","36","","912","914","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106216","9.467","","9.938","","6.192","","90","","90","","90","","582.562","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","P O Br3","","- Br3 O P -","- Br3 O P -","- Br12 O4 P4 -","4","0.5","","Templeton, L.K.; Templeton, D.H.","The crystal structure of P O Br3. Space group and refinement by least squares","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1678","1679","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106220","6.707","","4.12","","8.025","","90","","90","","90","","221.754","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Na2 S -","- Na2 S -","- Na8 S4 -","4","0.5","","Vegas, A.; Grzechnik, A.; Syassen, K.; Hanfland, M.; Loa, I.; Jansen, M.","Reversible phase transitions in Na2 S under pressure: a comparison with the cation array in Na2 S O4","Acta Crystallographica B (39,1983-)","2001","57","","151","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106242","10.06","","12.715","","4.24","","90","","90","","90","","542.351","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","S3 (C N)2","","- C2 N2 S3 -","- C2 N2 S3 -","- C8 N8 S12 -","4","0.5","","Bats, J.W.","A refinement of dicyanotrisulfane at 100 K","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2264","2266","","","","","","","","","","","","","","","","","","","","","","has coordinates","148463","2020-10-21","18:00:00",""
"2106245","8.61","","5.445","","10.89","","90","","90","","90","","510.539","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Zr (S O4)2","","- O8 S2 Zr -","- O8 S2 Zr -","- O32 S8 Zr4 -","4","0.5","","Bear, I.J.; Mumme, W.G.","The crystal chemistry of zirconium sulphates. VI. The structure of alpha - Zr (S O4)2","Acta Crystallographica B (24,1968-38,1982)","1970","26","","1140","1145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106263","8.7021","","11.4769","","7.035","","90","","90","","90","","702.607","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K U2 F9","","- F9 K U2 -","- F9 K U2 -","- F36 K4 U8 -","4","0.5","","Brunton, G.","The crystal structure of K U2 F9","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1919","1921","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106265","13.767","","9.787","","7.059","","90","","90","","90","","951.113","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(N H4)2 (Rh Cl5 (H2 O))","","- Cl5 H10 N2 O Rh -","- Cl5 H10 N2 O Rh -","- Cl20 H40 N8 O4 Rh4 -","4","0.5","","Bugli, G.; Potvin, C.","Structure de l'aquapentachlororhodate(III) d'ammonium","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1394","1396","","","","","","","","","","","","","","","","","","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2106274","16.55","","4.053","","21.52","","90","","90","","90","","1443.5","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi3.78 Ce1.25 S8 -","- Bi3.78 Ce1.25 S8 -","- Bi15.12 Ce5 S32 -","4","0.5","","Ceolin, R.; Toffoli, P.; Khodadad, P.; Rodier, N.","Structure cristalline du sulfure mixte de cerium et de bismuth Ce1.25 Bi3.78 S8","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2804","2806","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106278","6.292","","4.025","","9.517","","90","","90","","90","","241.021","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sc Rh Si2","","- Rh Sc Si2 -","- Rh Sc Si2 -","- Rh4 Sc4 Si8 -","4","0.5","","Chabot, B.; Parthe, E.; Braun, H.F.; Yvon, K.","Rhodium scandium disilicide","Acta Crystallographica B (24,1968-38,1982)","1981","37","","668","671","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106300","8.131","","16.34","","4.142","","90","","90","","90","","550.308","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- La S2 -","- La S2 -","- La8 S16 -","8","1","","Dugue, J.; Carre, D.; Guittard, M.","Structure cristalline du polysulfure de lanthane La S2","Acta Crystallographica B (24,1968-38,1982)","1978","34","","403","406","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106343","18.28999","","17.67","","5.28","","90","","90","","90","","1706.41","","","","","","","","","","","","","8","P n m a","-P 2ac 2n","62","","Na0.08 Li7.28 Mg6.96 Fe6 (Al8.02 Si31.42 O88) (O H)8","","- Al8.02 Fe6 H8 Li7.28 Mg6.96 Na0.08 O96 Si31.42 -","- Al8.016 Fe6 Li7.28 Mg6.96 Na0.08 O96 Si31.424 -","- Al8.016 Fe6 Li7.28 Mg6.96 Na0.08 O96 Si31.424 -","1","0.125","","Irusteta, M.C.; Whittaker, E.J.W.","A three-dimensional refinement of the structure of holmquistite","Acta Crystallographica B (24,1968-38,1982)","1975","31","","145","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106344","13.355","","8.917","","6.621","","90","","90","","90","","788.472","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K2 (Be (C2 O4)2)","","- C4 Be K2 O8 -","- C4 Be K2 O8 -","- C16 Be4 K8 O32 -","4","0.5","","Jaber, M.; Faure, R.; Loiseleur, H.","Structure cristalline du bis(oxalato)beryllate de potassium : K2 (Be (C2 O4)2)","Acta Crystallographica B (24,1968-38,1982)","1978","34","","429","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106361","11.398","","4.155","","11.31","","90","","90","","90","","535.627","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd3 Ni Si2 -","- Gd3 Ni Si2 -","- Gd12 Ni4 Si8 -","4","0.5","","Klepp, K.O.; Parthe, E.","Orthorhombic gadolinium nickel silicide Gd3 Ni Si2 with a filled-up Hf3 P2 structure type","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1500","1504","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106397","6.69","","4.405","","10.111","","90","","90","","90","","297.966","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Y Zn3 -","- Y Zn3 -","- Y4 Zn12 -","4","0.5","","Michel, D.C.; Ryba, E.","The crystal structure of Ho Zn3","Acta Crystallographica B (24,1968-38,1982)","1968","24","","1267","1269","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106403","7.988","","12.244","","6.743","","90","","90","","90","","659.5","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","S4 N4 H4","","- H4 N4 S4 -","- H4 N4 S4 -","- H16 N16 S16 -","4","0.5","","Nabi, S.N.; Hursthouse, M.B.; Malik, K.M.A.","Tetrasulphurimide: a refinement","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2309","2310","","","","","","","","","","","","","","","","","","","","","","has coordinates","149645","2020-10-21","18:00:00",""
"2106414","13.944","","7.928","","7.041","","90","","90","","90","","778.369","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)3 Th F7","","- F7 H12 N3 Th -","- F7 N3 Th -","- F28 N12 Th4 -","4","0.5","","Penneman, R.A.; Ryan, R.R.; Kressin, I.K.","The Crystal Structure of Ammonium Heptafluorothorate, Ammonium Catena-di-mue-fluoro-pentafluorothorate(IV)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2279","2283","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106415","9.78","","16.32","","6.8","","90","","90","","90","","1085.34","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","P4 Se3 I2","","- I2 P4 Se3 -","- I2 P4 Se3 -","- I8 P16 Se12 -","4","0.5","","Penney, G.J.; Sheldrick, G.M.","The Crystal and Molecular Structure of Tetraphosphorus(II) Triselenodiiodide","Acta Crystallographica B (24,1968-38,1982)","1970","26","","2092","2095","","","","","","","","","","","","","","","","","","","","","","has coordinates","149732","2020-10-21","18:00:00",""
"2106519","20.105","","3.892","","15.432","","90","","90","","90","","1207.53","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Bi6 O7 F Cl3","","- Bi6 Cl3 F O7 -","- Bi6 Cl3 F O7 -","- Bi24 Cl12 F4 O28 -","4","0.5","","Hopfgarten, F.","The Crystal Structure of Bi6 O7 F Cl3","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1087","1092","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106527","11.4585","","7.7215","","7.2207","","90","","90","","90","","638.864","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Y2 Hf S5","","- Hf S5 Y2 -","- Hf S5 Y2 -","- Hf4 S20 Y8 -","4","0.5","","Jeitschko, W.; Donohue, P.C.","Y2 Hf S5 with ordered U3 Se5 type structure and related compounds","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1890","1895","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106528","5.947","","3.826","","7.051","","90","","90","","90","","160.433","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mn.997 Co0.974 Ge","","- Co0.974 Ge Mn0.997 -","- Co0.974 Ge Mn0.997 -","- Co3.896 Ge4 Mn3.988 -","4","0.5","","Jeitschko, W.","A high-temperature X-ray study of the displacive phase transition in Mn Co Ge","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1187","1190","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106529","5.316","","4.087","","7.079","","90","","90","","90","","153.802","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mn0.997 Co0.974 Ge","","- Co0.974 Ge Mn0.997 -","- Co0.974 Ge Mn0.997 -","- Co3.896 Ge4 Mn3.988 -","4","0.5","","Jeitschko, W.","A high-temperature X-ray study of the displacive phase transition in Mn Co Ge","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1187","1190","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106535","7.519","","10.203","","13.567","","90","","90","","90","","1040.81","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","Cu3 Na2 (Si O3)4","","- Cu3 Na2 O12 Si4 -","- Cu3 Na2 O12 Si4 -","- Cu12 Na8 O48 Si16 -","4","0.5","","Kawamura, K.; Kawahara, A.","Crystal structure of synthetic copper sodium silicate: Cu3 Na2 (Si4 O12)","Acta Crystallographica B (24,1968-38,1982)","1976","32","","2419","2422","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2106541","26.0701","","3.5198","","11.7869","","90","","90","","90","","1081.58","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Nb5 As3","","- As3 Nb5 -","- As3 Nb5 -","- As24 Nb40 -","8","1","","Laohavanich, S.; Thanomkul, S.; Pramatus, S.","Structure refinement of niobium arsenide Nb5 As3","Acta Crystallographica B (24,1968-38,1982)","1981","37","","227","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","151206","2020-10-21","18:00:00",""
"2106625","6.21664","0.00007","8.77789","0.00009","6.23629","0.00009","90","","90","","90","","340.308","0.007","298","1","298","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Ce O3 -","- Ba Ce O3 -","- Ba4 Ce4 O12 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106626","6.21664","0.00007","8.77789","0.00009","6.23629","0.00009","90","","90","","90","","340.308","0.007","298","1","298","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Ce O3 -","- Ba Ce O3 -","- Ba4 Ce4 O12 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.0796","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106627","6.21025","0.00007","8.76826","0.00009","6.22886","0.00009","90","","90","","90","","339.181","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.83 Ce0.95 O3 Pr0.17 -","- Ba0.83 Ce0.95 O3 Pr0.17 -","- Ba3.32 Ce3.8 O12 Pr0.68 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106628","6.21025","0.00007","8.76826","0.00009","6.22886","0.00009","90","","90","","90","","339.181","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.83 Ce0.95 O3 Pr0.17 -","- Ba0.83 Ce0.95 O3 Pr0.17 -","- Ba3.32 Ce3.8 O12 Pr0.68 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106629","6.21025","0.00007","8.76826","0.00009","6.22886","0.00009","90","","90","","90","","339.181","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Ce0.8 O3 Pr0.2 -","- Ba Ce0.8 O3 Pr0.2 -","- Ba4 Ce3.2 O12 Pr0.8 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106630","6.21025","0.00007","8.76826","0.00009","6.22886","0.00009","90","","90","","90","","339.181","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Ce0.8 O3 Pr0.2 -","- Ba Ce0.8 O3 Pr0.2 -","- Ba4 Ce3.2 O12 Pr0.8 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106631","6.21025","0.00007","8.76826","0.00009","6.22886","0.00009","90","","90","","90","","339.181","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Ce0.8 O3 Pr0.2 -","- Ba0.999 Ce0.799 O3 Pr0.2 -","- Ba3.996 Ce3.196 O12 Pr0.8 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106632","6.21025","0.00007","8.76826","0.00009","6.22886","0.00009","90","","90","","90","","339.181","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Ce0.8 O3 Pr0.2 -","- Ba0.999 Ce0.799 O3 Pr0.2 -","- Ba3.996 Ce3.196 O12 Pr0.8 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106633","6.20345","0.00007","8.75952","0.00009","6.22537","0.00009","90","","90","","90","","338.282","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.71 Ce0.92 O3 Pr0.29 -","- Ba0.71 Ce0.92 O3 Pr0.29 -","- Ba2.84 Ce3.68 O12 Pr1.16 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106634","6.20345","0.00007","8.75952","0.00009","6.22537","0.00009","90","","90","","90","","338.282","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.71 Ce0.92 O3 Pr0.29 -","- Ba0.71 Ce0.92 O3 Pr0.29 -","- Ba2.84 Ce3.68 O12 Pr1.16 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106635","6.20345","0.00007","8.75952","0.00009","6.22537","0.00009","90","","90","","90","","338.282","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Ce0.6 O3 Pr0.4 -","- Ba Ce0.6 O3 Pr0.4 -","- Ba4 Ce2.4 O12 Pr1.6 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106636","6.20345","0.00007","8.75952","0.00009","6.22537","0.00009","90","","90","","90","","338.282","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Ce0.6 O3 Pr0.4 -","- Ba Ce0.6 O3 Pr0.4 -","- Ba4 Ce2.4 O12 Pr1.6 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106637","6.20345","0.00007","8.75952","0.00009","6.22537","0.00009","90","","90","","90","","338.282","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.995 Ce0.597 O3 Pr0.4 -","- Ba0.995 Ce0.597 O3 Pr0.399 -","- Ba3.98 Ce2.388 O12 Pr1.596 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106638","6.20345","0.00007","8.75952","0.00009","6.22537","0.00009","90","","90","","90","","338.282","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.995 Ce0.597 O3 Pr0.4 -","- Ba0.995 Ce0.597 O3 Pr0.399 -","- Ba3.98 Ce2.388 O12 Pr1.596 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106639","6.19647","0.00007","8.74999","0.00009","6.22045","0.00009","90","","90","","90","","337.267","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.625 Ce0.9 O3 Pr0.375 -","- Ba0.625 Ce0.9 O3 Pr0.375 -","- Ba2.5 Ce3.6 O12 Pr1.5 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106640","6.19647","0.00007","8.74999","0.00009","6.22045","0.00009","90","","90","","90","","337.267","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.625 Ce0.9 O3 Pr0.375 -","- Ba0.625 Ce0.9 O3 Pr0.375 -","- Ba2.5 Ce3.6 O12 Pr1.5 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106641","6.19647","0.00007","8.74999","0.00009","6.22045","0.00009","90","","90","","90","","337.267","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Ce0.4 O3 Pr0.6 -","- Ba Ce0.4 O3 Pr0.6 -","- Ba4 Ce1.6 O12 Pr2.4 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106642","6.19647","0.00007","8.74999","0.00009","6.22045","0.00009","90","","90","","90","","337.267","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Ce0.4 O3 Pr0.6 -","- Ba Ce0.4 O3 Pr0.6 -","- Ba4 Ce1.6 O12 Pr2.4 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106643","6.19647","0.00007","8.74999","0.00009","6.22045","0.00009","90","","90","","90","","337.267","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.991 Ce0.396 O3 Pr0.594 -","- Ba0.991 Ce0.396 O3 Pr0.594 -","- Ba3.964 Ce1.584 O12 Pr2.376 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106644","6.19647","0.00007","8.74999","0.00009","6.22045","0.00009","90","","90","","90","","337.267","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.991 Ce0.396 O3 Pr0.594 -","- Ba0.991 Ce0.396 O3 Pr0.594 -","- Ba3.964 Ce1.584 O12 Pr2.376 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106645","6.18949","0.00007","8.74009","0.00009","6.21421","0.00009","90","","90","","90","","336.168","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.56 Ce0.886 O3 Pr0.44 -","- Ba0.56 Ce0.886 O3 Pr0.44 -","- Ba2.24 Ce3.544 O12 Pr1.76 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106646","6.18949","0.00007","8.74009","0.00009","6.21421","0.00009","90","","90","","90","","336.168","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.56 Ce0.886 O3 Pr0.44 -","- Ba0.56 Ce0.886 O3 Pr0.44 -","- Ba2.24 Ce3.544 O12 Pr1.76 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106647","6.18949","0.00007","8.74009","0.00009","6.21421","0.00009","90","","90","","90","","336.168","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Ce0.2 O3 Pr0.8 -","- Ba Ce0.2 O3 Pr0.8 -","- Ba4 Ce0.8 O12 Pr3.2 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106648","6.18949","0.00007","8.74009","0.00009","6.21421","0.00009","90","","90","","90","","336.168","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Ce0.2 O3 Pr0.8 -","- Ba Ce0.2 O3 Pr0.8 -","- Ba4 Ce0.8 O12 Pr3.2 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106649","6.18949","0.00007","8.74009","0.00009","6.21421","0.00009","90","","90","","90","","336.168","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.99 Ce0.2 O3 Pr0.79 -","- Ba0.985 Ce0.197 O3 Pr0.788 -","- Ba3.94 Ce0.788 O12 Pr3.152 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106650","6.18949","0.00007","8.74009","0.00009","6.21421","0.00009","90","","90","","90","","336.168","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.99 Ce0.2 O3 Pr0.79 -","- Ba0.985 Ce0.197 O3 Pr0.788 -","- Ba3.94 Ce0.788 O12 Pr3.152 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106666","8.923","","7.152","","9.548","","90","","90","","90","","609.328","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Na2 O)3 (B2 O3)3 (H2 O)2","","- B3 H2 Na3 O7 -","- B3 H2 Na3 O7 -","- B12 H8 Na12 O28 -","4","0.5","","Corazza, E.; Menchetti, S.; Sabelli, C.","The crystal structure of Na3 B3 O5 (O H)2","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1993","1997","","","","","","","","","","","","","","","","","","","","","","has coordinates","283803","2023-05-16","08:05:53",""
"2106669","7.036","","4.55","","5.663","","90","","90","","90","","181.294","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Pu Pd","","- Pd Pu -","- Pd Pu -","- Pd4 Pu4 -","4","0.5","","Cromer, D.T.","The structure of Pu Pd","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1760","1761","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106672","10.048","","8.531","","4.466","","90","","90","","90","","382.823","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Fe3 B O6","","- B Fe3 O6 -","- B Fe3 O6 -","- B4 Fe12 O24 -","4","0.5","","Diehl, R.; Brandt, G.","Refinement of the crystal structure of Fe3 B O6","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1662","1665","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106687","8.165","","6.464","","7.786","","90","","90","","90","","410.934","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Rb P O2 F2","","- F2 O2 P Rb -","- F2 O2 P Rb -","- F8 O8 P4 Rb4 -","4","0.5","","Granier, W.; Durand, J.; le Cot, L.; Galigne, J.L.","Etudes structurales de composes oxyfluores du P(V). IV. Structure de Rb P O2 F2","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2506","2507","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106702","9.25","","3.776","","11.89","","90","","90","","90","","415.294","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cd Cl2 (H2 O)","","- Cd Cl2 H2 O -","- Cd Cl2 O -","- Cd4 Cl8 O4 -","4","0.5","","Leligny, H.; Monier, J.C.","Structure cristalline de Cd Cl2 H2 O","Acta Crystallographica B (24,1968-38,1982)","1974","30","","305","309","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106725","7.232","","3.468","","14.82","","90","","90","","90","","371.694","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","In2 V O5","","- In2 O5 V -","- In2 O5 V -","- In8 O20 V4 -","4","0.5","","Senegas, J.; Manaud, J.P.; Galy, J.","Sur un nouveau type d'oxydes doubles M(IV) In2 O5 (M = Ti, V): etude cristallochimique","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1614","1618","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106742","13.38","","4.09","","5.66","","90","","90","","90","","309.739","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na (S C N)","","- C N Na S -","- C N Na S -","- C4 N4 Na4 S4 -","4","0.5","","van Rooyen, P.H.; Boeyens, J.C.A.","Sodium thiocyanate","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2933","2934","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106781","7.276","","14.332","","7.419","","90","","90","","90","","773.651","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Pu5 Rh4 -","- Pu5 Rh4 -","- Pu20 Rh16 -","4","0.5","","Cromer, D.T.","Plutonium-rhodium Pu5 Rh4","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1993","1995","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106783","8.794","","22.737","","12.86","","90","","90","","90","","2571.35","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K4 (Bi2 Br10) (H2 O)4","","- Bi2 Br10 H8 K4 O4 -","- Bi2 Br10 K4 O4 -","- Bi8 Br40 K16 O16 -","4","0.5","","Lazarini, F.","Potassium and ammonium decabromodibismuthate(III) tetrahydrate","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1954","1956","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106809","4.828","","6.004","","12.794","","90","","90","","90","","370.864","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs Be F3","","- Be Cs F3 -","- Be Cs F3 -","- Be4 Cs4 F12 -","4","0.5","","Steinfink, H.; Brunton, G.D.","The crystal structure of Cs Be F3","Acta Crystallographica B (24,1968-38,1982)","1968","24","","807","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106839","10.168","","4.577","","22.484","","90","","90","","90","","1046.38","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K Pb I3 (H2 O)2","","- H4 I3 K O2 Pb -","- H4 I3 K O2 Pb -","- H16 I12 K4 O8 Pb4 -","4","0.5","","Bedlivy, D.; Mereiter, K.","The Structures of Potassium Lead Triiodide Dihydrate and Ammonium Lead Triiodide Dihydrate","Acta Crystallographica B (24,1968-38,1982)","1980","36","","782","785","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106840","10.262","","4.611","","22.613","","90","","90","","90","","1070","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","N H4 Pb I3 (H2 O)2","","- H8 I3 N O2 Pb -","- I3 N O2 Pb -","- I12 N4 O8 Pb4 -","4","0.5","","Bedlivy, D.; Mereiter, K.","The Structures of Potassium Lead Triiodide Dihydrate and Ammonium Lead Triiodide Dihydrate","Acta Crystallographica B (24,1968-38,1982)","1980","36","","782","785","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106862","8.617","","11.274","","6.955","","90","","90","","90","","675.665","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na Np2 F9","","- F9 Na Np2 -","- F9 Na Np2 -","- F36 Na4 Np8 -","4","0.5","","Cousson, A.; Abazli, H.; Tabuteau, A.; Pages, M.","Dineptunium Sodium Nonafluoride","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1801","1803","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106878","8.433","","6.184","","10.911","","90","","90","","90","","569.005","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tl2 (S2 O3)","","- O3 S2 Tl2 -","- O3 S2 Tl2 -","- O12 S8 Tl8 -","4","0.5","","Andersson, J.; Bosson, B.","Thallium(I) thiosulphate","Acta Crystallographica B (24,1968-38,1982)","1976","32","","2225","2227","","","","","","","","","","","","","","","","","","","","","","has coordinates","161433","2020-10-21","18:00:00",""
"2106879","9.72","","5.63","","9.53","","90","","90","","90","","521.516","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Mn (S O3) (H2 O)3","","- H6 Mn O6 S -","- Mn O6 S -","- Mn4 O24 S4 -","4","0.5","","Baggio, R.F.; Baggio, S.","Crystal structure and chemical bonding of manganese(II) sulphite trihydrate","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1959","1962","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106887","8.103","","16.221","","4.093","","90","","90","","90","","537.979","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ce S2 -","- Ce S2 -","- Ce8 S16 -","8","1","","Marsh, R.E.; Herbstein, F.H.","Some additional changes in space groups of published crystal structures","Acta Crystallographica B (39,1983-)","1983","39","","280","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106896","7.8113","","8.1014","","9.947","","90","","90","","90","","629.471","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Cu8 Hf3 -","- Cu8 Hf3 -","- Cu32 Hf12 -","4","0.5","","Bsenko, L.","The crystal structure of Hf3 Cu8 and Zr3 Cu8","Acta Crystallographica B (24,1968-38,1982)","1976","32","","2220","2224","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106908","8.799","","5.319","","7.115","","90","","90","","90","","332.995","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sn S O4","","- O4 S Sn -","- O4 S Sn -","- O16 S4 Sn4 -","4","0.5","","Donaldson, J.D.; Puxley, D.C.","The crystal structure of tin(II) sulfate","Acta Crystallographica B (24,1968-38,1982)","1972","28","","864","867","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106922","12.55","","14.06","","9.528","","90","","90","","90","","1681.24","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Na3 (As O2 S2) (H2 O)11","","- As H22 Na3 O13 S2 -","- As H22 Na3 O13 S2 -","- As4 H88 Na12 O52 S8 -","4","0.5","","Jaulmes, S.; Palazzi, M.","Structure cristalline de Na3 As O2 S2 (H2 O)11","Acta Crystallographica B (24,1968-38,1982)","1976","32","","2119","2122","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106956","8.869","","9.292","","7.4","","90","","90","","90","","609.84","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","N2 H6 Ge F6 (H2 O)","","- F6 Ge H8 N2 O -","- F6 Ge H8 N2 O -","- F24 Ge4 H32 N8 O4 -","4","0.5","","Frlec, B.; Gantar, D.; Golic, L.; Leban, I.","Hydrazinium(2+) Hexafluorogermanate(IV) Monohydrate","Acta Crystallographica B (24,1968-38,1982)","1981","37","","666","668","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106967","10.15","","7.706","","13.7","","90","","90","","90","","1071.56","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 Mn Br4","","- Br4 Cs2 Mn -","- Br4 Cs2 Mn -","- Br16 Cs8 Mn4 -","4","0.5","","Goodyear, J.; Kennedy, D.J.; Steigmann, G.A.","The Crystal Structure of Cs2 Mn Br4","Acta Crystallographica B (24,1968-38,1982)","1972","28","","1231","1233","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107028","11.228","","12.329","","6.898","","90","","90","","90","","954.89","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4) H (C2 O4) (H2 O)0.5","","- C2 H6 N O4.5 -","- C2 H6 N O4.5 -","- C16 H48 N8 O36 -","8","1","","Kueppers, H.","The crystal structure of ammonium hydrogen oxalate hemihydrate","Acta Crystallographica B (24,1968-38,1982)","1973","29","","318","327","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107037","9.0134","","3.766","","13.9237","","90","","90","","90","","472.633","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pb Zr S3","","- Pb S3 Zr -","- Pb S3 Zr -","- Pb4 S12 Zr4 -","4","0.5","","Lelieveld, R.; Ijdo, D.J.W.","Lead zirconium sulphide","Acta Crystallographica B (24,1968-38,1982)","1978","34","","3348","3349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107052","7.7184","","5.8447","","7.1624","","90","","90","","90","","323.108","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(N D4) (N O3)","","- D4 N2 O3 -","- D4 N2 O3 -","- D16 N8 O12 -","4","0.5","","Lucas, B.W.; Ahtee, M.; Hewat, A.W.","The structure of phase III ammonium nitrate","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2005","2008","","","","","","","","","","","","","","","","","","","","","","has coordinates","165864","2020-10-21","18:00:00",""
"2107064","10.47","","3.641","","4.297","","90","","90","","90","","163.807","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ge S -","- Ge S -","- Ge4 S4 -","4","0.5","","Bissert, G.; Hesse, K.F.","Verfeinerung der Struktur von Germanium(II)-sulfid, Ge S","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1322","1323","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107070","6.126","","4.365","","10.136","","90","","90","","90","","271.037","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sn Cl F","","- Cl F Sn -","- Cl F Sn -","- Cl4 F4 Sn4 -","4","0.5","","Geneys, C.; Vilminot, S.; le Cot, L.","Etude structurale de chlorofluorure d'etain(II), Sn Cl F","Acta Crystallographica B (24,1968-38,1982)","1976","32","","3199","3202","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107071","5.719","","3.697","","6.084","","90","","90","","90","","128.635","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ge Pt -","- Ge Pt -","- Ge4 Pt4 -","4","0.5","","Graeber, E.J.; Morosin, B.; Baughman, R.J.","Crystal structure and linear thermal expansitivities of platinum silicide and platinum germanide","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1991","1994","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107103","8.627","","3.512","","9.863","","90","","90","","90","","298.829","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na2 (B O2 (O H))","","- B H Na2 O3 -","- B H Na2 O3 -","- B4 H4 Na8 O12 -","4","0.5","","Menchetti, S.; Sabelli, C.","Structure of Hydrated Sodium Borate Na2 (B O2 (O H))","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1282","1285","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107116","14.289","","12.777","","6.038","","90","","90","","90","","1102.36","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","N3 P3 Cl5 F","","- Cl5 F N3 P3 -","- Cl5 F N3 P3 -","- Cl20 F4 N12 P12 -","4","0.5","","Olthof, R.","The Crystal Structure of Compounds with (P-N)n rings. VI. Fluoropentachlorocyclotriphosphazene","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2040","2045","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107120","8.409","","7.242","","8.089","","90","","90","","90","","492.604","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs (Os O3 N)","","- Cs N O3 Os -","- Cs N O3 Os -","- Cs4 N4 O12 Os4 -","4","0.5","","Pastuszak, R.; l'Haridon, P.; Marchand, R.; Laurent, Y.","Structure du nitrurotrioxoosmate(VIII) de cesium, Cs Os O3 N; Comparaison avec Ba S O4","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1427","1430","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107128","8.868","","12.126","","8.452","","90","","90","","90","","908.872","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ni Te2 O5","","- Ni O5 Te2 -","- Ni O5 Te2 -","- Ni8 O40 Te16 -","8","1","","Platte, C.; Troemel, M.","Nickelditellurat(IV): Sauerstoffkoordinationszahl Fuenf am vierwertigen Tellur","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1276","1278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107131","7.873","","12.858","","7.39","","90","","90","","90","","748.097","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","S6 (N H)2","","- H2 N2 S6 -","- H2 N2 S6 -","- H8 N8 S24 -","4","0.5","","Postma, H.J.; van Bolhuis, F.; Vos, A.","The N-S bond lengths in the isomers S6 (N H)2. Refinement of the crystal structure of S6 (N H)2 -II","Acta Crystallographica B (24,1968-38,1982)","1973","29","","915","917","","","","","","","","","","","","","","","","","","","","","","has coordinates","167076","2020-10-21","18:00:00",""
"2107133","7.156","","3.636","","21.52","","90","","90","","90","","559.934","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Hg2 V2 O7","","- Hg2 O7 V2 -","- Hg2 O7 V2 -","- Hg8 O28 V8 -","4","0.5","","Quarton, M.; Angenault, J.; Rimsky, A.","Structure cristalline de alpha-Hg2 V2 O7","Acta Crystallographica B (24,1968-38,1982)","1973","29","","567","573","","","","","","","","","","","","","","","","","","","","","","has coordinates","167102","2020-10-21","18:00:00",""
"2107161","12.121","","9.527","","8.553","","90","","90","","90","","987.673","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ba3 Si S5","","- Ba3 S5 Si -","- Ba3 S5 Si -","- Ba12 S20 Si4 -","4","0.5","","Schmitz, D.","Vergleich der Kristallstrukturen von (N H4)3 Zn Cl5 und Ba3 Si S5","Acta Crystallographica B (24,1968-38,1982)","1981","37","","518","525","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107162","8.716","","9.887","","12.625","","90","","90","","90","","1087.96","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)3 (Zn Cl4) Cl","","- Cl5 H12 N3 Zn -","- Cl5 H12 N3 Zn -","- Cl20 H48 N12 Zn4 -","4","0.5","","Schmitz, D.","Vergleich der Kristallstrukturen von (N H4)3 Zn Cl5 und Ba3 Si S5","Acta Crystallographica B (24,1968-38,1982)","1981","37","","518","525","","","","","","","","","","","","","","","","","","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2107171","6.697","","4.3655","","10.099","","90","","90","","90","","295.252","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ho Zn3 -","- Ho Zn3 -","- Ho4 Zn12 -","4","0.5","","Michel, D.J.; Ryba, E.","The crystal structure of Ho Zn3","Acta Crystallographica B (24,1968-38,1982)","1968","24","","1267","1269","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107192","5.725","","8.409","","8.72","","90","","90","","90","","419.794","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","U O2 Cl2","","- Cl2 O2 U -","- Cl2 O2 U -","- Cl8 O8 U4 -","4","0.5","","Taylor, J.C.; Wilson, P.W.","The structure of anhydrous uranyl chloride by powder neutron diffraction","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1073","1076","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107195","10.908","","7.291","","11.069","","90","","90","","90","","880.32","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","N S2 Al Cl4","","- Al Cl4 N S2 -","- Al Cl4 N S2 -","- Al4 Cl16 N4 S8 -","4","0.5","","Thewalt, U.; Berhalter, K.; Mueller, P.","Dithionitryl-tetrachloroaluminat","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1280","1282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107201","13.809","","15.087","","25.184","","90","","90","","90","","5246.74","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","K7 Ga Pb W11 O39 (H2 O)16","","- Ga H32 K7 O55 Pb W11 -","- Ga K7 O54 Pb W11 -","- Ga4 K28 O216 Pb4 W44 -","4","0.5","","Tourne, G.F.; Tourne, C.M.; Schouten, A.","Plomb(II)undecatungstogallate(III)(7-) de Potassium Hexadecahydrate","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1414","1418","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107205","10.8523","","6.27431","","5.15807","","90","","90","","90","","351.217","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li3 Zn.5 (Ge O4)","","- Ge Li3 O4 Zn0.5 -","- Ge Li3.012 O4 Zn0.499 -","- Ge4 Li12.048 O16 Zn1.996 -","4","0.5","","Abrahams, I.; Bruce, P.G.; David, W.I.F.; West, A.R.","A re-examination of the lisicon structure using highresolution powder neutron diffraction: Evidence for defect clustering","Acta Crystallographica B (39,1983-)","1989","45","","457","462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107207","10.8714","","6.2606","","5.1258","","90","","90","","90","","348.87","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li3.5 (Ge.5 V.5) O4","","- Ge0.5 Li3.5 O4 V0.5 -","- Ge0.5 Li3.502 O4 V0.5 -","- Ge2 Li14.008 O16 V2 -","4","0.5","","Abrahams, I.; Bruce, P.G.","Defect clustering in the superionic conductor lithium germanium vanadate","Acta Crystallographica B (39,1983-)","1991","47","","696","701","","","","","","","","","","","","","","","","","","","","","","has coordinates","168306","2020-10-21","18:00:00",""
"2107208","10.9326","","6.3016","","5.1593","","90","","90","","90","","355.439","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li3.504 (Ge.5 V.5) O4","","- Ge0.5 Li3.504 O4 V0.5 -","- Ge0.5 Li3.504 O4 V0.5 -","- Ge2 Li14.016 O16 V2 -","4","0.5","","Abrahams, I.; Bruce, P.G.","Defect clustering in the superionic conductor lithium germanium vanadate","Acta Crystallographica B (39,1983-)","1991","47","","696","701","","","","","","","","","","","","","","","","","","","","","","has coordinates","168310","2020-10-21","18:00:00",""
"2107245","14.463","","13.41","","6.601","","90","","90","","90","","1280.26","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","N3 P3 Br6","","- Br6 N3 P3 -","- Br6 N3 P3 -","- Br24 N12 P12 -","4","0.5","","Zoer, H.; Wagner, A.J.","The Crystal Structure of Compounds with (N-P)n Rings. VII. Refinement of the Crystal Structure of Hexabromo-cyclotriphosphazene, N3 P3 Br6","Acta Crystallographica B (24,1968-38,1982)","1970","26","","1812","1819","","","","","","","","","","","","","","","","","","","","","","has coordinates","169131","2020-10-21","18:00:00",""
"2107251","16.76","","4.09","","17.396","","90","","90","","90","","1192.47","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Bi2 Tl4 S5","","- Bi2 S5 Tl4 -","- Bi2 S5 Tl4 -","- Bi8 S20 Tl16 -","4","0.5","","Julien-Pouzol, M.; Jaulmes, S.; Laruelle, P.","Structure cristalline du sulfure de bismuth et thallium Tl4 Bi2 S5","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1313","1315","","","","","","","","","","","","","","","","","","","","","","has coordinates","169383","2020-10-21","18:00:00",""
"2107306","8.1895","","9.4202","","11.9753","","90","","90","","90","","923.855","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Bi3 Y5 -","- Bi3 Y5 -","- Bi12 Y20 -","4","0.5","","Wang, Y.; Calvert, L.D.; Gabe, E.J.; Taylor, J.B.","Crystal structure of Y5 Bi3 and its relation to the Yb5 Sb3 type structures","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1440","1445","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107312","7.57","","7.341","","7.754","","90","","90","","90","","430.9","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","W O3","","- O3 W -","- O3 W -","- O24 W8 -","8","1","","Salje, E.","The orthorhombic phase of W O3","Acta Crystallographica B (24,1968-38,1982)","1977","33","","574","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107399","14.508","","5.471","","8.667","","90","","90","","90","","687.928","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","N H4 Fe (Cr O4)2","","- Cr2 Fe H4 N O8 -","- Cr2 Fe N O8 -","- Cr8 Fe4 N4 O32 -","4","0.5","","Hardy, A.M.; Gaboriaud, F.","La serie M(I) M(III) (X O4)2 (H2 O)n. Structure cristalline du chromate de fer et d'ammonium, N H4 Fe (Cr O4)2 beta","Acta Crystallographica B (24,1968-38,1982)","1972","28","","2329","2332","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107508","11.4422","0.00009","4.13054","0.00004","4.449","0.00005","90","","90","","90","","210.271","0.004","100","5","100","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50023","Synchrotron,monochromatic","","0.0115","0.0115","","0.0109","0.0109","","","","2.3","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107509","11.46438","0.0001","4.13865","0.00004","4.44651","0.00006","90","","90","","90","","210.974","0.004","200","5","200","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50023","Synchrotron,monochromatic","","0.0132","0.0132","","0.0124","0.0124","","","","2.41","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107510","11.48933","0.00012","4.14894","0.00005","4.44118","0.00007","90","","90","","90","","211.705","0.005","275","5","275","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50023","Synchrotron,monochromatic","","0.0209","0.0209","","0.0167","0.0167","","","","2.46","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107511","11.49417","0.00012","4.15096","0.00005","4.44175","0.00007","90","","90","","90","","211.924","0.005","300","5","300","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50021","Synchrotron,monochromatic","","0.0183","0.0183","","0.0152","0.0152","","","","1.59","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107512","11.51746","0.00014","4.16192","0.00006","4.43267","0.00008","90","","90","","90","","212.479","0.006","370","5","370","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50023","Synchrotron,monochromatic","","0.0154","0.0154","","0.012","0.012","","","","2.76","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107513","11.51965","0.00014","4.16265","0.00006","4.43427","0.00008","90","","90","","90","","212.633","0.006","380","5","380","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50021","Synchrotron,monochromatic","","0.0171","0.0171","","0.0126","0.0126","","","","1.65","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107514","11.54547","0.00015","4.17619","0.00006","4.42402","0.00009","90","","90","","90","","213.309","0.006","465","5","465","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50021","Synchrotron,monochromatic","","0.0244","0.0244","","0.0155","0.0155","","","","1.68","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107515","11.57949","0.00014","4.19611","0.00005","4.40769","0.00008","90","","90","","90","","214.164","0.005","560","5","560","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50021","Synchrotron,monochromatic","","0.0278","0.0278","","0.015","0.015","","","","1.64","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107516","11.62","0.00013","4.22357","0.00006","4.38333","0.00007","90","","90","","90","","215.125","0.005","655","5","655","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50021","Synchrotron,monochromatic","","0.0348","0.0342","","0.015","0.0148","","","","1.75","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107517","11.64398","0.00013","4.24224","0.00005","4.36522","0.00007","90","","90","","90","","215.627","0.005","705","5","705","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50021","Synchrotron,monochromatic","","0.0314","0.0307","","0.0132","0.0128","","","","1.81","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107518","11.67175","0.00014","4.26761","0.00006","4.33976","0.00007","90","","90","","90","","216.166","0.005","755","5","755","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50021","Synchrotron,monochromatic","","0.0417","0.0381","","0.0146","0.014","","","","1.99","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107519","11.70577","0.00016","4.30722","0.00016","4.29911","0.00016","90","","90","","90","","216.758","0.012","805","5","805","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50021","Synchrotron,monochromatic","","0.058","0.0454","","0.0158","0.0156","","","","2.26","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2108051","14.563","0.005","6.748","0.002","23.299","0.009","90","","90","","90","","2289.6","1.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H23 N3 O10 S2 -","- C20.0004 H23.0012 N3 O10 S2.0002 -","- C80.0016 H92.0048 N12 O40 S8.0008 -","4","0.5","XK5034","Ikemoto, Kazuto; Mori, Shigeki; Mukai, Kazuo","Synthesis and crystal structure of pyrroloquinoline quinol (PQQH~2~) and pyrroloquinoline quinone (PQQ)","Acta Crystallographica Section B","2017","73","3","489","497","10.1107/S2052520617002281","","","0.71075","MoKα","","0.0637","0.0602","","","0.1319","0.1343","","","","","","1.07","","","","has coordinates,has disorder","199045","2020-10-21","18:00:00",""
"2108114","24.0549","0.0003","4.1291","0.0006","11.3361","0.0016","90","0.005","90","0.006","90","0.005","1126","0.2","297.4","","297.4","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cu0.966 Pb13.196 S24 Sb6.804 -","- Cu0.956 Pb13.1548 S24 Sb6.8448 -","- Cu0.956 Pb13.1548 S24 Sb6.8448 -","1","0.125","XK5035","Bindi, Luca; Petříček, Václav; Biagioni, Cristian; Plášil, Jakub; Moëlo, Yves","Could incommensurability in sulfosalts be more common than thought? The case of meneghinite, CuPb~13~Sb~7~S~24~","Acta Crystallographica Section B","2017","73","3","369","376","10.1107/S2052520617002657","","x-ray","0.71073","MoKα","","0.0682","0.0479","","","0.1076","0.1145","","","","2.21","2.21","1.97","","","","has coordinates,has Fobs","199060","2020-10-21","18:00:00",""
"2108392","7.369","0.0018","3.9249","0.001","5.698","0.009","90","","90","","90","","164.8","0.3","293","","293","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ge Te -","- Ge Te -","- Ge4 Te4 -","4","0.5","","Herrmann, Markus Guido; Stoffel, Ralf Peter; Küpers, Michael; Ait Haddouch, Mohammed; Eich, Andreas; Glazyrin, Konstantin; Grzechnik, Andrzej; Dronskowski, Richard; Friese, Karen","New insights on the GeSe<i>~{ıt x~</i>}Te~1{-~<i>x</i>} phase diagram from theory and experiment","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619001847","","Synchrotron","0.2905","synchrotron","","0.0472","0.0465","","","0.0532","0.0536","","","","2.4","2.4","2.39","","","","has coordinates","214414","2020-10-21","18:00:00",""
"2108457","21.246","0.005","4.2897","0.0009","9.5257","0.0012","90","","90","","90","","868.2","0.3","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","daliranite","","","- As2 Hg Pb S5 -","- As2 Hg Pb S5 -","- As8 Hg4 Pb4 S20 -","4","0.5","","Lanza, Arianna E.; Gemmi, Mauro; Bindi, Luca; Mugnaioli, Enrico; Paar, Werner H.","Daliranite, PbHgAs~2~S~5~: determination of the incommensurately modulated structure and revision of the chemical formula","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007340","","electron","0.0335","electron","","0.3222","0.2435","","","0.2946","0.3025","","","","16.27","16.27","13.93","","","","has coordinates,has Fobs","217346","2020-10-21","18:00:00",""
"2108458","21.246","0.005","4.2897","0.0009","9.5257","0.0012","90","","90","","90","","868.2","0.3","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As2 Hg Pb S5 -","- As2 Hg Pb S5 -","- As8 Hg4 Pb4 S20 -","4","0.5","","Lanza, Arianna E.; Gemmi, Mauro; Bindi, Luca; Mugnaioli, Enrico; Paar, Werner H.","Daliranite, PbHgAs~2~S~5~: determination of the incommensurately modulated structure and revision of the chemical formula","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007340","","electron","0.0335","electron","","0.3818","0.2715","","","0.2989","0.3097","","","","12.87","12.87","10.7","","","","has coordinates,has Fobs","217346","2020-10-21","18:00:00",""
"2108544","11.5018","0.0001","8.5736","0.0001","33.4597","0.0004","90","","90","","90","","3299.52","0.06","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","ammonium tantalum oxide fluoride","","","- F7.5 H11 N2.75 O0.125 Ta -","- F30.5146 N11 Ta4.001 -","- F122.058 N44 Ta16.004 -","4","0.5","","Udovenko, Anatoly A.; Laptash, Natalia M.","Ammonium tantalum oxide fluorides: new features of dynamic disorder","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013994","","","0.71073","MoKα","","0.0402","0.0331","","","0.0857","0.0901","","","","","","1.097","","","","has coordinates,has Fobs","231196","2020-10-21","18:00:00",""
"2108605","13.0248","0.0005","21.7653","0.0012","10.421","0.004","90","","90","","90","","2954.2","1.2","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H36 Cl N2 O3 Re -","- C29 H36 Cl N2 O3 Re -","- C116 H144 Cl4 N8 O12 Re4 -","4","0.5","","Kia, Reza; Kalaghchi, Azadeh","Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004333","","","0.71073","MoKα","","0.0322","0.0246","","","0.0475","0.0502","","","","","","1.045","","","","has coordinates,has Fobs","252090","2020-10-21","18:00:00",""
"2108647","7.20378","0.00002","15.57492","0.00005","8.63406","0.00003","90","","90","","90","","968.727","0.005","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dieuropium tricalcium tetraborate","","- B4 Ca3 Eu2 O12 -","- B4 Ca2.9999 Eu2.0001 O12 -","- B16 Ca11.9996 Eu8.0004 O48 -","4","0.5","","Kosyl, Katarzyna M.; Paszkowicz, Wojciech; Shekhovtsov, Alexey N.; Kosmyna, Miron B.; Antonowicz, Jerzy; Olczak, Adam; Fitch, Andrew N.","Variation of cation distribution with temperature and its consequences on thermal expansion for Ca~3~Eu~2~(BO~3~)~4~","Acta Crystallographica Section B","2020","76","4","554","562","10.1107/S2052520620006757","powder diffraction","","0.400218","synchrotron","","","","","","","","","6.735","4.809","","","","","","","has coordinates","255153","2020-10-21","18:00:00",""
"2108692","5.558528","","7.837216","","5.547272","","90","","90","","90","","241.658","","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","Lanthanum calcium ferrite","Lanthanum calcium iron oxide","","- Ca0.1 Fe La0.9 O3 -","- Ca0.104583 Fe La0.895417 O3 -","- Ca0.418332 Fe4 La3.58167 O12 -","4","0.5","","Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph","Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013475","powder diffraction","x-ray","1.5406","CuKα~1+2~","","","","","","","","","0.0460144","1.60464","","","","","","","has coordinates","259224","2020-11-24","05:07:20",""
"2108693","5.506428","","7.77618","","5.529845","","90","","90","","90","","236.782","","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","Lanthanum calcium ferrite","Lanthanum calcium iron oxide","","- Ca0.4 Fe La0.6 O3 -","- Ca0.4 Fe La0.6 O3 -","- Ca1.6 Fe4 La2.4 O12 -","4","0.5","","Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph","Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013475","powder diffraction","x-ray","1.5406","CuKα~1+2~","","","","","","","","","0.036557","1.48223","","","","","","","has coordinates","259224","2020-11-24","05:07:25",""
"2108694","5.568011","","7.756535","","5.451495","","90","","90","","90","","235.442","","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","Neodymium calcium ferrite","Neodymium calcium iron oxide","","- Ca0.1 Fe Nd0.9 O3 -","- Ca0.1 Fe Nd0.9 O3 -","- Ca0.4 Fe4 Nd3.6 O12 -","4","0.5","","Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph","Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013475","powder diffraction","x-ray","1.5406","CuKα~1+2~","","","","","","","","","0.0425535","1.37614","","","","","","","has coordinates","259224","2020-11-24","05:07:28",""
"2108695","5.533425","","7.725984","","5.448728","","90","","90","","90","","232.939","","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","Neodymium calcium ferrite","Neodymium calcium iron oxide","","- Ca0.4 Fe Nd0.6 O3 -","- Ca0.396764 Fe Nd0.603236 O3 -","- Ca1.58706 Fe4 Nd2.41294 O12 -","4","0.5","","Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph","Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013475","powder diffraction","x-ray","1.5406","CuKα~1+2~","","","","","","","","","0.0111142","1.17277","","","","","","","has coordinates","259224","2020-11-24","05:07:37",""
"2200060","10.471","0.0004","9.37","0.0003","12.35","0.0004","90","","90","","90","","1211.7","0.07","150","","110","","","","","","","","","4","P n m a","-P 2ac 2n","62","","3-ethoxycarbonyl- 2,2,5,5-tetramethyl-1H-2,5-dihydropyrrol-1-yloxyl","","- C11 H18 N O3 -","- C11 H18 N O3 -","- C44 H72 N4 O12 -","4","0.5","NA6018","Duskova, Jarmila; Jiri Labsky; Jindrich Hasek; Ivana Cisarova","3-Ethoxycarbonyl-2,2,5,5-tetramethyl-1<i>H</i>-2,5-dihydropyrrol-1-yloxyl","Acta Crystallographica Section E","2001","57","1","o85","o86","10.1107/S1600536800019334","","","0.7107","MoKα","","0.056","0.044","","","","0.152","","","","","","1.215","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200192","16.624","0.0005","26.0007","0.0016","8.2207","0.0007","90","","90","","90","","3553.3","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","4,8,9,10-Tetra(4-methoxyphenyl)-1,3-diazaadamantan-6-one-benzene solvate","","- C42 H42 N2 O5 -","- C42 H42 N2 O5 -","- C168 H168 N8 O20 -","4","0.5","NA6059","Krishnakumar, R. V.; Vijayakumar, V.; Sundaravadivelu, M.; Natarajan, S.; Perumal, S.; Selvaraj, S.","4,8,9,10-Tetrakis(4-methoxyphenyl)-1,3-diazaadamantan-6-one benzene solvate","Acta Crystallographica Section E","2001","57","4","o305","o306","10.1107/S1600536801003956","","","1.5418","CuKα","","0.1083","0.0662","","","","0.1913","","","","","","1.134","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200198","13.32","0.006","7.253","0.002","9.42","0.003","90","","90","","90","","910.1","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Sodium bromoaurate dihydrate","Sodium tetrabromoaurate(III) dihydrate","","- Au Br4 H4 Na O2 -","- Au Br4 H4 Na O2 -","- Au4 Br16 H16 Na4 O8 -","4","0.5","OB6012","Welter, Richard; Omrani, Hedi; Vangelisti, Rene","Sodium tetrabromoaurate(III) dihydrate","Acta Crystallographica Section E","2001","57","2","i8","i9","10.1107/S1600536800021140","","","0.5608","AgKα","","0.1","0.049","","","","0.097","","","","","","1.086","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200338","12.6157","0.0004","8.2419","0.0004","7.5397","0.0008","90","","90","","90","","783.96","0.09","120","","120","","","","","","","","","4","P n m a","-P 2ac 2n","62","","trimethylsulfonium methanesulfonate","","- C4 H12 O3 S2 -","- C4 H12 O3 S2 -","- C16 H48 O12 S8 -","4","0.5","OM6021","Fronczek, Frank R.; Johnson, Rolanda J.; Strongin, Robert M.","Trimethylsulfonium methanesulfonate","Acta Crystallographica Section E","2001","57","5","o447","o448","10.1107/S1600536801006651","","","0.71073","MoKα","","0.074","0.039","","","","0.089","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200403","6.9944","0.001","5.8925","0.0008","8.2495","0.0011","90","","90","","90","","340","0.08","299","2","299","2","","","","","","","","4","P n m a","-P 2ac 2n","62","lead gallium borate","","","- B Ga O4 Pb -","- B Ga O4 Pb -","- B4 Ga4 O16 Pb4 -","4","0.5","","Park, Hyunsoo; Jacques Barbier","PbGaBO~4~, an orthoborate with a new structure-type","Acta Crystallographica, Section E","2001","57","","i82","i84","10.1107/S1600536801013940","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2200408","14.9803","0.0007","15.0682","0.0008","22.6217","0.0012","90","","90","","90","","5106.3","0.5","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","tetradimethylammonium hexahydroxytriacontaoxo- (tetraoxophosphato)dodecamolybdate dichloride","","- C8 H44 Cl2 Mo12 N4 O44 P -","- C8 H24 Cl2 Mo12 N4 O44 P -","- C32 H96 Cl8 Mo48 N16 O176 P4 -","4","0.5","CF6065","Wu, Chuan-De; Lu, Can-Zhong; Lin, Xiang; Yang, Wen-Bin; Zhuang, Hong-Hui; Huang, Jin-Shun","[(CH~3~)~2~NH~2~]~4~[H~4~PMo~12~O~40~]Cl~2~·4H~2~O","Acta Crystallographica Section E","2001","57","9","m390","m392","10.1107/S1600536801010467","","","0.71073","MoKα","","0.0449","0.0338","","","","0.0898","","","","","","1.103","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200588","9.483","0.002","13.03","0.003","5.339","0.001","90","","90","","90","","659.7","0.2","293","2","293","2","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","flinkite","","Flinkite","- As H4 Mn3 O8 -","- As H4 Mn3 O8 -","- As4 H16 Mn12 O32 -","4","0.5","","Kolitsch, Uwe","Redetermination of the mixed-valence manganese arsenate flinkite, Mn^II^~2~Mn^III^(OH)~4~(AsO~4~)","Acta Crystallographica, Section E","2001","57","","i115","i118","10.1107/S1600536801020050","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2200589","7.646","0.002","6.179","0.001","9.507","0.002","90","","90","","90","","449.15","0.17","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","pyrobelonite","","","- H Mn O5 Pb V -","- H Mn O5 Pb V -","- H4 Mn4 O20 Pb4 V4 -","4","0.5","","Kolitsch, Uwe","Refinement of pyrobelonite, PbMn^II^VO~4~(OH), a member of the descloizite group","Acta Crystallographica, Section E","2001","57","","i119","i121","10.1107/S1600536801020037","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2200616","18.1968","0.0013","7.2601","0.0005","6.7498","0.0003","90","","90","","90","","891.72","0.1","150","2","150","2","","","","","","","","2","P n m a","-P 2ac 2n","62","γ-Terpinene","1-isopropyl-4-methyl-1,4-cyclohexadiene","","- C10 H16 -","- C10 H16 -","- C40 H64 -","4","0.5","CF6113","Bond, Andrew D.; Davies, John E.","γ-Terpinene","Acta Crystallographica Section E","2001","57","11","o1032","o1033","10.1107/S1600536801016920","","","0.7107","MoKα","","0.0692","0.0489","","","","0.1393","","","","","","1.062","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200730","15.284","0.0004","13.9364","0.0004","6.0585","0.0002","90","","90","","90","","1290.48","0.07","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H9 As O S3 -","- C12 H9 As O S3 -","- C48 H36 As4 O4 S12 -","4","0.5","OB6094","Mahalakshmi, H.; Jain, Vimal K.; Tiekink, Edward R. T.","Tri(2-thienyl)arsine oxide","Acta Crystallographica Section E","2001","57","12","o1222","o1223","10.1107/S160053680101978X","","","0.71069","MoKα","","0.036","0.035","","","","0.089","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201229","13.936","0.002","10.887","0.0019","8.4833","0.0014","90","","90","","90","","1287.1","0.4","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H2 N6 O12 -","- C8 H2 N6 O12 -","- C32 H8 N24 O48 -","4","0.5","AC6009","Richard Gilardi; Ray J. Butcher; Mao-Xi Zhang","1,2,3,4,5,7-Hexanitrocubane","Acta Crystallographica Section E","2002","58","9","o978","o980","10.1107/S1600536802013739","","","0.71073","MoKα","","0.068","0.0456","","","0.1242","0.1357","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2201248","9.7044","0.0005","11.0023","0.0006","13.3937","0.0008","90","","90","","90","","1430.05","0.14","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Co H8 K2 O16 P4 -","- Co H8 K2 O16 P4 -","- Co4 H32 K8 O64 P16 -","4","0.5","BR6060","Alaoui Tahiri, Aziz; Ouarsal, Rachid; Lachkar, Mohammed; El Bali, Brahim; Bolte, Michael","Cobalt potassium dihydrogendiphosphate dihydrate, CoK~2~(H~2~P~2~O~7~)~2~·2H~2~O","Acta Crystallographica Section E","2002","58","10","i91","i92","10.1107/S1600536802016161","","","0.71073","MoKα","","0.0292","0.0242","","","0.0592","0.0608","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201258","12.3","0.002","10.29","0.002","16.061","0.003","90","","90","","90","","2032.8","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","samarium chloride thiosilicate","samarium chloride ortho-thiosilicate","","- Cl S6 Si Sm3 -","- Cl S6 Si Sm3 -","- Cl8 S48 Si8 Sm24 -","8","1","BR6070","Hatscher, Stephan T.; Urland, Werner","Samarium chloride sulfide thiosilicate, Sm~3~ClS~2~[SiS~4~]","Acta Crystallographica Section E","2002","58","12","i124","i126","10.1107/S1600536802021694","","","0.71073","MoKα","","0.0306","0.0198","","","0.0368","0.0384","","","","","","0.897","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2201261","10.9913","0.0003","12.6073","0.0005","11.4222","0.0003","90","","90","","90","","1582.78","0.09","293","2","293","3","","","","","","","","6","P n m a","-P 2ac 2n","62","","Tetraethylammonium aquatetrachlorooxomolybdenum(V)","","- C8 H22 Cl4 Mo N O2 -","- C8 H22 Cl4 Mo N O2 -","- C32 H88 Cl16 Mo4 N4 O8 -","4","0.5","BT6149","Simon J. Hibble; Sharon G. Eversfield; Ann M. Chippindale","Tetraethylammonium aquatetrachlorooxomolybdate(V), [Et~4~N][MoOCl~4~(H~2~O)]","Acta Crystallographica Section E","2002","58","7","m366","m368","10.1107/S1600536802010966","","","0.71073","MoKα","","","0.031","","","","0.0283","","","","","","1.1459","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2201268","15.5758","0.0016","5.4976","0.0005","11.2826","0.0015","90","","90","","90","","966.12","0.18","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Ammonium mercury(II)-dichloride-nitrate","","","- Cl2 H8 Hg N4 O6 -","- Cl2 H8 Hg N4 O6 -","- Cl8 H32 Hg4 N16 O24 -","4","0.5","","Nockemann, Peter; Meyer, Gerd","Ammonium mercury(II) dichloride nitrate, (NH~4~)~2~HgCl~2~(NO~3~)~2~","Acta Crystallographica, Section E","2002","58","","i68","i69","10.1107/S1600536802011145","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2201448","13.261","0.005","7.185","0.002","9.735","0.003","90","","90","","90","","927.6","0.5","178","2","178","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Mesityldifluorophosphine","","- C9 H11 F2 P -","- C9 H11 F2 P -","- C36 H44 F8 P4 -","4","0.5","CV6135","Jones, Peter G.; Heuer, Lutz; Schmutzler, Reinhard","Difluoro(mesityl)phosphine","Acta Crystallographica Section E","2002","58","9","o999","o1000","10.1107/S160053680201423X","","","0.71073","MoKα","","0.0349","0.0299","","","0.0828","0.0873","","","","","","1.087","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201485","12.311","0.002","6.788","0.002","14.222","0.002","90","","90","","90","","1188.5","0.4","299","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H11 Cl N2 O2 -","- C12 H11 Cl N2 O2 -","- C48 H44 Cl4 N8 O8 -","4","0.5","FL6001","Ohba, Shigeru; Matsuura, Keisuke; Suzuki, Tamotsu; Chida, Noritaka","2-Chloro-4-(4-methoxybenzyloxy)pyrimidine","Acta Crystallographica Section E","2002","58","11","o1200","o1201","10.1107/S160053680201797X","","","0.7107","MoKα","","","0.1412","","","","0.417","","","","","","1.785","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2201507","12.7116","0.0003","12.4934","0.0003","14.3478","0.0003","90","","90","","90","","2278.59","0.09","291","1","291","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C11 H32 Cl2 N3 O P Sn2 -","- C11 H32 Cl2 N3 O P Sn2 -","- C44 H128 Cl8 N12 O4 P4 Sn8 -","4","0.5","LH6014","Mandolesi,Sandra; Schürmann, Markus; Preut, Hans; Mitchell, Terence","A 1:1 adduct between bis(chlorodimethylstannyl)methane and hexamethylphosphoric acid triamide (HMPA)","Acta Crystallographica Section E","2002","58","12","m740","m741","10.1107/S1600536802021001","","","0.71073","MoKα","","0.052","0.0275","","","0.057","0.0629","","","","","","0.963","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2201523","10.5315","0.0016","11.5313","0.0017","9.0821","0.0013","90","","90","","90","","1102.9","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","[silver(4,4'-bipyridine)(nitrate)]~n~ [Ag(bpy)(NO~3~)]~n~(bpy = 4,4'-bipydine)","","- C10 H8 Ag N3 O3 -","- C5 H4 Ag0.5 N1.5 O1.5 -","- C40 H32 Ag4 N12 O12 -","8","1","NA6166","Bi, Wenhua; Sun, Daofeng; Cao, Rong; Hong, Maochun","Chain structure of {[Ag(bpy)]NO~3~}~<i>n~</i> (bpy = 4,4'-bipyridine)","Acta Crystallographica Section E","2002","58","7","m324","m325","10.1107/S1600536802009601","","","0.71073","MoKα","","","0.0377","","","0.0695","0.081","","","","","","1.175","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201663","18.298","0.005","12.792","0.003","6.586","0.002","90","","90","","90","","1541.6","0.7","143","2","143","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Di-tert-butylphosphino)(dimethylphosphino)methane disulfide","","- C11 H26 P2 S2 -","- C11 H26 P2 S2 -","- C44 H104 P8 S8 -","4","0.5","WN6117","Jones, Peter G.; Fischer, Axel K.; Krill, Jochen; Schmutzler, Reinhard","(Di-<i>tert</i>-butylphosphino)(dimethylphosphino)methane disulfide","Acta Crystallographica Section E","2002","58","9","o1016","o1017","10.1107/S1600536802014927","","","0.71073","MoKα","","0.0295","0.0267","","","0.0698","0.072","","","","","","1.073","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2201753","7.26327","0.00004","14.78061","0.00008","7.70343","0.00004","90","","90","","90","","827.006","0.008","293","","293","","","","","","","","","2","P n m a","-P 2ac 2n","62","","pentaytterbium tetrasilicide","","- Si4 Yb5 -","- Si4 Yb5 -","- Si16 Yb20 -","4","0.5","BR6073","Radovan Černý; K. Alami-Yadri","Orthorhombic Yb~5~Si~4~ from synchrotron powder data","Acta Crystallographica Section E","2003","59","2","i1","i3","10.1107/S1600536802023541","","","0.52301","synchrotron","","","","","","","","","","1.28","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2201765","6.2727","0.0008","3.7821","0.0005","15.578","0.003","90","","90","","90","","369.58","0.09","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F4 K Pr -","- F4 K Pr -","- F16 K4 Pr4 -","4","0.5","","Werner, Franz; Weil, Matthias; Kubel, Frank","KPrF~4~","Acta Crystallographica, Section E","2003","59","","i47","i49","10.1107/S1600536803005178","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2201766","5.13","0.001","10.56","0.002","17.745","0.004","90","","90","","90","","961.3","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","lithium scandium molybdate","","","- Li3 Mo3 O12 Sc -","- Li3.007 Mo3 O12 Sc0.993 -","- Li12.028 Mo12 O48 Sc3.972 -","4","0.5","","Kolitsch, Uwe; Tillmanns, Ekkehart","Li~3~Sc(MoO~4~)~3~: substitutional disorder on three (Li,Sc) sites","Acta Crystallographica, Section E","2003","59","","i55","i58","10.1107/S1600536803004872","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2201769","9.3384","0.0004","17.3447","0.0007","7.3198","0.0003","90","","90","","90","","1185.6","0.09","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl Co H5 O5 Se -","- Cl Co H5 O5 Se -","- Cl8 Co8 H40 O40 Se8 -","8","1","BR6090","Johnston, Magnus G.; Harrison, William T. A.","Cobalt hydrogen selenite chloride dihydrate, Co(HSeO~3~)Cl·2H~2~O","Acta Crystallographica Section E","2003","59","4","i62","i64","10.1107/S1600536803006378","","","0.71073","MoKα","","0.0264","0.0218","","","0.0602","0.0615","","","","","","1.02","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2201771","9.7613","0.0008","11.1627","0.0009","13.3949","0.0011","90","","90","","90","","1459.5","0.2","294","2","294","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H8 K2 Mn O16 P4 -","- H8 K2 Mn O16 P4 -","- H32 K8 Mn4 O64 P16 -","4","0.5","","Alaoui Tahiri, Aziz; Ouarsal, Rachid; Lachkar, Mohammed; Zavalij, Peter Y.; El Bali, Brahim","Dipotassium manganese(II) bis(dihydrogendiphosphate) dihydrate, K~2~Mn(H~2~P~2~O~7~)~2~.2H~2~O","Acta Crystallographica, Section E","2003","59","","i68","i69","10.1107/S1600536803007189","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2201798","7.2093","0.0015","6.9259","0.001","8.7689","0.0015","90","","90","","90","","437.84","0.13","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","holmium chloride oxo-selenate(IV)","","","- Cl Ho O3 Se -","- Cl Ho O3 Se -","- Cl4 Ho4 O12 Se4 -","4","0.5","BT6237","Wickleder, Mathias S.","Holmium chloride oxoselenate(IV), HoClSeO~3~","Acta Crystallographica Section E","2003","59","3","i31","i32","10.1107/S1600536803003301","","","0.71073","MoKα","","0.0267","0.0229","","","0.0519","0.0529","","","","","","1.041","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2201844","7.0228","0.0004","17.298","0.009","7.6646","0.0005","90","","90","","90","","931.1","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dimethyl iminiodiacetate chloride","","- C6 H12 Cl N O4 -","- C6 H12 Cl N O4 -","- C24 H48 Cl4 N4 O16 -","4","0.5","CF6227","Ramos Silva, Manuela; Paixão, Jose Antonio; Matos Beja, Ana; Sobral, Abilio J. F. N.; Lopes, Susana H.; Rebanda, N. G. C. L.; Rocha Gonsalves, A. M. d'A.","Dimethyl iminiodiacetate chloride","Acta Crystallographica Section E","2003","59","1","o7","o8","10.1107/S1600536802022146","","","1.5418","CuKα","","0.0588","0.0427","","","0.1226","0.1629","","","","","","1.19","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202027","10.464","0.002","17.142","0.003","8.4481","0.0017","90","","90","","90","","1515.4","0.5","180","2","180","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","catena-[1,3-Diammoniopropane di-μ~2~-hydroxo-di-μ~4~-phosphato-trioxotrivanadium dihydrate]","","- C3 H18 N2 O15 P2 V3 -","- C3 H18 N2 O15 P2 V3 -","- C12 H72 N8 O60 P8 V12 -","4","0.5","LH6045","Almeida Paz, Filipe A.; Shi, Fa-Nian; Trindade, Tito; Rocha, Joao; Klinowski, Jacek","<i>catena</i>-[1,3-Diammoniopropane di-μ~2~-hydroxo-di-μ~4~-phosphato-trioxotrivanadium dihydrate]: a redetermination at 180(2)K","Acta Crystallographica Section E","2003","59","4","m179","m182","10.1107/S1600536803005828","","","0.71073","MoKα","","0.0353","0.0292","","","0.0706","0.0733","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202176","20.6825","0.001","21.0325","0.0009","13.2577","0.0006","90","","90","","90","","5767.2","0.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Au2 P6 F12 C51 H46 Cl2","Bis[bis(diphenylphosphino)methane)digold(I) bishexafluorophosphatedichloromethane disolvate","","- C52 H48 Au2 Cl4 F12 P6 -","- C52 H48 Au2 Cl4 F12 P6 -","- C208 H192 Au8 Cl16 F48 P24 -","4","0.5","TK6088","Wu, Meimei; Zhang, Liyi; Chen, Zhongning","Bis[μ-bis(diphenylphosphino)methane]digold(I) bis(hexafluorophosphate) dichloromethane disolvate","Acta Crystallographica Section E","2003","59","2","m72","m73","10.1107/S1600536803001120","","","0.71073","MoKα","","0.126","0.066","","","0.133","0.16","","","","","","1.13","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202203","14.2379","0.0003","6.2978","0.0001","12.311","0.0003","90","","90","","90","","1103.9","0.04","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","1,10-Phenanthroline-5,6-dione hydrogen bromide","5,6-Dioxo-1,10-phenanthrolin-1-ium bromide","","- C12 H7 Br N2 O2 -","- C12 H7 Br N2 O2 -","- C48 H28 Br4 N8 O8 -","4","0.5","WN6136","Bomfim, João A. S.; Filgueiras, Carlos A. L.; Howie, R. Alan; Wardell, James L.","5,6-Dioxo-1,10-phenanthrolin-1-ium bromide at 120K","Acta Crystallographica Section E","2003","59","2","o244","o246","10.1107/S1600536803002009","","","0.71073","MoKα","","0.0317","0.0285","","","0.075","0.0771","","","","","","1.108","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202233","17.9522","0.0013","7.5712","0.0005","7.4092","0.0006","90","","90","","90","","1007.06","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","aqua(μ~4~-maleato-κ^4^O)pyridylnickel(II)","","- C9 H9 N Ni O5 -","- C9 H9 N Ni O5 -","- C36 H36 N4 Ni4 O20 -","4","0.5","WW6072","Yun Chen; Ping Liu; Jian Wang; Wen-Dan Cheng","Polymeric aqua(μ~4~-maleato-κ^4^<i>O</i>)pyridylnickel(II)","Acta Crystallographica Section E","2003","59","6","m393","m395","10.1107/S1600536803011231","","","0.71073","MoKα","","0.0909","0.0559","","","0.1195","0.1378","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202257","13.2","0.0009","19.965","0.0014","8.9503","0.0006","90","","90","","90","","2358.7","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis(N-cyclohexyl-N-methyldithiocarbamato)dimethyltin(IV)","","- C18 H34 N2 S4 Sn -","- C18 H34 N2 S4 Sn -","- C72 H136 N8 S16 Sn4 -","4","0.5","YA6155","Normah Awang; Ibrahim Baba; M. Sukeri. M.Yusof; Bohari. M.Yamin","Bis(<i>N</i>-cyclohexyl-<i>N</i>-methyldithiocarbamato)dimethyltin(IV)","Acta Crystallographica Section E","2003","59","6","m348","m349","10.1107/S1600536803010420","","","0.71073","MoKα","","0.038","0.032","","","0.077","0.081","","","","","","1.06","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2202270","12.2603","0.0012","16.4739","0.0013","11.6085","0.0006","90","","90","","90","","2344.6","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","1,3,5-tris(4-fluorobensenesulfonyl)-1,3,5-triazacyclohexane","","- C21 H18 F3 N3 O6 S3 -","- C21 H18 F3 N3 O6 S3 -","- C84 H72 F12 N12 O24 S12 -","4","0.5","AC6050","Gilardi, Richard; Evans, Robin N.; Duddu, Raja","1,3,5-Tris(4-fluorobenzenesulfonyl)-1,3,5-triazacyclohexane","Acta Crystallographica Section E","2003","59","8","o1187","o1188","10.1107/S1600536803015228","","","0.71073","MoKα","","0.0489","0.0367","","","0.0896","0.096","","","","","","1.062","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202302","14.782","0.003","5.6774","0.0011","8.7653","0.0018","90","","90","","90","","735.6","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","ammonium iron molybdate","","- Fe H4 Mo2 N O8 -","- Fe H4 Mo2 N O8 -","- Fe4 H16 Mo8 N4 O32 -","4","0.5","BR6116","Wu, Xiaoyuan; Zhang, Hanhui; Huang, Changcang; Huang, Xihe; Sun, Qiaozhen; Lin, Zhihua","Ammonium iron(III) molybdate","Acta Crystallographica Section E","2003","59","10","i134","i136","10.1107/S1600536803019597","","","0.71069","MoKα","","0.0236","0.0209","","","0.0537","0.0553","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202308","11.161","0.0005","8.305","0.0011","15.818","0.0008","90","","90","","90","","1466.2","0.2","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H2 Na O13 Rb3 V4 -","- H2 Na O13 Rb3 V4 -","- H8 Na4 O52 Rb12 V16 -","4","0.5","BR6122","Dan Boström; Gustaf Bergquist; Lage Pettersson","Sodium trirubidium metavanadate monohydrate","Acta Crystallographica Section E","2003","59","11","i151","i153","10.1107/S1600536803024024","","","0.71073","MoKα","","0.0377","0.0344","","","0.0759","0.0773","","","","","","1.139","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202310","17.2502","0.0009","24.4253","0.0013","11.3154","0.0006","90","","90","","90","","4767.6","0.4","294","2","294","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C52 H40 O4 P2 Ru2 S2 -","- C52 H40 O4 P2 Ru2 S2 -","- C208 H160 O16 P8 Ru8 S8 -","4","0.5","BR6125","Shiu, Kom-Bei; Liao, Fen-Ling; Wang, Sue-Lein","<i>syn</i>-Tetracarbonyldi-μ-phenylthiolato-bis[(triphenylphosphine)ruthenium(I)]","Acta Crystallographica Section E","2003","59","12","m1187","m1188","10.1107/S1600536803026874","","","0.71073","MoKα","","0.134","0.0493","","","0.0573","0.0694","","","","","","0.875","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202450","18.929","0.006","10.197","0.003","11.214","0.004","90","","90","","90","","2164.5","1.2","168","","168","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C11 H18 F3 Fe N2 O6 S5 -","- C11 H18 F3 Fe N2 O6 S5 -","- C44 H72 F12 Fe4 N8 O24 S20 -","4","0.5","CF6293","Wu, Bei; Taylor, Max R.; Martin, Lisandra L.","Aquabis(4-morpholinyldithiocarbamato)iron(III) trifluoromethanesulfonate","Acta Crystallographica Section E","2003","59","11","m1083","m1085","10.1107/S1600536803024462","","","0.71073","MoKα","","0.067","0.042","","0.096","","0.094","","","0.989","","","1.008","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2202582","10.098","0.002","10.477","0.002","8.22","0.002","90","","90","","90","","869.6","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","1,2-diaminoethanesilver(I) hexafluoroarsenate","","- C2 H8 Ag As F6 N2 -","- C2 H8 Ag As F6 N2 -","- C8 H32 Ag4 As4 F24 N8 -","4","0.5","CV6231","Zhu, Hai-Liang; Sun, Zhi-Yuan; Rong, Na-Na; Zhang, Biao; Zhang, Min; Li, Yong","<i>catena</i>-Poly[[silver(I)-μ-1,2-diaminoethane] hexafluoroarsenate]","Acta Crystallographica Section E","2003","59","10","m906","m907","10.1107/S1600536803019731","","","0.71073","MoKα","","0.0554","0.0478","","","0.1311","0.1354","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202700","11.6252","0.0016","11.3317","0.0018","6.0403","0.001","90","","90","","90","","795.7","0.2","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Bromopentacarbonylmanganese","","- C5 Br Mn O5 -","- C5 Br Mn O5 -","- C20 Br4 Mn4 O20 -","4","0.5","LH6098","Haghiri, Alireza; Wagner, Matthias; Bolte, Michael","Bromopentacarbonylmanganese","Acta Crystallographica Section E","2003","59","9","i129","i130","10.1107/S1600536803017197","","","0.71073","MoKα","","0.0458","0.0323","","","0.0719","0.0756","","","","","","0.995","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202788","17.959","0.0007","17.0728","0.0007","10.1189","0.0004","90","","90","","90","","3102.6","0.2","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","bis(μ-N-methylisonicotinamidato)bis[cis-diammineplatinum(II)] tetraperchlorate","","- C14 H28 Cl4 N8 O18 Pt2 -","- C14 H28 Cl4 N8 O18 Pt2 -","- C56 H112 Cl16 N32 O72 Pt8 -","4","0.5","OB6266","Sakai, Ken; Shiomi, Meiko; Tsubomura, Taro; Kato, Kaoru; Yokoyama, Yoshimi; Kajiwara, Takashi; Ito, Tasuku","A head-to-head isomer of bis(μ-<i>N</i>-methylisonicotinamidato)bis[<i>cis</i>-diammineplatinum(II)] tetraperchlorate","Acta Crystallographica Section E","2003","59","8","m559","m561","10.1107/S1600536803014521","","","0.71073","MoKα","","0.068","0.0349","","","0.0567","0.0619","","","","","","0.881","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202814","12.6648","0.0008","9.1249","0.0005","8.2136","0.0005","90","","90","","90","","949.2","0.1","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","(h6-p-fluoroaniline)chromium(tricarbonyl)","","- C9 H6 Cr F N O3 -","- C9 H6 Cr F N O3 -","- C36 H24 Cr4 F4 N4 O12 -","4","0.5","OB6297","Zeller, Matthias; Hunter, Allen D.; Regula, Jody L.; Szalay, Paul S.","Tricarbonyl(η^6^-4-fluoroaniline)chromium","Acta Crystallographica Section E","2003","59","11","m975","m976","10.1107/S1600536803021469","","","0.71073","MoKα","","0.0273","0.0262","","","0.0755","0.0765","","","","","","1.077","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202854","11.819","0.003","18.418","0.005","6.075","0.0015","90","","90","","90","","1322.4","0.6","297","2","297","2","","","","","","","","6","P n m a","-P 2ac 2n","62","tetrafluorodiiodobenzene/DMSO","2,3,5,6-Tetrafluoro-1,4-diiodobenzene‒dimethyl sulfoxide (1/1)","","- C8 H6 F4 I2 O S -","- C8 H6 F4 I2 O S -","- C32 H24 F16 I8 O4 S4 -","4","0.5","OM6163","Britton, Doyle","2,3,5,6-Tetrafluoro-1,4-diiodobenzene‒dimethyl sulfoxide (1/1)","Acta Crystallographica Section E","2003","59","9","o1332","o1333","10.1107/S1600536803018221","","","0.71073","MoKα","","0.103","0.045","","","0.101","0.125","","","","","","0.92","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203007","7.866","0.003","6.71","0.003","15.959","0.007","90","","90","","90","","842.3","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ethyl 5-cyano-1H-pyrrole-2-carboxylate","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C32 H32 N8 O8 -","4","0.5","WW6137","Zhang, Yan-Hua; Yin, Zhenming; Li, Xiao-Fang; Cheng, Jin-Pei","Ethyl 5-cyano-1<i>H</i>-pyrrole-2-carboxylate","Acta Crystallographica Section E","2003","59","12","o1881","o1882","10.1107/S1600536803024607","","","0.71073","MoKα","","0.0735","0.0526","","","","0.1585","","","","","","1.118","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203142","7.6826","0.0007","6.2459","0.0006","8.6691","0.0008","90","","90","","90","","415.98","0.07","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- As H Hg O5 Zn -","- As H Hg O5 Zn -","- As4 H4 Hg4 O20 Zn4 -","4","0.5","","Weil, Matthias","ZnHg(AsO~4~)(OH) with a descloizite-type structure","Acta Crystallographica, Section E","2004","60","2","i25","i27","10.1107/S1600536804001527","","","0.71073","MoKα","","0.0211","0.0181","","","0.0401","0.0407","","","","","","1.124","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2203165","12.599","0.001","17.659","0.001","13.024","0.001","90","","90","","90","","2897.7","0.4","163","2","163","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Tris(8-hydroxyquinolinato-κ^2^O,N)oxoniobium(V) dichloromethane disolvate","","- C29 H22 Cl4 N3 Nb O4 -","- C29 H22 Cl4 N3 Nb O4 -","- C116 H88 Cl16 N12 Nb4 O16 -","4","0.5","CI6322","Amini, Mostafa M.; Mirzaee, Mehdi; Yeganeh, Farnaz; Ng, Seik Weng","Tris(8-hydroxyquinolinato-κ^2^<i>O,N</i>)oxoniobium(V) dichloromethane disolvate","Acta Crystallographica Section E","2004","60","2","m147","m148","10.1107/S1600536803029556","","","0.71073","MoKα","","0.054","0.036","","","0.088","0.097","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203212","14.791","0.002","6.939","0.001","15.424","0.003","90","","90","","90","","1583","0.4","298.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H18 Co N2 O6 -","- C14 H18 Co N2 O6 -","- C56 H72 Co4 N8 O24 -","4","0.5","OB6330","Akitsu, Takashiro; Iwakura, Izumi; Tanaka, Hirotaka; Ikeno, Taketo; Einaga, Yasuaki; Yamada, Tohru","[<i>N,N</i>'-Bis(2-methoxycarbonyl-3-oxobutylidene)ethylenediaminato-κ^4^<i>O,N,N</i>',<i>O</i>']cobalt(II)","Acta Crystallographica Section E","2004","60","2","m149","m150","10.1107/S1600536803029520","","","0.7107","MoKα","","","0.0408","","","","0.135","","","","","","1.054","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2203240","9.6254","0.0006","7.0218","0.0005","12.3761","0.0008","90","","90","","90","","836.47","0.1","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dirubidium tetrathiotungstate","","- Rb2 S4 W -","- Rb2 S4 W -","- Rb8 S16 W4 -","4","0.5","","Yao, Jiyong; Ibers, James A.","Dirubidium tetrathiotungstate, Rb~2~[WS~4~]","Acta Crystallographica, Section E","2004","60","2","i10","i11","10.1107/S1600536804000169","","","0.71073","MoKα","","0.0268","0.0234","","","0.0588","0.0608","","","","","","1.334","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2203258","6.681","0.005","12.04","0.005","12.326","0.005","90","","90","","90","","991.5","0.9","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","2,3,-exo,exo-5,6-tetrabromo-bicyclo[2.2.1]hept-2-ene","","- C7 H6 Br4 -","- C7 H6 Br4 -","- C28 H24 Br16 -","4","0.5","AC6082","Ísmail Çelik; Osman Çakmak; Mehmet Akkurt; Cem Cüneyt Ersanlı; Orhan Büyükgüngör","2,3,-<i>exo,exo</i>-5,6-Tetrabromobicyclo[2.2.1]hept-2-ene","Acta Crystallographica Section E","2004","60","3","o468","o470","10.1107/S1600536804004131","","","0.71073","MoKα","","0.0933","0.0477","","","0.0802","0.0915","","","","","","1.005","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203324","9.4076","0.0012","6.8574","0.0009","16.242","0.002","90","","90","","90","","1047.8","0.2","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Dimethyl 4-bromo-1-methyl-3,5-pyrazoledicarboxylate","Dimethyl 4-bromo-1-methyl-3,5-pyrazoledicarboxylate","","- C8 H9 Br N2 O4 -","- C8 H9 Br N2 O4 -","- C32 H36 Br4 N8 O16 -","4","0.5","NA6296","Huo, Fangjun; Guo, Wei; Yin, Caixia; Yang, Pin; Xia, Chizhong","Dimethyl 4-bromo-1-methyl-3,5-pyrazoledicarboxylate","Acta Crystallographica Section E","2004","60","3","o416","o418","10.1107/S1600536804003629","","","0.71073","MoKα","","0.0406","0.0308","","","0.0782","0.0828","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203459","13.935","0.001","7.0123","0.0005","18.4739","0.0018","90","","90","","90","","1805.2","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Bis(1,1,5,5-tetramethyl-2-thiobiuretato)nickel(II)","","- C12 H24 N6 Ni O2 S2 -","- C12 H24 N6 Ni O2 S2 -","- C48 H96 N24 Ni4 O8 S8 -","4","0.5","LH6184","Jonathan D Crane; Matthew Whittingham","Bis(1,1,5,5-tetramethyl-2-thiobiuretato)nickel(II)","Acta Crystallographica Section E","2004","60","4","m449","m451","10.1107/S1600536804006294","","","0.71073","MoKα","","0.0536","0.0295","","","0.0556","0.0595","","","","","","0.874","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203468","25.1259","0.0019","9.9284","0.0008","7.5207","0.0004","90","","90","","90","","1876.1","0.2","294","2","294","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2[2,2-Dimethyl[1,3,2]dithiagermetan-4-ylidene]malononitrile","","- C6 H6 Ge N2 S2 -","- C6 H6 Ge N2 S2 -","- C48 H48 Ge8 N16 S16 -","8","1","NA6299","Akkurt, Mehmet; Öztürk, Sema; Rıza, Kök Tevfik; Heinemann, Frank W.","2-(2,2-Dimethyl-1,3,2-dithiagermetan-4-ylidene)malononitrile","Acta Crystallographica Section E","2004","60","4","m357","m358","10.1107/S160053680400488X","","","0.71073","MoKα","","0.1148","0.0456","","","0.0629","0.0732","","","","","","1.045","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203491","11.5948","0.0019","13.44","0.002","13.046","0.002","90","","90","","90","","2033","0.5","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Tricarbonyl(η^6^-1,3-dimethoxybenzene)chromium","","","- C11 H10 Cr O5 -","- C11 H10 Cr O5 -","- C88 H80 Cr8 O40 -","8","1","OM6225","Zeller, Matthias; Hunter, Allen D.; Takas, Nathan J.","Tricarbonyl(η^6^-1,3-dimethoxybenzene)chromium","Acta Crystallographica Section E","2004","60","4","m434","m435","10.1107/S1600536804005914","","","0.71073","MoKα","","0.0487","0.031","","","0.0805","0.089","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203524","18.975","0.004","25.92","0.005","8.228","0.002","90","","90","","90","","4046.8","1.5","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","5,10,15,20-Tetraphenylporphyrindiium dichloride diacetonitrile monohydrate","","- C48 H40 Cl2 N6 O -","- C48 H40 Cl2 N6 O -","- C192 H160 Cl8 N24 O4 -","4","0.5","WW6167","Larsen, Frank B.; Hansen, Flemming G.; McKenzie, Christine J.","Synchrotron study of a fully protonated tetraphenyl porphyrin","Acta Crystallographica Section E","2004","60","4","o497","o499","10.1107/S1600536804004489","","","0.69","synchrotron","","0.075","0.0518","","","0.1147","0.1252","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203674","7.4562","0.0005","20.3619","0.0014","15.8017","0.001","90","","90","","90","","2399.1","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H26 N10 Ni O9 -","- C16 H26 N10 Ni O9 -","- C64 H104 N40 Ni4 O36 -","4","0.5","WN6231","A-Qing Wu; Guang-Hua Guo; Fa-Kun Zheng; Guo-Cong Guo; Jin-Shun Huang","Bis(picolinato-κ^2^<i>N,O</i>)bis(urea-κ<i>O</i>)nickel(II) urea disolvate monohydrate","Acta Crystallographica Section E","2004","60","5","m571","m573","10.1107/S1600536804008487","","","0.71073","MoKα","","0.069","0.0418","","","0.0918","0.109","","","","","","1.012","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203714","8.94","0.001","6.768","0.001","15.028","0.002","90","","90","","90","","909.3","0.2","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ethyl 3-methyl-5-nitro-1H-imidazole-2-carboxylate","","- C7 H9 N3 O4 -","- C7 H9 N3 O4 -","- C28 H36 N12 O16 -","4","0.5","BT6461","Wu, Hai-Qiang; An, Lin-Kun; Huang, Zhi-Shu; Gu, Lian-Quan; Zain, Sharifuddin M.; Ng, Seik Weng","Ethyl 3-methyl-5-nitro-1<i>H</i>-imidazole-2-carboxylate","Acta Crystallographica Section E","2004","60","6","o994","o995","10.1107/S1600536804011080","","","0.71073","MoKα","","0.042","0.038","","","0.115","0.124","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203718","11.5603","0.001","8.3073","0.0019","12.9906","0.0016","90","","90","","90","","1247.6","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Poly[[dibromomercury(II)]-di-μ-pyrazine-k^4^N:N']","","- C8 H8 Br2 Hg N4 -","- C8 H8 Br2 Hg N4 -","- C32 H32 Br8 Hg4 N16 -","4","0.5","CF6343","Nockemann, Peter; Meyer, Gerd","Poly[[dibromomercury(II)]-di-μ-pyrazine-κ^4^<i>N:N</i>']","Acta Crystallographica Section E","2004","60","6","m747","m748","10.1107/S1600536804010438","","","0.71073","MoKα","","0.0486","0.0231","","","0.0342","0.0376","","","","","","0.849","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203821","8.3723","0.0018","4.7404","0.0011","9.799","0.002","90","","90","","90","","388.89","0.15","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Europium(II) bromide iodide","","- Br Eu I -","- Br Eu I -","- Br4 Eu4 I4 -","4","0.5","WM6017","Liao, Wuping; Liu, Xiaohui; Dronskowski, Richard","Europium(II) bromide iodide","Acta Crystallographica, Section E","2004","60","6","i69","i71","10.1107/S160053680401075X","","","0.71073","MoKα","","0.0595","0.0378","","","0.073","0.0802","","","","","","1.075","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2203945","18.4374","0.0002","6.8192","0.0001","18.433","0.0002","90","","90","","90","","2317.55","0.05","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Ditetramethylammonium tetraaquodichlorochromate(III) trichloride dihydrate","","- C8 H36 Cl5 Cr N2 O6 -","- C8 H36 Cl5 Cr N2 O6 -","- C32 H144 Cl20 Cr4 N8 O24 -","4","0.5","SU6111","Eriksson, Annika K.; Casari, Barbara M.; Langer, Vratislav","Tetramethylammonium tetraaquadichlorochromium(III) trichloride dihydrate","Acta Crystallographica Section E","2004","60","7","m930","m932","10.1107/S1600536804013078","","","0.71073","MoKα","","0.0792","0.0529","","","0.1318","0.1488","","","","","","1.001","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2204064","12.699","0.004","13.885","0.004","7.252","0.002","90","","90","","90","","1278.7","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","catena-Poly[[chlorocopper(I)]-μ-1,3-di-4-pyridylpropane-k^2^N:N']","","- C13 H14 Cl Cu N2 -","- C13 H14 Cl Cu N2 -","- C52 H56 Cl4 Cu4 N8 -","4","0.5","NG6036","En Tang; Yu-Mei Dai; Shen Lin","<i>catena</i>-Poly[[chlorocopper(I)]-μ-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2004","60","8","m1095","m1096","10.1107/S1600536804016320","","","0.71073","MoKα","","","0.0887","","","0.1752","0.2003","","","","","","1.109","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204086","7.725","0.005","15.67","0.009","10.342","0.006","90","","90","","90","","1251.9","1.3","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3-Bis(2-furylmethylidene)-3,4,5,6-tetrahydropyrimidin-2(1H)-one","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","0.5","SU6125","You, Zhong-Lu; Zhu, Hai-Liang","1,3-Bis(2-furylmethylidene)-3,4,5,6-tetrahydropyrimidin-2(1H)-one","Acta Crystallographica, Section E","2004","60","8","o1352","o1353","10.1107/S1600536804016927","","","0.71073","MoKα","","0.1125","0.0631","","","0.1471","0.1695","","","","","","0.911","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2204095","11.474","0.001","10.894","0.001","6.1885","0.0004","90","","90","","90","","773.55","0.11","11","0.5","11","0.5","","","","","","","","3","P n m a","-P 2ac 2n","62","Chromium hexacarbonyl","Hexacarbonylchromium(0)","","- C6 Cr O6 -","- C6 Cr O6 -","- C24 Cr4 O24 -","4","0.5","WM6024","Figgis, Brian N.; Sobolev, Alexandre N.","Hexacarbonylchromium(0) at 11K","Acta Crystallographica Section E","2004","60","8","i93","i94","10.1107/S1600536804016174","","","0.71073","MoKα","","0.0206","0.0199","","","0.0539","0.0543","","","","","","1.137","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204243","16.374","0.002","4.2382","0.0005","18.78","0.002","90","","90","","90","","1303.3","0.3","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dicesium dibismuth zinc pentaselenide","","- Bi2 Cs2 Se5 Zn -","- Bi2 Cs2 Se5 Zn -","- Bi8 Cs8 Se20 Zn4 -","4","0.5","WM6027","Yao, Jiyong; Ibers, James A.","Cs~2~Bi~2~ZnSe~5~","Acta Crystallographica Section E","2004","60","9","i111","i113","10.1107/S1600536804018501","","","0.71073","MoKα","","0.0283","0.0253","","","0.0645","0.0658","","","","","","1.149","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204246","10.4802","0.0007","7.1166","0.001","14.6924","0.00014","90","","90","","90","","1095.81","0.17","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","(E)-4,4,4-Trichloro-1-phenylbut-2-en-1-one","","- C10 H7 Cl3 O -","- C10 H7 Cl3 O -","- C40 H28 Cl12 O4 -","4","0.5","WN6272","Zhang, Xing-Guo; Zhong, Ping; Hu, Mao-Lin; Wang, Dan-Yan; Lin, Dan","(<i>E</i>)-4,4,4-Trichloro-1-phenylbut-2-en-1-one","Acta Crystallographica Section E","2004","60","9","o1465","o1466","10.1107/S1600536804018549","","","0.71073","MoKα","","0.0861","0.0788","","","0.2209","0.2277","","","","","","1.079","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204418","12.65","0.003","15.488","0.003","8.772","0.002","90","","90","","90","","1718.6","0.7","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","3,3-Dibenzylbenzo[b]furan-2(3H)-one","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","0.5","WW6287","Wang, Hai-Bo; Chen, Jia-Hui; Wang, Jin-Tang","3,3-Dibenzylbenzo[<i>b</i>]furan-2(3<i>H</i>)-one","Acta Crystallographica Section E","2004","60","10","o1842","o1843","10.1107/S1600536804022846","","","0.71073","MoKα","","0.0933","0.0455","","","0.1286","0.1583","","","","","","0.979","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204511","7.7843","0.0016","21.977","0.004","11.129","0.002","90","","90","","90","","1903.9","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Triaquaformatobis(4-formyl-2-methoxyphenolato)gadolinium(III)","","- C17 H21 Gd O11 -","- C17 H21 Gd O11 -","- C68 H84 Gd4 O44 -","4","0.5","HB6118","Gao, Shan; Huo, Li-Hua; Zhang, Xian-Fa; Zhao, Hui","Triaquaformatobis(4-formyl-2-methoxyphenolato)gadolinium(III)","Acta Crystallographica Section E","2004","60","11","m1738","m1740","10.1107/S1600536804027205","","","0.71073","MoKα","","0.018","0.017","","","0.043","0.044","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204582","9.6054","0.0006","6.9863","0.0005","12.2557","0.001","90","","90","","90","","822.43","0.1","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","diammonium tetrathiotungstate","","","- H8 N2 S4 W -","- H8 N2 S4 W -","- H32 N8 S16 W4 -","4","0.5","WM6034","Srinivasan, Bikshandarkoil R.; Poisot, Martha; Näther, Christian; Bensch, Wolfgang","Diammonium tetrathiotungstate(VI), (NH~4~)~2~[WS~4~], at 150K","Acta Crystallographica Section E","2004","60","11","i136","i138","10.1107/S1600536804023761","","","0.71073","MoKα","","0.0204","0.0183","","","0.047","0.0479","","","","","","1.097","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204816","9.9205","0.0008","11.507","0.001","9.9406","0.0009","90","","90","","90","","1134.77","0.17","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Tricesium tantalum tetrasulfide","Tricesium tantalum tetrasulfide","","- Cs3 S4 Ta -","- Cs3 S4 Ta -","- Cs12 S16 Ta4 -","4","0.5","WM6040","Deng, Bin; Ibers, James A.","Cs~3~TaS~4~","Acta Crystallographica Section E","2004","60","12","i147","i148","10.1107/S1600536804029927","","","0.71073","MoKα","","0.0257","0.0255","","","0.0705","0.0707","","","","","","1.198","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204952","14.951","0.002","9.1564","0.0015","12.815","0.002","90","","90","","90","","1754.3","0.5","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Bis(pyridinium) tetrabromocadmate(II) monohydrate","","- C10 H14 Br4 Cd N2 O -","- C10 H14 Br4 Cd N2 O -","- C40 H56 Br16 Cd4 N8 O4 -","4","0.5","RZ6012","Zhang, Hui; Fang, Liang","Bis(pyridinium) tetrabromocadmate(II) monohydrate","Acta Crystallographica Section E","2005","61","1","m101","m102","10.1107/S1600536804029897","","","0.71073","MoKα","","0.0461","0.0296","","","0.0698","0.0767","","","","","","1.102","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205246","9.196","0.002","9.407","0.002","13.322","0.003","90","","90","","90","","1152.4","0.4","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2,6-Diammonio-4-toluenesulfonate chloride dihydrate","","- C7 H15 Cl N2 O5 S -","- C7 H15 Cl N2 O5 S -","- C28 H60 Cl4 N8 O20 S4 -","4","0.5","CV6455","Gao, Shan; Huo, Li-Hua; Ng, Seik Weng","2,6-Diammonio-4-toluenesulfonate chloride dihydrate","Acta Crystallographica Section E","2005","61","3","o612","o613","10.1107/S1600536805003922","","","0.71073","MoKα","","0.041","0.039","","","0.127","0.13","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205270","9.3183","0.0007","10.073","0.0009","12.4423","0.0009","90","","90","","90","","1167.87","0.16","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Trirubidium cobalt tetrachloride nitrate(V), Rb~3~CoCl~4~NO~3~","","- Cl4 Co N O3 Rb3 -","- Cl4 Co N O3 Rb3 -","- Cl16 Co4 N4 O12 Rb12 -","4","0.5","HB6150","Ouarsal, Rachid; Lachkar, Mohammed; Bolte, Michael; El Bali, Brahim","Trirubidium cobalt tetrachloride nitrate(V), Rb~3~CoCl~4~NO~3~","Acta Crystallographica Section E","2005","61","3","i44","i45","10.1107/S1600536805004289","","","0.71073","MoKα","","0.0248","0.02","","","0.0416","0.0428","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205308","7.259","0.0006","25.872","0.003","7.425","0.0015","90","","90","","90","","1394.5","0.3","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Terpyridine Dioxide Dihydrate","2,2':6',2''-Terpyridine 1,1''-dioxide dihydrate","","- C15 H15 N3 O4 -","- C15 H15 N3 O4 -","- C60 H60 N12 O16 -","4","0.5","LH6363","Wheeler, Kraig A.; McKay, Scott E.; Lashlee III, Robert W.","2,2':6',2''-Terpyridine 1,1''-dioxide dihydrate","Acta Crystallographica Section E","2005","61","3","o645","o647","10.1107/S1600536805003855","","","0.71073","MoKα","","0.0856","0.052","","","0.1335","0.1559","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205314","10.4244","0.001","15.9819","0.0016","6.0919","0.0007","90","","90","","90","","1014.92","0.18","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Di-tert-butylphosphine oxide","","- C8 H19 O P -","- C8 H19 O P -","- C32 H76 O4 P4 -","4","0.5","NC6021","Dornhaus, Franz; Lerner, Hans-Wolfram; Bolte, Michael","Di-<i>tert</i>-butylphosphine oxide","Acta Crystallographica Section E","2005","61","3","o657","o658","10.1107/S1600536805004332","","","0.71073","MoKα","","0.0429","0.0386","","","0.1102","0.114","","","","","","1.064","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205347","8.425","0.0017","12.577","0.003","13.945","0.003","90","","90","","90","","1477.6","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Diisothiocyanatobis(2-methyl-1H-imidazole)cobalt(II)","","- C10 H12 Co N6 S2 -","- C10 H12 Co N6 S2 -","- C40 H48 Co4 N24 S8 -","4","0.5","RZ6042","Faqian Liu; Fangfang Jian; Lude Lu; Xujie Yang; Xin Wang; Hailian Xiao","Diisothiocyanatobis(2-methyl-1<i>H</i>-imidazole)cobalt(II)","Acta Crystallographica Section E","2005","61","3","m425","m426","10.1107/S1600536805002849","","","0.71073","MoKα","","0.042","0.0356","","","0.0988","0.1027","","","","","","1.093","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205371","22.368","0.003","8.4961","0.0011","7.4726","0.001","90","","90","","90","","1420.1","0.3","120","2","120","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","1-Chloromethyl-4-aza-1-azoniabicyclo[2.2.2]octane tetrafluoroborate deuterochloroform solvate","","- C8 H14 B Cl4 D F4 N2 -","- C8 H14 B Cl4 D F4 N2 -","- C32 H56 B4 Cl16 D4 F16 N8 -","4","0.5","TK6209","Batsanov, Andrei S.; Trmcic, Jelena; Sandford, Graham","1-Chloromethyl-4-aza-1-azoniabicyclo[2.2.2]octane tetrafluoroborate deuterochloroform solvate","Acta Crystallographica Section E","2005","61","3","o681","o682","10.1107/S1600536805004411","","","0.71073","MoKα","","0.048","0.04","","","0.093","0.095","","","","","","1.21","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205547","13.4405","0.0011","6.4774","0.0005","9.3684","0.0007","90","","90","","90","","815.61","0.11","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Adeninium(2+) dichloride","","- C5 H7 Cl2 N5 -","- C5 H7 Cl2 N5 -","- C20 H28 Cl8 N20 -","4","0.5","LH6383","Thomas C. Lewis; Derek A. Tocher","Redetermination of adeninium dichloride: the question of centrosymmetry","Acta Crystallographica Section E","2005","61","4","o1052","o1054","10.1107/S1600536805007993","","","0.71073","MoKα","","0.0243","0.0241","","","0.0626","0.0627","","","","","","0.985","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205587","8.3575","0.0014","15.114","0.002","7.184","0.0012","90","","90","","90","","907.4","0.2","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Dibromoazulene","1,3-Dibromoazulene","","- C10 H6 Br2 -","- C10 H6 Br2 -","- C40 H24 Br8 -","4","0.5","SJ6051","Chen, Xue-Yi; Dias, Jerry R.; Powell, Doug R.; Van Horn, J. David; Sandreczki, Thomas C.","1,3-Dibromoazulene","Acta Crystallographica Section E","2005","61","4","o941","o943","10.1107/S1600536805006811","","","0.71073","MoKα","","0.018","0.0162","","","0.0445","0.0457","","","","","","0.957","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205621","8.5622","0.0004","14.0393","0.0007","14.7524","0.0007","90","","90","","90","","1773.35","0.15","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Bis-(3-methyl-4-aminopyridine)-Zinc(II)isothiocyanate","Bis(4-amino-3-methylpyridine)diisothiocyanatozinc(II)","","- C14 H16 N6 S2 Zn -","- C14 H16 N6 S2 Zn -","- C56 H64 N24 S8 Zn4 -","4","0.5","WN6335","Suchada Chantrapromma; Hoong-Kun Fun; Xiao-Jun Feng; Jia-Xiang Yang; Jie-Ying Wu; Yu-Peng Tian","Bis(4-amino-3-methylpyridine)diisothiocyanatozinc(II)","Acta Crystallographica Section E","2005","61","4","m733","m735","10.1107/S160053680500810X","","","0.71073","MoKα","","0.0402","0.0312","","","0.0815","0.0894","","","","","","1.067","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205624","9.6003","0.0011","13.0545","0.0015","7.6874","0.0009","90","","90","","90","","963.44","0.19","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2,4-Dichloro-6-morpholino-1,3,5-triazine","","- C7 H8 Cl2 N4 O -","- C7 H8 Cl2 N4 O -","- C28 H32 Cl8 N16 O4 -","4","0.5","WN6338","Dong, Chuan-Ming; Chen, Li-Gong; Duan, Xue-Min; Shu, Xue-Gui; Zeng, Tao; Yan, Xi-Long","2,4-Dichloro-6-morpholino-1,3,5-triazine","Acta Crystallographica Section E","2005","61","4","o1168","o1169","10.1107/S1600536805008949","","","0.71073","MoKα","","0.035","0.0292","","","0.0837","0.0866","","","","","","1.081","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205724","8.4061","0.0007","5.0843","0.0004","10.7278","0.0008","90","","90","","90","","458.5","0.06","93","2","93","2","","","","","","","","3","P n m a","-P 2ac 2n","62","PrCu~5-x~In~1+x~","","","- Cu4.76 In1.24 Pr -","- Cu4.763 In1.237 Pr -","- Cu19.052 In4.948 Pr4 -","4","0.5","HB6183","Bobev, Svilen; Bauer, Eric D.","PrCu~5{-~<i>x</i>}In~1+<i>x~</i> [<i>x</i> = 0.24(1)] with the orthorhombic CeCu~6~ structure type","Acta Crystallographica Section E","2005","61","5","i79","i81","10.1107/S1600536805011797","","","0.71073","MoKα","","0.0205","0.016","","","0.0316","0.0326","","","","","","1.136","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205725","8.4056","0.0007","5.0939","0.0004","10.738","0.0008","90","","90","","90","","459.77","0.06","93","2","93","2","","","","","","","","3","P n m a","-P 2ac 2n","62","CeCu~5-x~In~1+x~","cerium copper indium","","- Ce Cu4.82 In1.17 -","- Ce Cu4.822 In1.178 -","- Ce4 Cu19.288 In4.712 -","4","0.5","HB6184","Bobev, Svilen; Bauer, Eric D.","CeCu~5{-~<i>x</i>}In~1+<i>x~</i> [<i>x</i> = 0.17(1)] with the orthorhombic CeCu~6~ structure","Acta Crystallographica Section E","2005","61","5","i89","i90","10.1107/S1600536805012249","","","0.71073","MoKα","","0.0225","0.0201","","","0.0494","0.0502","","","","","","1.23","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205825","7.868","0.005","15.258","0.007","8.052","0.006","90","","90","","90","","966.6","1","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Ce20 Au1.72 Ge14.28","Pentacerium gold tetragermanium","","- Au0.43 Ce5 Ge3.58 -","- Au0.429 Ce5 Ge3.571 -","- Au1.716 Ce20 Ge14.284 -","4","0.5","WM6062","Bobev, Svilen; Bauer, Eric D.","Ce~5~Au~<i>x~</i>Ge~4{-~<i>x</i>} [<i>x</i> = 0.43(2)] with the orthorhombic Sm~5~Ge~4~ structure type","Acta Crystallographica Section E","2005","61","5","i73","i75","10.1107/S160053680501113X","","","0.71073","MoKα","","0.0317","0.0282","","","0.0545","0.0555","","","","","","1.101","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205857","13.3944","0.0005","13.6063","0.0006","26.354","0.001","90","","90","","90","","4803","0.3","295","2","295","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","catena-Poly-[[[triaquazinc(II)]-μ-chloro-[aquacucurbit[5]urilpotassium(I)]] tetrachlorozincate(II) pentahydrate]","","- C30 H48 Cl5 K N20 O19 Zn2 -","- C30 H48 Cl5 K N20 O19 Zn2 -","- C120 H192 Cl20 K4 N80 O76 Zn8 -","4","0.5","BH6002","Liu, Jing-Xin; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng","<i>catena</i>-Poly[[[triaquazinc(II)]-μ-chloro-[aquacucurbit[5]urilpotassium(I)]] tetrachlorozincate(II) pentahydrate]","Acta Crystallographica Section E","2005","61","6","m1021","m1023","10.1107/S1600536805012845","","","0.71073","MoKα","","0.051","0.044","","","0.128","0.134","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205865","20.863","0.004","10.7899","0.0019","7.363","0.0013","90","","90","","90","","1657.5","0.5","273","2","273","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Acetonitriledichloro(1,4,7-triazacyclodecane)cobalt(III) perchlorate","","- C9 H20 Cl3 Co N4 O4 -","- C9 H20 Cl3 Co N4 O4 -","- C36 H80 Cl12 Co4 N16 O16 -","4","0.5","BT6641","Guo, Hui; Ren Yan-Wei; Li, Jun; Zhang, Feng-Xing","Acetonitriledichloro(1,4,7-triazacyclodecane)cobalt(III) perchlorate","Acta Crystallographica Section E","2005","61","6","m1080","m1081","10.1107/S1600536805014042","","","0.71073","MoKα","","0.0659","0.0414","","","0.1098","0.1177","","","","","","1.055","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205945","10.568","0.007","18.258","0.013","5.025","0.004","90","","90","","90","","969.5","1.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","cobalt zinc phosphate tetrahydrate","","- Co H8 O12 P2 Zn2 -","- Co H8 O12 P2 Zn2 -","- Co4 H32 O48 P8 Zn8 -","4","0.5","HB6192","Wu, Wen-Yuan; Liang, Xiao-Qiang; Li, Yi-Zhi","CoZn~2~(PO~4~)~2~.4H~2~O, a cobalt-doped modification of hopeite","Acta Crystallographica, Section E","2005","61","6","i105","i107","10.1107/S1600536805014078","","","0.71073","MoKα","","0.0398","0.0322","","","0.0761","0.0772","","","","","","1.075","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2205946","10.562","0.003","18.224","0.005","5.0133","0.0015","90","","90","","90","","965","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","nickel zinc phosphate tetrahydrate","","- H8 Ni O12 P2 Zn2 -","- H8 Ni O12 P2 Zn2 -","- H32 Ni4 O48 P8 Zn8 -","4","0.5","HB6193","Wu, Wen-Yuan; Liang, Xiao-Qiang; Li, Yi-Zhi","NiZn~2~(PO~4~)~2~.4H~2~O, a nickel-doped modification of hopeite","Acta Crystallographica, Section E","2005","61","6","i108","i110","10.1107/S160053680501408X","","","0.71073","MoKα","","0.0361","0.0273","","","0.0561","0.0571","","","","","","1.079","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2205952","15.8286","0.0011","21.2483","0.0016","6.7247","0.0009","90","","90","","90","","2261.7","0.4","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","poly[[aquatri-μ~3~-iminodiacetato-cadmium(III)] trihydrate]","","- C12 H23 Cd3 N3 O16 -","- C12 H21 Cd3 N3 O16 -","- C48 H84 Cd12 N12 O64 -","4","0.5","HB6206","Bing-Xin Liu; Duan-Jun Xu","A two-dimensional cadmium(II)‒iminodiacetate polymer","Acta Crystallographica Section E","2005","61","6","m1218","m1220","10.1107/S1600536805015801","","","0.71073","MoKα","","0.034","0.033","","","0.061","0.061","","","","","","1.266","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2205958","18.2331","0.0017","15.3467","0.0014","9.5134","0.0009","90","","90","","90","","2662","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3,10,18,25,31,32-hexaazapentacyclo[25.3.1.1^12,16^.0^4,9^.0^19,24^]dotriconta- 1(30),4,6,8,12,14,16(32),19,21,23,27(31),28-dodecaene-2,11,17,26-tetrone dimethylformamide solvate","","- C29 H25 N7 O5 -","- C29 H25 N7 O5 -","- C116 H100 N28 O20 -","4","0.5","HG6173","Jun Lin; Hao Lin; Jing-Wen Chen; Zi-Jian Guo","Bis[<i>N</i>,<i>N</i>'-<i>o</i>-phenylenebis(pyridine-2,6-dicarboxamide)] dimethylformamide solvate","Acta Crystallographica Section E","2005","61","6","o1592","o1594","10.1107/S1600536805013322","","","0.71073","MoKα","","0.0914","0.0465","","","0.0891","0.0977","","","","","","0.963","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205991","7.1738","0.0014","6.3367","0.0013","14.782","0.003","90","","90","","90","","672","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","3,4-Methylenedioxy-benzaldehyde","3,4-Methylenedioxybenzaldehyde","","- C8 H6 O3 -","- C8 H6 O3 -","- C32 H24 O12 -","4","0.5","IS6080","Wang, Shui; Wang, Jing-Kang; Chen, Dong-Xiu","3,4-Methylenedioxybenzaldehyde","Acta Crystallographica Section E","2005","61","6","o1888","o1889","10.1107/S160053680501593X","","","0.71073","MoKα","","0.0535","0.0433","","","0.1131","0.1187","","","","","","0.987","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206067","12.4473","0.0005","17.4957","0.0007","12.8805","0.0005","90","","90","","90","","2805.04","0.19","93","2","93","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Oxotris(quinolin-8-olato-κ^2^O,N)tantalum(V) dichloromethane disolvate","","- C29 H22 Cl4 N3 O4 Ta -","- C29 H22 Cl4 N3 O4 Ta -","- C116 H88 Cl16 N12 O16 Ta4 -","4","0.5","SJ6082","Amini, Mostafa M.; Tamizkar, Tayebeh; Mirzaee, Mehdi; Ng, Seik Weng","Oxotris(quinolin-8-olato-κ^2^<i>O,N</i>)tantalum(V) dichloromethane disolvate","Acta Crystallographica Section E","2005","61","6","m1053","m1054","10.1107/S1600536805013747","","","0.71073","MoKα","","0.028","0.024","","","0.061","0.064","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206317","13.962","0.001","6.009","0.001","8.877","0.001","90","","90","","90","","744.76","0.16","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Diaquadithiocyanatocopper(II)","","- C2 H4 Cu N2 O2 S2 -","- C2 H4 Cu N2 O2 S2 -","- C8 H16 Cu4 N8 O8 S8 -","4","0.5","WW6382","Wu, Tao; Ma, Ming-Zhi; Zhou, Rui; Li, Dan; Ng, Seik Weng","Diaquadithiocyanatocopper(II)","Acta Crystallographica Section E","2005","61","7","m1401","m1402","10.1107/S1600536805019215","","","0.71073","MoKα","","0.033","0.032","","","0.085","0.086","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206387","10.371","0.003","16.447","0.004","11.07","0.003","90","","90","","90","","1888.2","0.9","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","[N,N'-Bis(3-methylsalicylidene)propane-1,3-diaminato]nickel(II) methanol solvate","","- C20 H24 N2 Ni O3 -","- C20 H24 N2 Ni O3 -","- C80 H96 N8 Ni4 O12 -","4","0.5","CI6614","You, Zhong-Lu","[<i>N</i>,<i>N</i>'-Bis(3-methylsalicylidene)propane-1,3-diaminato]nickel(II) methanol solvate","Acta Crystallographica Section E","2005","61","8","m1601","m1603","10.1107/S1600536805022956","","","0.71073","MoKα","","0.0721","0.0546","","","0.1499","0.1624","","","","","","1.062","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206618","13.393","0.0016","6.8922","0.0008","15.497","0.0018","90","","90","","90","","1430.5","0.3","292","2","292","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-Ethoxy-3-isopropylbenzo[4,5]thieno[3,2-d]pyrimidin-4(3H)-one","","- C15 H16 N2 O2 S -","- C15 H16 N2 O2 S -","- C60 H64 N8 O8 S4 -","4","0.5","AT6024","Sheng-Zhen Xu; Min-Hui Cao; Yang-Gen Hu; Ming-Wu Ding; Wen-Jing Xiao","2-Ethoxy-3-isopropylbenzo[4,5]thieno[3,2-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2005","61","9","o2789","o2790","10.1107/S1600536805024177","","","0.71073","MoKα","","0.058","0.0436","","","0.113","0.122","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206752","10.937","0.002","7.0519","0.0012","9.2671","0.0019","90","","90","","90","","714.7","0.2","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","indium(I) tetrachloroaluminate","indium(I) tetrachloroaluminate","","- Al Cl4 In -","- Al Cl4 In -","- Al4 Cl16 In4 -","4","0.5","MG6045","Timofte, Tudor; Mudring, Anja-Verena","Indium(I) tetrachloroaluminate","Acta Crystallographica Section E","2005","61","9","i199","i200","10.1107/S1600536805025067","","","0.71073","MoKα","","0.0966","0.0508","","","0.1543","0.1738","","","","","","1.089","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206862","12.2928","0.0004","3.8261","0.0001","14.3291","0.0005","90","","90","","90","","673.95","0.04","150","2","150","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Strontium nitride carbodiimide","Strontium nitride carbodiimide","","- C N4 Sr4 -","- C N4 Sr4 -","- C4 N16 Sr16 -","4","0.5","BR6219","Gál, Zoltán A.; Mallinson, Phillip M.; Clarke, Simon J.","Strontium nitride carbodiimide, Sr~4~N~2~(CN~2~)","Acta Crystallographica Section E","2005","61","10","i221","i222","10.1107/S1600536805030850","","","0.71073","MoKα","","0.0399","0.026","","","0.0462","0.0496","","","","","","1.071","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206891","16.9476","0.0006","24.1286","0.0009","10.2457","0.0004","90","","90","","90","","4189.7","0.3","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tris(tetraethylammonium) μ-3-hydroxypropanolato-di-μ-methoxo-bis[tricarbonyltungsten(0)]","","- C35 H73 N3 O10 W2 -","- C35 H71 N3 O10 W2 -","- C140 H284 N12 O40 W8 -","4","0.5","BV6028","Klausmeyer, Kevin K.; Adrian, Rafael A.","Tris(tetraethylammonium) μ-3-hydroxypropanolato-di-μ-methoxo-bis[tricarbonyltungsten(0)]","Acta Crystallographica Section E","2005","61","10","m2039","m2041","10.1107/S1600536805029041","","","0.71073","MoKα","","0.0282","0.0224","","","0.0556","0.0601","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207176","19.301","0.002","6.95","0.001","11.173","0.001","90","","90","","90","","1498.8","0.3","298","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","{2,4-Dichloro-6-[2- (dimethylamino)ethyliminomethyl]phenolato}thiocyanatocopper(II)","","- C12 H13 Cl2 Cu N3 O S -","- C12 H13 Cl2 Cu N3 O S -","- C48 H52 Cl8 Cu4 N12 O4 S4 -","4","0.5","CI6642","You, Zhong-Lu","{2,4-Dichloro-6-[2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatocopper(II)","Acta Crystallographica Section E","2005","61","11","m2226","m2227","10.1107/S1600536805031107","","","0.71073","MoKα","","0.0695","0.048","","","0.1048","0.1149","","","","","","1.021","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207459","14.174","0.003","8.0458","0.0016","6.2037","0.0012","90","","90","","90","","707.5","0.2","292","2","292","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Trimethylarsonium iodide","","- C3 H10 As I -","- C3 H10 As I -","- C12 H40 As4 I4 -","4","0.5","BT6788","Tobias van Almsick","Trimethylarsonium iodide","Acta Crystallographica Section E","2005","61","12","o4229","o4230","10.1107/S160053680503792X","","","0.71073","MoKα","","0.0372","0.0292","","","0.0751","0.078","","","","","","1.156","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207461","20.651","0.004","4.1381","0.0008","7.2842","0.0015","90","","90","","90","","622.5","0.2","291","2","291","2","","","","","","","","3","P n m a","-P 2ac 2n","62","cerium triplatinum pentaaluminium","cerium triplatinum pentaaluminium","","- Al5 Ce Pt3 -","- Al5 Ce Pt3 -","- Al20 Ce4 Pt12 -","4","0.5","BT6790","Tursina, Anna I.; Bukhan'ko, Natalia G.; Gribanov, Alexandr V.; Shchelkunov, Viktor A.; Nelyubina, Yuliya V.","A new ternary aluminide, CePt~3~Al~5~","Acta Crystallographica Section E","2005","61","12","i285","i286","10.1107/S1600536805038122","","","0.71073","MoKα","","0.0485","0.0335","","","0.0786","0.0842","","","","","","0.994","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207548","9.3325","0.0005","17.6438","0.0009","10.3499","0.0005","90","","90","","90","","1704.22","0.15","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","catena-Poly[[diiodocadmium(II)]-μ-1,4-bis(1,2,4-triazol-1-ylmethyl)benzene- κN^4^:N^4'^]","","- C12 H12 Cd I2 N6 -","- C12 H12 Cd I2 N6 -","- C48 H48 Cd4 I8 N24 -","4","0.5","HB6303","Niu, Yun-Yin; Zhang, He-Li; Hou, Hong-Wei; Ng, Seik Weng","<i>catena</i>-Poly[[diiodocadmium(II)]-μ-1,4-bis(1,2,4-triazol-1-ylmethyl)benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^]","Acta Crystallographica Section E","2005","61","12","m2536","m2537","10.1107/S1600536805035816","","","0.71073","MoKα","","0.018","0.017","","","0.048","0.049","","","","","","0.99","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207567","14.005","0.003","15.339","0.003","6.437","0.001","90","","90","","90","","1382.8","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Aquadichlorobis(2-chloropyridine-κN)copper(II)","","- C10 H10 Cl4 Cu N2 O -","- C10 H10 Cl4 Cu N2 O -","- C40 H40 Cl16 Cu4 N8 O4 -","4","0.5","IS6138","Zhi-Min Jin; Zu-Guang Li; Bing Tu; Zhen-Lu Shen; Mao-Lin Hu","Aquadichlorobis(2-chloropyridine-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2005","61","12","m2566","m2567","10.1107/S1600536805036019","","","0.71073","MoKα","","0.0484","0.0285","","","0.0551","0.0579","","","","","","0.968","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207681","15.5203","0.0013","7.7786","0.0006","6.4822","0.0005","90","","90","","90","","782.57","0.11","293","2","293","2","","","","","","","Synthetic","5","P n m a","-P 2ac 2n","62","","potassium magnesium hydrogendiphosphate dihydrate","","- H5 K Mg O9 P2 -","- H5 K Mg O9 P2 -","- H20 K4 Mg4 O36 P8 -","4","0.5","WM6097","El Bali, Brahim; Alaoui Tahiri, Aziz; Lachkar, Mohammed; Arriortua, Marcaida Isabel; Urtiaga, Miren Karmele","KMg(HP~2~O~7~).2H~2~O","Acta Crystallographica, Section E","2005","61","12","i275","i277","10.1107/S1600536805036731","","","0.71073","MoKα","","0.0369","0.033","","","0.0862","0.0886","","","","","","1.054","","","","has coordinates","282068","2023-03-26","10:12:40",""
"2207768","13.266","0.003","13.146","0.003","7.821","0.001","90","","90","","90","","1363.9","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","N,N,N',N'tetramethylethane-1,2-diaminium dichromate monohydrate","","- C6 H20 Cr2 N2 O8 -","- C6 H20 Cr2 N2 O8 -","- C24 H80 Cr8 N8 O32 -","4","0.5","DN6281","Khadrani, Hajer; Ben Smail, Ridha; Driss, Ahmed; Jouini, Taher","[(CH~3~)~2~NH(CH~2~)~2~NH(CH~3~)~2~]Cr~2~O~7~·H~2~O, un nouveau dichromate organique","Acta Crystallographica Section E","2006","62","1","m146","m148","10.1107/S160053680504153X","","","0.71073","MoKα","","0.0389","0.0297","","","0.0767","0.0803","","","","","","1.135","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2207907","19.172","0.002","6.764","0.001","11.334","0.001","90","","90","","90","","1469.8","0.3","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","{4-Chloro-2-[(2-dimethylaminoethylimino)methyl]phenolato}thiocyanatocopper(II)","","- C12 H14 Cl Cu N3 O S -","- C12 H14 Cl Cu N3 O S -","- C48 H56 Cl4 Cu4 N12 O4 S4 -","4","0.5","SU6254","You, Zhong-Lu","{4-Chloro-2-[(2-dimethylaminoethylimino)methyl]phenolato}thiocyanatocopper(II)","Acta Crystallographica Section E","2006","62","1","m47","m48","10.1107/S1600536805040250","","","0.71073","MoKα","","0.0414","0.0349","","","0.0949","0.0996","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208044","14.839","0.003","7.0388","0.0012","7.9745","0.0014","90","","90","","90","","832.9","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","6-Chloro-2-(dibromomethyl)pyridine","","- C6 H4 Br2 Cl N -","- C6 H4 Br2 Cl N -","- C24 H16 Br8 Cl4 N4 -","4","0.5","DN6286","Ming-Xiang Qiu; Min-Zhang","6-Chloro-2-(dibromomethyl)pyridine","Acta Crystallographica Section E","2006","62","2","o449","o450","10.1107/S160053680504287X","","","0.71073","MoKα","","0.0252","0.0222","","","0.0533","0.0545","","","","","","1.126","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208074","12.5812","0.0003","11.0509","0.0003","12.6024","0.0003","90","","90","","90","","1752.16","0.08","180","2","180","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Caesium sodium bis(formate)","","- C2 H2 Cs Na O4 -","- C2 H2 Cs Na O4 -","- C24 H24 Cs12 Na12 O48 -","12","1.5","HB6315","Alcock, Nathaniel W.; Wilson, Michael P.; Rodger, P. Mark","Caesium sodium bis(formate)","Acta Crystallographica Section E","2006","62","2","m388","m390","10.1107/S1600536806003047","","","0.71073","MoKα","","0.0457","0.034","","","0.085","0.0903","","","","","","1.029","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208166","16.982","0.003","6.559","0.003","11.237","0.002","90","","90","","90","","1251.6","0.7","299","2","299","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1-(Adamant-1-yloxy)pyridin-2(1H)-one","","- C15 H18 N O2 -","- C15 H18 N O2 -","- C60 H72 N4 O8 -","4","0.5","SJ2001","Hartung, Jens; Svoboda, Ingrid; Fuess, Hartmut","1-(1-Adamantyloxy)pyridin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2006","62","2","o579","o581","10.1107/S1600536805042789","","","0.71073","MoKα","","0.2734","0.082","","","0.2354","0.303","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208389","8.973","0.0003","7.1165","0.0002","15.2972","0.0005","90","","90","","90","","976.82","0.05","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,2-dibromo-4,5-dimethyl-3-nitrobenzene‒ 1,2-dibromo-4,5,6-trimethyl-3-nitrobenzene (1/1)","","- C17 H16 Br4 N2 O4 -","- C17 H16 Br4 N2 O4 -","- C34 H32 Br8 N4 O8 -","2","0.25","NC6061","Janet M. S. Skakle; Björn Gojdka; James L. Wardell","Cocrystallized 1,2-dibromo-4,5-dimethyl-3-nitrobenzene and 1,2-dibromo-4,5,6-trimethyl-3-nitrobenzene","Acta Crystallographica Section E","2006","62","3","o1001","o1002","10.1107/S1600536806003631","","","0.71073","MoKα","","0.0377","0.0298","","","0.07","0.0734","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208462","9.332","0.0019","14.561","0.003","19.901","0.004","90","","90","","90","","2704.2","1","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","Bis(morpholinium) tetraiodo(morpholine-4-carbodithioato-κ^2^S,S')bismuth(III)","","- C13 H28 Bi I4 N3 O3 S2 -","- C13 H28 Bi I4 N3 O3 S2 -","- C52 H112 Bi4 I16 N12 O12 S8 -","4","0.5","XU6102","Feng Li; Handong Yin; Daqi Wang","Bis(morpholinium) tetraiodo(morpholine-4-carbodithioato-κ^2^<i>S</i>,<i>S</i>')bismuth(III)","Acta Crystallographica Section E","2006","62","3","m566","m567","10.1107/S1600536806005757","","","0.71073","MoKα","","0.079","0.049","","","0.106","0.128","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208472","8.6314","0.0011","13.3019","0.0018","13.891","0.003","90","","90","","90","","1594.9","0.5","296","2","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","[Bis(3-methyl-2-thioxo-2,3-dihydro-1H-imidazolyl)borate- κ^2^S,S']dibromoindium(III)","","- C8 H12 B Br2 In N4 S2 -","- C8 H12 B Br2 In N4 S2 -","- C32 H48 B4 Br8 In4 N16 S8 -","4","0.5","AC2008","Sarah C. Hill; Daniel S. Jones; Daniel Rabinovich","[Bis(3-methyl-2-thioxo-2,3-dihydro-1<i>H</i>-imidazolyl)borato-κ^2^<i>S</i>,<i>S</i>']dibromoindium(III)","Acta Crystallographica Section E","2006","62","4","m702","m704","10.1107/S1600536806007732","","","1.5418","CuKα","","","0.0301","","","","0.0825","","","","","","1.026","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208579","8.731","0.007","24.06","0.02","7.488","0.007","90","","90","","90","","1573","2","296.1","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Aqua{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}zinc(II)","","- C17 H18 N2 O3 Zn -","- C17 H18 N2 O3 Zn -","- C68 H72 N8 O12 Zn4 -","4","0.5","DN2008","Odoko, Mamiko; Tsuchida, Natsuko; Okabe, Nobuo","Aqua{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}zinc(II)","Acta Crystallographica Section E","2006","62","4","m710","m711","10.1107/S1600536806007677","","","0.7107","MoKα","","","0.018","","","","0.054","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2208608","8.427","0.005","31.628","0.019","5.292","0.003","90","","90","","90","","1410.5","1.4","290","2","290","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(4-methoxyphenyl)thiourea","1,3-Bis(4-methoxyphenyl)thiourea","","- C15 H16 N2 O2 S -","- C15 H16 N2 O2 S -","- C60 H64 N8 O8 S4 -","4","0.5","HG2010","Shashidhar; Vijay Thiruvenkatam; S. A. Shivashankar; M. B. Halli; T. N. Guru Row","1,3-Bis(4-methoxyphenyl)thiourea","Acta Crystallographica Section E","2006","62","4","o1518","o1519","10.1107/S1600536806009433","","","0.71073","MoKα","","0.0594","0.0536","","","0.124","0.1272","","","","","","1.206","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208648","11.0359","0.0013","7.012","0.0012","16.657","0.002","90","","90","","90","","1289","0.3","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1-Chloro-3,4-Dimethyl-1-phenyl-3-phospholenium chloride","","- C12 H15 Cl2 P -","- C12 H15 Cl2 P -","- C48 H60 Cl8 P4 -","4","0.5","KP2009","Scheibitz, Matthias; Lerner, Hans-Wolfram; Bolte, Michael","1-Chloro-3,4-dimethyl-1-phenyl-3-phospholenium chloride","Acta Crystallographica Section E","2006","62","4","o1474","o1475","10.1107/S1600536806009160","","","0.71073","MoKα","","0.055","0.0323","","","0.0612","0.0659","","","","","","0.909","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208744","9.8155","0.0015","5.8212","0.0008","12.0041","0.0018","90","","90","","90","","685.89","0.17","509","2","509","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dipotassium heptafluorotantalate(V)","","- F7 K2 Ta -","- F7 K2 Ta -","- F28 K8 Ta4 -","4","0.5","WM2004","Vratislav Langer; Łubomír Smrčok; Miroslav Boča","Dipotassium heptafluorotantalate(V), β-K~2~TaF~7~, at 509 K","Acta Crystallographica Section E","2006","62","4","i91","i93","10.1107/S1600536806009147","","","0.71073","MoKα","","0.1218","0.0711","","","0.1871","0.2204","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208746","5.8744","0.0003","5.1087","0.0003","8.2581","0.0005","90","","90","","90","","247.83","0.02","296","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","lanthanum orthoborate","","- B La O3 -","- B La O3 -","- B4 La4 O12 -","4","0.5","WM2006","Nakatsuka, Akihiko; Ohtaka, Osamu; Arima, Hiroshi; Nakayama, Noriaki; Mizota, Tadato","Aragonite-type lanthanum orthoborate, LaBO~3~","Acta Crystallographica Section E","2006","62","4","i103","i105","10.1107/S1600536806010142","","","0.71069","MoKα","","","0.0174","","","","0.0292","","","","","","1.983","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208759","7.542","0.002","24.569","0.005","15.493","0.003","90","","90","","90","","2870.8","1.1","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","aquachloro(nitrilotriacetato-κ^2^N,O)copper(II) 18-crown-6-ether trihydrate","","- C18 H40 Cl Cu N O16 -","- C18 H38 Cl Cu N O16 -","- C72 H152 Cl4 Cu4 N4 O64 -","4","0.5","WW6365","Jiang, Yun-Bo; Kou, Hui-Zhong; Wang, Ru-Ji; Cui, Ai-Li","A sandwich strand supramolecular complex: aquachloro(nitrilotriacetato-κ^2^<i>N</i>,<i>O</i>)copper(II) 18-crown-6-ether trihydrate","Acta Crystallographica Section E","2006","62","4","m804","m806","10.1107/S1600536806008427","","","0.71073","MoKα","","0.0434","0.0368","","","0.0744","0.0763","","","","","","1.068","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208796","10.241","0.001","6.587","0.001","7.095","0.001","90","","90","","90","","478.61","0.11","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Silver molybdyl arsenate","","- Ag As Mo O6 -","- Ag As Mo O6 -","- Ag4 As4 Mo4 O24 -","4","0.5","BR2003","Hajji, Mounir; Zid, Mohamed Faouzi","Ag(MoO~2~)(AsO~4~)","Acta Crystallographica Section E","2006","62","5","i114","i116","10.1107/S1600536806012311","","","0.71073","MoKα","","0.0338","0.032","","","0.0957","0.0969","","","","","","1.235","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208916","18.57","0.001","6.9335","0.0004","14.6389","0.0009","90","","90","","90","","1884.83","0.19","291","2","291","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Benzylideneacetophenone 2,4-dinitrophenylhydrazone","","- C21 H16 N4 O4 -","- C21 H16 N4 O4 -","- C84 H64 N16 O16 -","4","0.5","IS2022","Qian, Heng-Yu; Liu, Cheng; Yin, Zhi-Gang; Ng, Seik Weng","Benzylideneacetophenone 2,4-dinitrophenylhydrazone","Acta Crystallographica Section E","2006","62","5","o2017","o2018","10.1107/S160053680601378X","","","0.71073","MoKα","","0.0561","0.0377","","","0.1065","0.1204","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209179","6.243","0.001","6.892","0.002","9.127","0.002","90","","90","","90","","392.71","0.16","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Sodium ytterbium carbonate difluoride, NaYb(CO~3~)F~2~","","- C F2 Na O3 Yb -","- C F2 Na O3 Yb -","- C4 F8 Na4 O12 Yb4 -","4","0.5","HB2041","A. Ben Ali; M. Leblanc; V. Maisonneuve","Sodium ytterbium carbonate difluoride, NaYb(CO~3~)F~2~","Acta Crystallographica Section E","2006","62","6","i133","i134","10.1107/S1600536806015716","","","0.71073","MoKα","","0.0389","0.0298","","","0.0722","0.077","","","","","","1.125","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209289","12.549","0.004","12.313","0.004","8.2","0.002","90","","90","","90","","1267","0.7","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","AuDPA","Dichloro(di-2-pyridylamine)gold(III) chloride","","- C10 H9 Au Cl3 N3 -","- C10 H9 Au Cl3 N3 -","- C40 H36 Au4 Cl12 N12 -","4","0.5","RZ2023","Shi, Peng-Fei; Jiang, Qin","Dichloro(di-2-pyridylamine)gold(III) chloride","Acta Crystallographica Section E","2006","62","6","m1183","m1185","10.1107/S1600536806014255","","","0.71073","MoKα","","0.0334","0.0309","","","0.0799","0.0815","","","","","","1.1","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209299","7.5005","0.0003","9.1759","0.0004","25.0388","0.001","90","","90","","90","","1723.27","0.12","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","1,4-Diazoniabicyclo[2.2.2]octane tetraaquatetrachlorolanthanate(III) chloride","","- C6 H22 Cl5 La N2 O4 -","- C6 H22 Cl5 La N2 O4 -","- C24 H88 Cl20 La4 N8 O16 -","4","0.5","SG2023","Ritchie, Lyndsey K.; Harrison, William T. A.","1,4-Diazoniabicyclo[2.2.2]octane tetraaquatetrachlorolanthanate(III) chloride","Acta Crystallographica Section E","2006","62","6","m1255","m1257","10.1107/S1600536806016898","","","0.71073","MoKα","","0.0245","0.0201","","","0.043","0.0442","","","","","","1.135","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209413","9.519","0.0007","6.9424","0.0004","15.7041","0.0011","90","","90","","90","","1037.8","0.12","170","2","170","2","","","","","","","","5","P n m a","-P 2ac 2n","62","methylammonium tetrathiomolybdate","Bis(methylammonium) tetrathiomolybdate(VI)","","- C2 H12 Mo N2 S4 -","- C2 H12 Mo N2 S4 -","- C8 H48 Mo4 N8 S16 -","4","0.5","BT2106","Srinivasan, Bikshandarkoil R.; Näther, Christian; Naik, Ashish R.; Bensch, Wolfgang","Bis(methylammonium) tetrathiomolybdate(VI)","Acta Crystallographica Section E","2006","62","7","m1635","m1637","10.1107/S1600536806022410","","","0.71073","MoKα","","0.0327","0.0276","","","0.0713","0.0738","","","","","","1.085","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209494","7.161","0.006","4.929","0.004","8.47","0.007","90","","90","","90","","299","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Samarium(III) carbonate hydroxide","","- C H O4 Sm -","- C H O4 Sm -","- C4 H4 O16 Sm4 -","4","0.5","FI2003","Yan Xu; Shao-Hua Ding; Wun-Jun Feng; Guang-Peng Zhou; Yu-Guo Liu","Samarium(III) carbonate hydroxide","Acta Crystallographica Section E","2006","62","7","i147","i149","10.1107/S1600536806022665","","","0.71073","MoKα","","0.0494","0.0465","","","0.119","0.1223","","","","","","1.168","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209563","13.995","0.002","14.227","0.002","7.9682","0.0012","90","","90","","90","","1586.5","0.4","203","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H13 Br3 In N3 -","- C12 H13 Br3 In N3 -","- C48 H52 Br12 In4 N12 -","4","0.5","IS2057","Masumi Itazaki; Rie Ujihara; Hiroshi Nakazawa","<i>fac</i>-[Bis(2-pyridylmethyl)amine-κ^3^<i>N</i>]tribromoindium(III)","Acta Crystallographica Section E","2006","62","7","m1649","m1650","10.1107/S1600536806023269","","","0.7107","MoKα","","0.058","0.0529","","","0.1217","0.1246","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209700","9.0249","0.0006","15.855","0.001","10.8836","0.0007","90","","90","","90","","1557.33","0.17","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","catena-Poly[(2,2'-biquinoline-κ^2^N,N')copper(I)]-μ-isothiocyanato-κ^2^N:S]","","- C19 H12 Cu N3 S -","- C19 H12 Cu N3 S -","- C76 H48 Cu4 N12 S4 -","4","0.5","WW2030","Zhou, Rui; Ng, Seik Weng","<i>catena</i>-Poly[[(2,2'-biquinoline-κ^2^<i>N</i>,<i>N</i>')copper(I)]-μ-isothiocyanato-κ^2^<i>N</i>:<i>S</i>]","Acta Crystallographica Section E","2006","62","7","m1691","m1692","10.1107/S1600536806023804","","","0.71073","MoKα","","0.035","0.03","","","0.082","0.085","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209808","19.7661","0.0007","6.61","0.009","7.4321","0.0008","90","","90","","90","","971","1.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2,2,2-Trifluoro-N-(2-hydroxy-5-nitrophenyl)acetamide","","- C8 H5 F3 N2 O4 -","- C8 H5 F3 N2 O4 -","- C32 H20 F12 N8 O16 -","4","0.5","CI2117","Su-Qin Chen; Jing Zhu; Xiang-Hong Huang; Qian-Feng Zhang","2,2,2-Trifluoro-<i>N</i>-(2-hydroxy-5-nitrophenyl)acetamide","Acta Crystallographica Section E","2006","62","8","o3589","o3590","10.1107/S1600536806028819","","","0.71073","MoKα","","0.0772","0.0691","","","0.1262","0.1422","","","","","","1.078","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2210056","20.883","0.003","12.3458","0.0013","5.0566","0.0005","90","","90","","90","","1303.7","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","4,4'bipyridinium di(fluorotrioxochromate)","","- C10 H10 Cr2 F2 N2 O5 -","- C10 H10 Cr2 F2 N2 O5 -","- C40 H40 Cr8 F8 N8 O20 -","4","0.5","AT2075","Özyürek, Cengiz; Şendil, Kıvılcım; Güneş, Tohit; Dilek, Nefise; Arslan, N. Burcu","4,4'-Bipyridinium μ-oxo-bis(fluorodioxochromate)","Acta Crystallographica Section E","2006","62","9","m2191","m2193","10.1107/S1600536806031692","","","0.71073","MoKα","","0.0872","0.0361","","","0.0689","0.0788","","","","","","0.85","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210270","19.308","0.001","6.949","0.002","11.169","0.002","90","","90","","90","","1498.6","0.5","291","2","291","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","{2,4-Dichloro-6-[2- (dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II)","","- C12 H13 Cl2 N3 Ni O S -","- C12 H13 Cl2 N3 Ni O S -","- C48 H52 Cl8 N12 Ni4 O4 S4 -","4","0.5","HG2089","Yu-Liang Zhang","{2,4-Dichloro-6-[2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II)","Acta Crystallographica Section E","2006","62","9","m2111","m2112","10.1107/S1600536806030789","","","0.71073","MoKα","","0.0605","0.041","","","0.0913","0.0989","","","","","","1.038","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210408","14.981","0.001","15.423","0.001","11.3884","0.0008","90","","90","","90","","2631.3","0.3","147","2","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","Chloro(p-tolylimido-κN)[N,N'-(trimethylsilyl)ferrocene-1,1'- diaminato-κ^2^N,N']vanadium(V)","","- C23 H33 Cl Fe N3 Si2 V -","- C23 H33 Cl Fe N3 Si2 V -","- C92 H132 Cl4 Fe4 N12 Si8 V4 -","4","0.5","WM2041","Westmoreland, Ian; Arnold, John","Chloro(<i>p</i>-tolylimido-κ<i>N</i>)[<i>N</i>,<i>N</i>'-(trimethylsilyl)ferrocene-1,1'-diaminato-κ^2^<i>N</i>,<i>N</i>']vanadium(V)","Acta Crystallographica Section E","2006","62","9","m2272","m2273","10.1107/S1600536806032648","","","0.7107","MoKα","","0.0431","0.0272","","0.0373","","0.0345","","","","","","1.547","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210464","10.28","0.0006","6.912","0.0003","19.0486","0.001","90","","90","","90","","1353.51","0.12","296","","296","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tetramethylammonium hydrogen 4,5-dichlorophthalate","","- C12 H15 Cl2 N O4 -","- C12 H15 Cl2 N O4 -","- C48 H60 Cl8 N4 O16 -","4","0.5","AT2096","Bozkurt, Esat; Kartal, İbrahim; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","Tetramethylammonium hydrogen 4,5-dichlorophthalate","Acta Crystallographica Section E","2006","62","10","o4258","o4260","10.1107/S1600536806034660","","","0.71073","MoKα","","0.0401","0.0337","","","0.0919","0.0954","","","","","","1.028","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210514","6.141","0.0012","6.789","0.0014","16.071","0.003","90","","90","","90","","670","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","5-Bromo-2-iodopyrimidine","","- C4 H2 Br I N2 -","- C4 H2 Br I N2 -","- C16 H8 Br4 I4 N8 -","4","0.5","BT2153","Xing, Zhi-Tao; Wang, Hai-Bo; Ding, Wei-Lin; Liu, Zhi-Qian; Wang, Pin-Liang","5-Bromo-2-iodopyrimidine","Acta Crystallographica Section E","2006","62","10","o4238","o4239","10.1107/S1600536806034799","","","0.71073","MoKα","","0.0997","0.0479","","","0.0785","0.0909","","","","","","0.999","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210774","12.0976","0.0009","6.5816","0.0005","8.8093","0.0006","90","","90","","90","","701.41","0.09","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Thallium lead tetrathiophosphate","","- P Pb S4 Tl -","- P Pb S4 Tl -","- P4 Pb4 S16 Tl4 -","4","0.5","SG2059","Belkyal, Imane; El Azhari, Mohamed; Bensch, Wolfgang; Depmeier, Wulf","TlPbPS~4~","Acta Crystallographica Section E","2006","62","10","i210","i212","10.1107/S1600536806036531","","","0.71073","MoKα","","0.0599","0.046","","","0.1177","0.1252","","","","","","1","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210785","19.145","0.001","6.732","0.001","11.31","0.002","90","","90","","90","","1457.7","0.3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","{4-Chloro-2-[(E)-2- (dimethylamino)ethyliminomethyl]phenolato}thiocyanatocobalt(II)","","- C12 H14 Cl Co N3 O S -","- C12 H14 Cl Co N3 O S -","- C48 H56 Cl4 Co4 N12 O4 S4 -","4","0.5","SJ2117","San-Jun Peng; Hai-Yun Hou","{4-Chloro-2-[(<i>E</i>)-2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatocobalt(II)","Acta Crystallographica Section E","2006","62","10","m2535","m2537","10.1107/S1600536806035550","","","0.71073","MoKα","","0.0557","0.0413","","","0.106","0.1141","","","","","","1.054","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210858","7.967","0.0016","28.525","0.006","5.724","0.0011","90","","90","","90","","1300.8","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,3-Bis(4-Chlorophenyl)thiourea","","- C13 H10 Cl N2 S -","- C13 H10 Cl N2 S -","- C52 H40 Cl4 N8 S4 -","4","0.5","AT2127","Yong-Qi Qin; Fang-Fang Jian; Tong-Ling Liang","1,3-Bis(4-chlorophenyl)thiourea","Acta Crystallographica Section E","2006","62","11","o5043","o5044","10.1107/S1600536806040499","","","0.71073","MoKα","","0.1022","0.0611","","","0.1652","0.1872","","","","","","1.1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211306","11.148","0.0002","7.0072","0.0002","16.7188","0.0004","90","","90","","90","","1306.01","0.05","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","0.5","BT2213","Li, Yin-Huai","6-<i>tert</i>-Butylnaphthalene-2,3-dicarbonitrile","Acta Crystallographica Section E","2006","62","12","o5935","o5936","10.1107/S1600536806050525","","","0.71073","MoKα","","0.0466","0.0364","","","0.1094","0.1173","","","","","","1.08","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211562","9.211","0.002","14.162","0.003","9.772","0.002","90","","90","","90","","1274.7","0.5","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Quinolinium tetrachloroferrate(III)","","- C9 H8 Cl4 Fe N -","- C9 H8 Cl4 Fe N -","- C36 H32 Cl16 Fe4 N4 -","4","0.5","OB2098","Dariusz Wyrzykowski; Artur Sikorski; Antoni Konitz; Zygmunt Warnke","Quinolinium tetrachloroferrate(III)","Acta Crystallographica Section E","2006","62","12","m3562","m3564","10.1107/S1600536806049683","","","0.71073","MoKα","","0.111","0.0397","","","0.0831","0.1011","","","","","","1.002","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211655","9.8287","0.0002","7.5642","0.0001","12.7905","0.0002","90","","90","","90","","950.93","0.03","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Caesium calcium cyclo-triphosphate","","- Ca Cs O9 P3 -","- Ca Cs O9 P3 -","- Ca4 Cs4 O36 P12 -","4","0.5","WM2070","Zatovsky, Igor V.; Strutynska, Nataliya Yu.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.; Shishkin, Oleg V.","Caesium calcium <i>cyclo</i>-triphosphate, CsCaP~3~O~9~","Acta Crystallographica Section E","2006","62","12","i263","i265","10.1107/S160053680604832X","","","0.71073","MoKα","","0.0294","0.0199","","","0.0377","0.0411","","","","","","1.131","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211721","10.518","0.003","6.706","0.002","13.652","0.006","90","","90","","90","","962.9","0.6","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","5,7-Dimethoxy-2H-chromen-2-one","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","0.5","BH2068","Hu, Zhi-Yan; Fan, Jie-Ping","5,7-Dimethoxy-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2007","63","1","o345","o346","10.1107/S1600536806053803","","","0.71073","MoKα","","0.0542","0.0323","","","0.0803","0.0903","","","","","","1.062","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211772","10.6695","0.0018","13.113","0.002","12.488","0.002","90","","90","","90","","1747.2","0.5","294","2","294","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Triphenylphosphonium perchlorate","","- C18 H16 Cl O4 P -","- C18 H16 Cl O4 P -","- C72 H64 Cl4 O16 P4 -","4","0.5","CI2247","Jing Zhu; Ji-Xiang Dai; Qian-Feng Zhang","Triphenylphosphonium perchlorate","Acta Crystallographica Section E","2007","63","1","o363","o364","10.1107/S1600536806054110","","","0.71073","MoKα","","0.0726","0.0529","","","0.134","0.1488","","","","","","1.026","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211796","20.0447","0.0007","7.6833","0.0002","4.91966","0.00017","90","","90","","90","","757.67","0.04","173","","173","","","","","","","","","7","P n m a","-P 2ac 2n","62","","Sodium trifluoromethanesulfonate acetonitrile solvate","","- C3 H3 F3 N Na O3 S -","- C3 H3 F3 N Na O3 S -","- C12 H12 F12 N4 Na4 O12 S4 -","4","0.5","DN2106","A. Meffre; M. Barboiu; A. van der Lee","Sodium trifluoromethanesulfonate acetonitrile solvate","Acta Crystallographica Section E","2007","63","1","m255","m257","10.1107/S1600536806053918","","","0.71073","MoKα","","0.0798","0.0353","","0.084","0.0802","0.084","","","","","","0.7114","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211905","6.8462","0.0003","11.4379","0.0007","19.2654","0.0007","90","","90","","90","","1508.6","0.13","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","p-Phenylenediammonium tetrabromoaurate(III) bromide monohydrate","","- C6 H12 Au Br5 N2 O -","- C6 H12 Au Br5 N2 O -","- C24 H48 Au4 Br20 N8 O4 -","4","0.5","NG2170","Rajeswaran, Manju; Bringley, Joseph F.; Cleary, Brian","<i>p</i>-Phenylenediammonium tetrabromoaurate(III) bromide monohydrate","Acta Crystallographica Section E","2007","63","1","m181","m183","10.1107/S1600536806052810","","","0.71073","MoKα","","0.1253","0.0823","","","0.1827","0.2107","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212045","18.372","0.004","6.7816","0.0014","16.833","0.003","90","","90","","90","","2097.2","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,6-Di-tert-butyl-4-[(1-methyl-1H-benzimidazol-2-yl)imino]cyclohexa- 2,5-dien-1-one","","- C22 H27 N3 O -","- C22 H27 N3 O -","- C88 H108 N12 O4 -","4","0.5","BI2151","Oleg Ya. Borbulevych","2,6-Di-<i>tert</i>-butyl-4-[(1-methyl-1<i>H</i>-benzimidazol-2-yl)imino]cyclohexa-2,5-dien-1-one","Acta Crystallographica Section E","2007","63","2","o976","o977","10.1107/S1600536807003315","","","0.71073","MoKα","","0.149","0.0638","","","0.1715","0.2144","","","","","","0.996","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212087","19.338","0.001","6.994","0.001","11.288","0.002","90","","90","","90","","1526.7","0.4","298","2","298","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","{2-Bromo-4-chloro-6-[2- (dimethylamino)ethyliminomethyl]phenolato)thiocyanatonickel(II)","","- C12 H13 Br Cl N3 Ni O S -","- C12 H13 Br Cl N3 Ni O S -","- C48 H52 Br4 Cl4 N12 Ni4 O4 S4 -","4","0.5","CI2254","Xiao-Fan Zhao","{2-Bromo-4-chloro-6-[2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II)","Acta Crystallographica Section E","2007","63","2","m433","m434","10.1107/S1600536807000451","","","0.71073","MoKα","","0.0523","0.0428","","","0.1033","0.1095","","","","","","1.047","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212111","16.0264","0.0004","6.3621","0.0001","7.1476","0.0001","90","","90","","90","","728.78","0.02","100","0.1","100","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","4-Methoxy-2-nitroaniline","4-Methoxy-2-nitroaniline","","- C7 H8 N2 O3 -","- C7 H8 N2 O3 -","- C28 H32 N8 O12 -","4","0.5","CI2285","Mohd Mustaqim Rosli; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","4-Methoxy-2-nitroaniline","Acta Crystallographica Section E","2007","63","2","o1039","o1040","10.1107/S1600536807004266","","","0.71073","MoKα","","0.0367","0.0332","","","0.1005","0.104","","","","","","1.079","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212150","17.814","0.002","6.8175","0.0008","8.7449","0.0011","90","","90","","90","","1062","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,4,6-trimethylanilinium iodide","","- C9 H14 I N -","- C9 H14 I N -","- C36 H56 I4 N4 -","4","0.5","FB2038","Lemmerer, Andreas; Billing, David G.","2,4,6-Trimethylanilinium iodide","Acta Crystallographica Section E","2007","63","2","o929","o931","10.1107/S160053680700253X","","","0.71073","MoKα","","0.0276","0.0228","","","0.0583","0.0598","","","","","","1.063","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212185","8.4127","0.0008","11.727","0.001","8.108","0.0008","90","","90","","90","","799.9","0.13","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Poly[methylammonium tri-μ~2~-formato-κ^6^O:O'-zinc(II)]","","- C4 H9 N O6 Zn -","- C4 H9 N O6 Zn -","- C16 H36 N4 O24 Zn4 -","4","0.5","HB2247","Chun-Xiang Wang; Xiao-Mei Zhou; Wen-Yuan Shi","Poly[methylammonium tri-μ~2~-formato-κ^6^<i>O</i>:<i>O</i>'-zinc(II)]","Acta Crystallographica Section E","2007","63","2","m411","m412","10.1107/S1600536806056248","","","0.71073","MoKα","","0.0549","0.0504","","","0.1101","0.1151","","","","","","1.042","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212239","10.174","0.003","12.312","0.003","12.711","0.004","90","","90","","90","","1592.2","0.8","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis(3-aminopyridine-κN)diisothiocyanatozinc(II)","","- C12 H12 N6 S2 Zn -","- C12 H12 N6 S2 Zn -","- C48 H48 N24 S8 Zn4 -","4","0.5","HY2035","Wan-Long Pan; Xue-Li Niu; Wang Tang; Chang-Wen Hu","Bis(3-aminopyridine-κ<i>N</i>)diisothiocyanatozinc(II)","Acta Crystallographica Section E","2007","63","2","m304","m305","10.1107/S1600536806054791","","","0.71073","MoKα","","0.0474","0.0294","","","0.0722","0.0869","","","","","","1.086","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212384","11.4971","0.0016","8.5239","0.0012","14.317","0.002","90","","90","","90","","1403.1","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Bis(trimethylphosphine)gold(I) hexafluorophosphate","Bis(trimethylphosphine-κP)gold(I) hexafluorophosphate","","- C6 H18 Au F6 P3 -","- C6 H18 Au F6 P3 -","- C24 H72 Au4 F24 P12 -","4","0.5","TK2119","Horvath, Ulrike E. I.; Raubenheimer, Helgard G.","Bis(trimethylphosphine-κ<i>P</i>)gold(I) hexafluorophosphate","Acta Crystallographica Section E","2007","63","2","m567","m568","10.1107/S1600536807001699","","","0.71073","MoKα","","0.019","0.018","","","0.046","0.046","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2212403","13.448","0.006","10.518","0.005","6.75","0.004","90","","90","","90","","954.8","0.8","295","2","295","3","","","","","","","","4","P n m a","-P 2ac 2n","62","","pentaamminechlorogallium(III) dichloride","","- Cl3 Ga H15 N5 -","- Cl3 Ga H15 N5 -","- Cl12 Ga4 H60 N20 -","4","0.5","WM2091","Hisanori Yamane; Yutaka Mikawa; Chiaki Yokoyama","Pentaamminechlorogallium(III) dichloride","Acta Crystallographica Section E","2007","63","2","i59","i61","10.1107/S1600536807003388","","","0.71073","MoKα","","0.0248","0.0215","","","0.0518","0.0533","","","","","","1.065","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212457","16.67","0.003","20.95","0.004","13.996","0.003","90","","90","","90","","4887.9","1.7","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Tetrapyridinium α-dodecamolybdosilicate hemihydrate","","- C20 H25 Mo12 N4 O40.5 Si -","- C20 H25 Mo12 N4 O40.5 Si -","- C80 H100 Mo48 N16 O162 Si4 -","4","0.5","BI2142","Dang, Dong-Bin; Jin, Ya-Nan","Tetrapyridinium α-dodecamolybdosilicate hemihydrate","Acta Crystallographica Section E","2007","63","3","m881","m883","10.1107/S1600536807007040","","","0.71073","MoKα","","0.0589","0.0542","","","0.1465","0.1498","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2212543","10.0871","0.0016","5.8845","0.001","4.682","0.0008","90","","90","","90","","277.91","0.08","150","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Lithium nickel iron phosphate","Lithium ferrous nickel phosphate","","- Fe0.34 Li Ni0.66 O4 P -","- Fe0.34 Li Ni0.66 O4 P -","- Fe1.36 Li4 Ni2.64 O16 P4 -","4","0.5","FI2029","Liang, Gan; Benson, Ronald E.; Jiying Li; David Vaknin; Daniels, Lee M.","LiNi~0.66~Fe~0.34~PO~4~","Acta Crystallographica Section E","2007","63","3","i73","i74","10.1107/S1600536807007507","","","0.71075","MoKα","","0.022","0.0203","","","0.0429","0.0435","","","","","","1.179","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212720","14.322","0.006","13.32","0.005","8.504","0.003","90","","90","","90","","1622.3","1.1","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dichloridotris(2-methyl-1H-imidazole-κN^3^)copper(II)","","- C12 H18 Cl2 Cu N6 -","- C12 H18 Cl2 Cu N6 -","- C48 H72 Cl8 Cu4 N24 -","4","0.5","WK2050","Xiao-Yong Qiu; Zuo-Xiang Wang; Bu-Gao Zhou; Ping-Feng Wu","Dichloridotris(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)","Acta Crystallographica Section E","2007","63","3","m884","m885","10.1107/S1600536807007180","","","0.71073","MoKα","","0.0454","0.0357","","","0.0679","0.069","","","","","","1.068","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212788","18.831","0.002","6.961","0.0007","9.6196","0.0004","90","","90","","90","","1260.96","0.19","299","2","299","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2,2,2-Trimethyl-N-(2,4,5-trichlorophenyl)acetamide","","- C11 H12 Cl3 N O -","- C11 H12 Cl3 N O -","- C44 H48 Cl12 N4 O4 -","4","0.5","BT2283","B. Thimme Gowda; Sabine Foro; Hartmut Fuess","2,2,2-Trimethyl-<i>N</i>-(2,4,5-trichlorophenyl)acetamide","Acta Crystallographica Section E","2007","63","4","o1981","o1982","10.1107/S1600536807013505","","","1.5418","CuKα","","0.0423","0.0378","","","0.1032","0.1071","","","","","","1.097","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212963","7.608","0.0009","30.353","0.003","7.828","0.001","90","","90","","90","","1807.7","0.4","120","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","catena-poly[[tri-μ-aqua-triaquabarium(II)] bis(6-methylpyridin-2-olate)]","","- C12 H24 Ba N2 O8 -","- C12 H24 Ba N2 O8 -","- C48 H96 Ba4 N8 O32 -","4","0.5","LH2341","Nichol, Gary S.; Clegg, William","A synchrotron study of <i>catena</i>-poly[[tri-μ-aqua-triaquabarium(II)] bis(6-methylpyridin-2-olate)]","Acta Crystallographica Section E","2007","63","4","m1135","m1137","10.1107/S1600536807013037","","","0.6751","synchrotron","","0.0498","0.0439","","","0.1029","0.1048","","","","","","1.215","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212982","7.052","0.0016","14.662","0.003","12.121","0.003","90","","90","","90","","1253.3","0.5","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","1,4-Dimethoxyanthracene-9,10-dione","","- C16 H12 O4 -","- C16 H12 O4 -","- C64 H48 O16 -","4","0.5","RK2008","Li-Ping Cao; Yu-Zhou Wang; Meng Gao; Bao-Han Zhou","1,4-Dimethoxyanthracene-9,10-dione","Acta Crystallographica Section E","2007","63","4","o1876","o1877","10.1107/S1600536807012123","","","0.71073","MoKα","","0.0502","0.0458","","","0.1184","0.1219","","","","","","1.071","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213186","15.4","0.005","8.5728","0.0016","14.202","0.005","90","","90","","90","","1875","1","292","2","292","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","Chlorido(ethylenediamine-κ^2^N)(η^5^-pentamethylcyclopentadienyl)iridium(III) trifluoromethanesulfonate","","- C13 H23 Cl F3 Ir N2 O3 S -","- C13 H23 Cl F3 Ir N2 O3 S -","- C52 H92 Cl4 F12 Ir4 N8 O12 S4 -","4","0.5","BT2350","Michael Scharwitz; Tobias van Almsick; William S. Sheldrick","Chlorido(ethylenediamine-κ^2^<i>N</i>)(η^5^-pentamethylcyclopentadienyl)iridium(III) trifluoromethanesulfonate","Acta Crystallographica Section E","2007","63","5","m1469","m1470","10.1107/S1600536807019575","","","0.71073","MoKα","","0.0624","0.037","","","0.0731","0.0794","","","","","","0.992","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2213328","8.8679","0.0006","22.2946","0.0015","10.1532","0.0007","90","","90","","90","","2007.4","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Poly[μ~4~-benzene-1,3-dicarboxylato-di-μ~2~-benzimidazole-dizinc(II)]","","- C11 H7 N2 O2 Zn -","- C22 H14 N4 O4 Zn2 -","- C88 H56 N16 O16 Zn8 -","4","0.5","HB2335","Yun-Cheng Cui; Jia-Jun Wang; Bo Liu; Guang-Gang Gao; Qing-Wei Wang","Poly[μ~4~-benzene-1,3-dicarboxylato-di-μ~2~-benzimidazolato-dizinc(II)]","Acta Crystallographica Section E","2007","63","5","m1204","m1205","10.1107/S1600536807013712","","","0.71073","MoKα","","0.0335","0.0248","","","0.0661","0.0703","","","","","","1.006","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213389","15.5869","0.0006","13.1068","0.0005","9.0349","0.0004","90","","90","","90","","1845.78","0.13","293","2","150","","","","","","","","","7","P n m a","-P 2ac 2n","62","","<i>fac</i>-Aqua(bipyrazine)tricarbonylrhenium(I) hexafluorophosphate dihydrate","","- C11 H12 F6 N4 O6 P Re -","- C11 H12 F6 N4 O6 P Re -","- C44 H48 F24 N16 O24 P4 Re4 -","4","0.5","HK2150","Rillema, D. Paul; Kirgan, Robert A.; Smucker, Bradley; Curtis Moore","<i>fac</i>-Aqua(2,2'-bipyrazine)tricarbonylrhenium(I) hexafluorophosphate dihydrate","Acta Crystallographica Section E","2007","63","5","m1404","m1405","10.1107/S1600536807017734","","","0.71073","MoKα","","0.0161","0.0161","","","0.037","0.037","","","","","","1.169","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213502","19.674","0.003","6.9319","0.0011","5.7038","0.001","90","","90","","90","","777.9","0.2","115","","115","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Bromomethyl)trimethylammonium bromide","","- C4 H11 Br2 N -","- C4 H11 Br2 N -","- C16 H44 Br8 N4 -","4","0.5","PK2016","Fletcher Claville, Michelle O.; Payne, Roosevelt J.; Parker, Brandon C.; Fronczek, Frank R.","(Bromomethyl)trimethylammonium bromide","Acta Crystallographica Section E","2007","63","5","o2601","o2601","10.1107/S1600536807018235","","","0.71073","MoKα","","0.05","0.038","","","0.107","0.114","","","","","","1.04","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213682","15.7347","0.0008","8.1216","0.0004","7.8885","0.0004","90","","90","","90","","1008.08","0.09","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Guanidinium benzoate","","- C8 H11 N3 O2 -","- C8 H11 N3 O2 -","- C32 H44 N12 O8 -","4","0.5","BT2327","Pereira Silva, P. S.; Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.","Guanidinium benzoate","Acta Crystallographica Section E","2007","63","6","o2783","o2783","10.1107/S1600536807015802","","","0.71073","MoKα","","0.0508","0.0354","","","0.0914","0.1014","","","","","","1.041","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213745","10.9563","0.0014","6.4983","0.0008","23.589","0.003","90","","90","","90","","1679.5","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dimethyl 1<i>H</i>-pyrazole-3,5-dicarboxylate","","- C7 H8 N2 O4 -","- C7 H8 N2 O4 -","- C56 H64 N16 O32 -","8","1","DN2164","Jun-Ping Xiao; Qing-Xiang Zhou; Jia-Hongwen Tu","Dimethyl 1<i>H</i>-pyrazole-3,5-dicarboxylate","Acta Crystallographica Section E","2007","63","6","o2785","o2785","10.1107/S1600536807019642","","","0.71073","MoKα","","0.0593","0.0443","","","0.0994","0.1063","","","","","","0.966","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213793","14.158","0.002","35.39","0.005","7.2215","0.0011","90","","90","","90","","3618.3","0.9","292","1","292","1","","","","","","","","2","P n m a","-P 2ac 2n","62","5,12-bis-(4-tert-butyl-phenyl)-6,12-diphenyl-naphthacene","5,12-Bis(4-tert-butyl-phenyl)-6,11-diphenylnaphthacene","","- C50 H44 -","- C50 H44 -","- C200 H176 -","4","0.5","HB2400","Schuck, Götz; Haas, Simon; Stassen, Arno F.; Kirner, Hans-Jörg; Batlogg, Bertram","5,12-Bis(4-<i>tert</i>-butylphenyl)-6,11-diphenylnaphthacene","Acta Crystallographica Section E","2007","63","6","o2893","o2893","10.1107/S1600536807022489","","","0.71073","MoKα","","0.1167","0.0742","","","0.1806","0.2072","","","","","","1.154","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2213805","19.31","0.02","11.77","0.01","6.958","0.006","90","","90","","90","","1581","3","123.1","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","(Benzoato-κ^2^<i>O</i>,<i>O</i>')chlorido(di-2-pyridylamine- κ^2^<i>N</i>,<i>N</i>')copper(II)","","- C17 H14 Cl Cu N3 O2 -","- C17 H14 Cl Cu N3 O2 -","- C68 H56 Cl4 Cu4 N12 O8 -","4","0.5","HB2414","Okabe, Nobuo; Tsuji, Akio; Yodoshi, Masahiro","(Benzoato-κ^2^<i>O</i>,<i>O</i>')chlorido(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section E","2007","63","6","m1756","m1757","10.1107/S1600536807023495","","","0.7107","MoKα","","","0.025","","","","0.072","","","","","","1.124","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2213945","9.1728","0.0007","6.352","0.0005","16.6567","0.0012","90","","90","","90","","970.51","0.13","294","2","294","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Creatininium hydrogen oxalate monohydrate","","- C6 H11 N3 O6 -","- C6 H11 N3 O6 -","- C24 H44 N12 O24 -","4","0.5","RZ2133","S. Asath Bahadur; R. Sayee Kannan; B. Sridhar","Creatininium hydrogen oxalate monohydrate","Acta Crystallographica Section E","2007","63","6","o2387","o2389","10.1107/S1600536807021162","","","0.71073","MoKα","","0.0349","0.0339","","","0.0959","0.0975","","","","","","1.112","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213988","17.5348","0.0015","5.6159","0.0003","10.8542","0.0011","90","","90","","90","","1068.85","0.15","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","trineodymium silicotetramolybdate","","- Mo4 Nd3 O14 Si -","- Mo4 Nd3 O14 Si -","- Mo16 Nd12 O56 Si4 -","4","0.5","WM2113","Gougeon, P.; Gall, P.","Nd~3~Mo~4~SiO~14~","Acta Crystallographica Section E","2007","63","6","i143","i143","10.1107/S1600536807024798","","","0.71069","MoKα","","0.0513","0.0367","","","0.0819","0.0846","","","","","","1.377","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2214071","12.2985","0.0008","6.6003","0.0006","8.7957","0.0006","90","","90","","90","","713.98","0.09","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Thallium strontium tetrathiophosphate","","- P S4 Sr Tl -","- P S4 Sr Tl -","- P4 S16 Sr4 Tl4 -","4","0.5","BR2039","Belkyal, Imane; El Azhari, Mohamed; Näther, Christian; Bensch, Wolfgang; Depmeier, Wulf","TlSrPS~4~, the first strontium quaternary thiophosphate","Acta Crystallographica Section E","2007","63","7","i166","i166","10.1107/S1600536807025445","","","0.71073","MoKα","","0.0443","0.0334","","","0.0794","0.0838","","","","","","1.025","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214115","17.952","0.001","14.381","0.001","6.6707","0.0005","90","","90","","90","","1722.2","0.2","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","1,1'-(Ethane-1,2-diyl)dipyridinium dibromidodichloridomercurate(II)","","- C12 H14 Br2 Cl2 Hg N2 -","- C12 H14 Br2 Cl2 Hg N2 -","- C48 H56 Br8 Cl8 Hg4 N8 -","4","0.5","CI2386","Wang, Qing-Li; Yang, Chang-Chun; Niu, Yun-Yin; Liu, Xiu-Cun; Ng, Seik Weng","1,1'-(Ethane-1,2-diyl)dipyridinium dibromidodichloridomercurate(II)","Acta Crystallographica Section E","2007","63","7","m1892","m1892","10.1107/S1600536807027444","","","0.71073","MoKα","","0.041","0.034","","","0.098","0.102","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214166","16.5632","0.0002","6.7242","0.0002","7.6849","0.0003","90","","90","","90","","855.9","0.04","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","o-toluidinium nitrate","2-Methylanilinium nitrate","","- C7 H10 N2 O3 -","- C7 H10 N2 O3 -","- C28 H40 N8 O12 -","4","0.5","DN2199","Nourredine Benali-Cherif; Houda Boussekine; Zina Boutobba; Alima Kateb","2-Methylanilinium nitrate","Acta Crystallographica Section E","2007","63","7","o3287","o3287","10.1107/S1600536807029716","","","0.71073","MoKα","","0.0916","0.0498","","","0.1151","0.135","","","","","","1.046","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214170","13.847","0.002","7.096","0.0012","12.467","0.002","90","","90","","90","","1225","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3-(1,3-Dioxolan-2-yl)-6,7-dimethoxyquinoline","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","0.5","DN2203","Benameur, Ahmed; Rhouati, Salah; Bouacida, Sofiane; Roisnel, Thierry; Touchard, Daniel","3-(1,3-Dioxolan-2-yl)-6,7-dimethoxyquinoline","Acta Crystallographica Section E","2007","63","7","o3315","o3316","10.1107/S160053680703019X","","","0.71073","MoKα","","0.0483","0.045","","","0.1281","0.1309","","","","","","1.065","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2214203","11.3261","0.0018","6.318","0.0012","7.3389","0.0011","90","","90","","90","","525.16","0.15","150","1","150","1","","","","","","","","4","P n m a","-P 2ac 2n","62","2-pyrazinic acid","pyrazine-2-carboxylic acid","","- C5 H4 N2 O2 -","- C5 H4 N2 O2 -","- C20 H16 N8 O8 -","4","0.5","GK2089","Małecki, Jan Grzegorz; Kruszynski, Rafal; Kusz, Joachim","The orthorhombic polymorph of pyrazine-2-carboxylic acid revisited","Acta Crystallographica Section E","2007","63","7","o3300","o3300","10.1107/S1600536807030036","","","0.71073","MoKα","","0.0467","0.0301","","","0.0775","0.0833","","","","","","0.961","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214395","7.8478","0.0008","10.3924","0.001","15.4582","0.0016","90","","90","","90","","1260.7","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dichlorido-1κ^2^Cl-μ-[(1,2,5,6-η:3,4,7,8-η)-1,3,5,7- cyclooctatetraene]dimethyl-2κ^2^C-diplatinum(II)","","- C10 H14 Cl2 Pt2 -","- C10 H14 Cl2 Pt2 -","- C40 H56 Cl8 Pt8 -","4","0.5","SK3133","Song, Ah-Ran; Hwang, In-Chul; Ha, Kwang","Dichlorido-1κ^2^Cl-μ-[(1,2,5,6-η:3,4,7,8-η)-1,3,5,7-cyclooctatetraene]dimethyl-2κ^2^<i>C</i>-diplatinum(II)","Acta Crystallographica Section E","2007","63","7","m1878","m1878","10.1107/S1600536807028036","","","0.71073","MoKα","","0.0648","0.0576","","","0.1407","0.1445","","","","","","1.203","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214427","10.0579","0.0009","7.2362","0.0005","12.774","0.0009","90","","90","","90","","929.7","0.12","170","2","170","2","","","","","","","","3","P n m a","-P 2ac 2n","62","cesium tetrathiotungstate","dicaesium tetrathiotungstate(VI)","","- Cs2 S4 W -","- Cs2 S4 W -","- Cs8 S16 W4 -","4","0.5","WM2130","Srinivasan, Bikshandarkoil R.; Näther, Christian; Bensch, Wolfgang","Cs~2~[WS~4~]","Acta Crystallographica Section E","2007","63","7","i167","i167","10.1107/S1600536807031029","","","0.71073","MoKα","","0.0325","0.0268","","","0.0665","0.0688","","","","","","1.032","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214429","17.955","0.002","14.338","0.001","6.6437","0.0006","90","","90","","90","","1710.3","0.3","295","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Ethylenedipyridinium dibromidodichloridocadmate(II)","","- C12 H14 Br2 Cd Cl2 N2 -","- C12 H14 Br2 Cd Cl2 N2 -","- C48 H56 Br8 Cd4 Cl8 N8 -","4","0.5","WN2141","Liu, Xiu-Cun; Liao, Xin-Cheng; Ran, Chun-Ling; Niu, Yun-Yin; Ng, Seik Weng","Ethylenedipyridinium dibromidodichloridocadmate(II)","Acta Crystallographica Section E","2007","63","7","m1780","m1780","10.1107/S1600536807025585","","","0.71073","MoKα","","0.061","0.057","","","0.175","0.179","","","","","","1.06","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214531","8.5787","0.0008","6.6953","0.0006","4.7438","0.0005","90","","90","","90","","272.47","0.05","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Magnesium sulfate(VI)","","- Mg O4 S -","- Mg O4 S -","- Mg4 O16 S4 -","4","0.5","BR2051","Weil, Matthias","The high-temperature modification of magnesium sulfate (β-MgSO~4~) from single-crystal data","Acta Crystallographica, Section E","2007","63","8","m172","m172","10.1107/S1600536807036355","","","0.71073","MoKα","","0.0226","0.0173","","","0.0443","0.0459","","","","","","1.13","","","","has coordinates","277834","2022-09-14","16:39:45",""
"2214694","25.947","0.004","12.1604","0.0017","4.9456","0.0007","90","","90","","90","","1560.5","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Chlorido(11-methyldipyrido[3,2-a:2',3'-c]phenazine-κ^2^N^4^,N^5^)copper(I)","","- C19 H11 Cl Cu N4 -","- C19 H11 Cl Cu N4 -","- C76 H44 Cl4 Cu4 N16 -","4","0.5","HB2482","Chuan-Bi Li; Shi Zhou; Guang-Gang Gao; Bo Liu","Chlorido(11-methyldipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine-κ^2^<i>N</i>^4^,<i>N</i>^5^)copper(I)","Acta Crystallographica Section E","2007","63","8","m2229","m2229","10.1107/S1600536807036173","","","0.71073","MoKα","","0.1181","0.0566","","","0.1642","0.2026","","","","","","1.019","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214811","12.1368","0.0005","15.4218","0.0006","6.5656","0.0004","90","","90","","90","","1228.89","0.1","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dichloridobis(η^5^-methylcyclopentadienyl)hafnium(IV)","","- C12 H14 Cl2 Hf -","- C12 H14 Cl2 Hf -","- C48 H56 Cl8 Hf4 -","4","0.5","NG2285","Wisniewska, Aleksandra; Baranowska, Katarzyna; Pikies, Jerzy","Dichloridobis(η^5^-methylcyclopentadienyl)hafnium(IV)","Acta Crystallographica Section E","2007","63","8","m2174","m2174","10.1107/S1600536807029868","","","0.71073","MoKα","","0.0264","0.0259","","","0.0636","0.064","","","","","","1.106","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214872","6.119","0.003","10.22","0.006","14.401","0.008","90","","90","","90","","900.6","0.9","160","2","160","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","catena-Poly[N-methylmorpholinium [nickelate(II)-tri-μ-chlorido]]","","- C5 H12 Cl3 N Ni O -","- C5 H12 Cl3 N Ni O -","- C20 H48 Cl12 N4 Ni4 O4 -","4","0.5","TK2175","Turnbull, Mark M.","<i>catena</i>-Poly[<i>N</i>-methylmorpholinium [nickelate(II)-tri-μ-chlorido]]","Acta Crystallographica Section E","2007","63","8","m2148","m2148","10.1107/S1600536807033788","","","0.71073","MoKα","","0.094","0.05","","","0.092","0.106","","","","","","1.02","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215089","7.231","0.005","4.964","0.004","8.489","0.006","90","","90","","90","","304.7","0.4","293","2","293","2","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","poly[μ-hydroxido-μ-carbonato-neodymium]","Gysinite-(Nd)","- C H Nd O4 -","- C H Nd O4 -","- C4 H4 Nd4 O16 -","4","0.5","FI2039","Wun-Jun Feng; Guang-Peng Zhou; Zhao-Bin Liu; Yan Xu","Nd(CO~3~)(OH) from single-crystal data","Acta Crystallographica Section E","2007","63","9","i174","i174","10.1107/S160053680703721X","","","0.71073","MoKα","","0.0212","0.0195","","","0.0491","0.0499","","","","","","1.074","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2215092","11.9016","0.0012","11.9344","0.0012","7.8351","0.0007","90","","90","","90","","1112.89","0.19","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","9-Oxo-4,5-diazoniafluorene sulfate","","- C11 H8 N2 O5 S -","- C11 H8 N2 O5 S -","- C44 H32 N8 O20 S4 -","4","0.5","FL2152","Rillema, D. Paul; Kirgan, Robert; Moore, Curtis","9-Oxo-4,5-diazoniafluorene sulfate","Acta Crystallographica Section E","2007","63","9","o3740","o3740","10.1107/S1600536807038457","","","0.71073","MoKα","","0.086","0.0566","","","0.1221","0.1376","","","","","","1.072","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2215191","8.9827","0.0006","24.8632","0.0016","7.5784","0.0005","90","","90","","90","","1692.55","0.19","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Aqua{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato- κ^4^O,N,N',O'}cobalt(II)","","- C18 H20 Co N2 O5 -","- C18 H20 Co N2 O5 -","- C72 H80 Co4 N8 O20 -","4","0.5","KP2129","Jiang, Gang-Biao; Zhang, Shu-Hua; Zeng, Ming-Hua","Aqua{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}cobalt(II)","Acta Crystallographica Section E","2007","63","9","m2383","m2383","10.1107/S1600536807039487","","","0.71073","MoKα","","0.048","0.0368","","","0.0927","0.101","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215247","8.5731","0.0015","11.858","0.002","14.899","0.003","90","","90","","90","","1514.6","0.5","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis(dimethyloxonium) pentachloridoantimonate(III)","","- C4 H14 Cl5 O2 Sb -","- C4 H14 Cl5 O2 Sb -","- C16 H56 Cl20 O8 Sb4 -","4","0.5","PV2024","Wen-Jie Feng; Zhan Shu; Xin-Jü Ma; Zhi-Min Jin","Bis(dimethyloxonium) pentachloridoantimonate(III)","Acta Crystallographica Section E","2007","63","9","m2411","m2411","10.1107/S1600536807040901","","","0.7107","MoKα","","0.0304","0.0289","","","0.065","0.0657","","","","","","1.178","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215410","8.4906","0.0003","24.6848","0.0007","9.4361","0.0004","90","","90","","90","","1977.7","0.12","298","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","thiopyran","2-[2,6-Bis(4-methoxyphenyl)tetrahydrothiopyran-4-ylidene]malononitrile","","- C22 H20 N2 O2 S -","- C22 H20 N2 O2 S -","- C88 H80 N8 O8 S4 -","4","0.5","CF2145","Thiruvalluvar, A.; Balamurugan, S.; Manimekalai, A.; Anusuya, J.","2-[2,6-Bis(4-methoxyphenyl)tetrahydrothiopyran-4-ylidene]malononitrile","Acta Crystallographica Section E","2007","63","10","o4149","o4149","10.1107/S1600536807046296","","","0.71073","MoKα","","0.0669","0.055","","","0.1714","0.1932","","","","","","1.175","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215452","12.7339","0.0007","14.5313","0.0008","9.7716","0.0006","90","","90","","90","","1808.14","0.18","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>cis</i>-(Cyclobutane-1,1-dicarboxylato)bis(2-methylpyridine)platinum(II)","","- C18 H20 N2 O4 Pt -","- C18 H20 N2 O4 Pt -","- C72 H80 N8 O16 Pt4 -","4","0.5","DN2231","Ming-Jin, Xie; Xi-Zhu Chen; Wei-Ping Liu; Shu-Qian Hou; Qing-Shong Ye","<i>cis</i>-(Cyclobutane-1,1-dicarboxylato)bis(2-methylpyridine)platinum(II)","Acta Crystallographica Section E","2007","63","10","m2589","m2589","10.1107/S1600536807045771","","","0.71073","MoKα","","0.0215","0.017","","","0.0417","0.0436","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2215469","12.051","0.002","4.1223","0.0008","17.58","0.004","90","","90","","90","","873.3","0.3","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","dilanthanum copper indium pentaselenide","","- Cu In La2 Se5 -","- Cu In La2 Se5 -","- Cu4 In4 La8 Se20 -","4","0.5","FI2045","Gulay, L. D.; Daszkiewicz, M.; Huch, M. R.; Pietraszko, A.","Dilanthanum copper indium pentaselenide, La~2~CuInSe~5~","Acta Crystallographica Section E","2007","63","10","i182","i182","10.1107/S1600536807046041","","","0.71073","MoKα","","0.025","0.0204","","","0.0397","0.0409","","","","","","1.124","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215476","13.7876","0.0015","6.5268","0.0007","7.7517","0.0009","90","","90","","90","","697.57","0.13","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","picolinic acid hydrochloride","","- C6 H6 Cl N O2 -","- C6 H6 Cl N O2 -","- C24 H24 Cl4 N4 O8 -","4","0.5","FL2162","Elsegood, Mark R. J.; Hussain, Dasthagir A.; Sanchez-Ballester, Noelia M.","Redetermination of picolinic acid hydrochloride at 150 K","Acta Crystallographica Section E","2007","63","10","o4044","o4044","10.1107/S1600536807044030","","","0.71073","MoKα","","0.0331","0.0293","","","0.0797","0.0823","","","","","","1.126","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215595","11.162","0.002","17.432","0.004","13.794","0.003","90","","90","","90","","2684","1","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Di-μ-iodo-bis[(4,4'-dimethyl-2,2'-bipyridine)copper(I)]","","- C24 H24 Cu2 I2 N4 -","- C24 H24 Cu2 I2 N4 -","- C96 H96 Cu8 I8 N16 -","4","0.5","LN3051","Feng, Hua; Hu, Dong-Cheng; Guo, Hui-Xia; Zha, Fei; Hu, Chang-Qiu","Di-μ-iodo-bis[(4,4'-dimethyl-2,2'-bipyridine)copper(I)]","Acta Crystallographica Section E","2007","63","10","m2538","m2538","10.1107/S1600536807018041","","","0.71073","MoKα","","0.0707","0.0503","","","0.1189","0.1294","","","","","","1.099","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215634","12.758","0.003","21.015","0.006","12.828","0.004","90","","90","","90","","3439.3","1.7","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Tetraaqua(2,2'-bipyridine)zinc(II) 4,4'-(6-diethylamino-1,3,5-triazine-2,4-diyldiimino)dibenzenesulfonate","","- C29 H36 N8 O10 S2 Zn -","- C29 H36 N8 O10 S2 Zn -","- C116 H144 N32 O40 S8 Zn4 -","4","0.5","PK2046","Jie Chen; Yuzhong Ruan","Tetraaqua(2,2'-bipyridine)zinc(II) 4,4'-(6-diethylamino-1,3,5-triazine-2,4-diyldiimino)dibenzenesulfonate","Acta Crystallographica Section E","2007","63","10","m2586","m2586","10.1107/S1600536807045849","","","0.71073","MoKα","","0.0624","0.0528","","","0.13","0.1362","","","","","","1.074","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215850","7.8303","0.0003","23.973","0.001","13.3136","0.0005","90","","90","","90","","2499.17","0.17","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","catena-Poly[[aqua(<i>N</i>,<i>N</i>-dimethylformamide-κO)strontium(II)]- bis[μ-2-(4-carboxyphenoxy)propionato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>']]","","- C23 H27 N O12 Sr -","- C23 H27 N O12 Sr -","- C92 H108 N4 O48 Sr4 -","4","0.5","CI2486","Li-Li Kong; Shan Gao; Li-Hua Huo; Ng, Seik Weng","<i>catena</i>-Poly[[aqua(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)strontium(II)]-bis[μ-2-(4-carboxyphenoxy)propionato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>']]","Acta Crystallographica Section E","2007","63","11","m2849","m2849","10.1107/S1600536807052166","","","0.71073","MoKα","","0.0777","0.0591","","","0.162","0.1831","","","","","","1.17","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215869","11.3887","0.0005","24.6558","0.0014","5.1828","0.0002","90","","90","","90","","1455.32","0.12","200","","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","cis-2-(p-Fluoro)phenyl-6-phenyldithian-4-one 1-oxide","2-(4-Fluorophenyl)-6-phenyltetrahydro-2H-thiopyran-4-one 1-oxide","","- C17 H14 F O2 S -","- C17 H14 F O2 S -","- C68 H56 F4 O8 S4 -","4","0.5","CV2320","A. Thiruvalluvar; S. Balamurugan; R. J. Butcher; K. Pandiarajan; D. Devanathan","2-(4-Fluorophenyl)-6-phenyltetrahydro-2<i>H</i>-thiopyran-4-one 1-oxide","Acta Crystallographica Section E","2007","63","11","o4486","o4486","10.1107/S1600536807053111","","","0.71073","MoKα","","0.0881","0.0853","","","0.1691","0.1702","","","","","","1.225","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215928","7.6001","0.0004","9.9758","0.0005","17.5108","0.0008","90","","90","","90","","1327.62","0.11","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","Poly[(nitrato-κO)tris(μ~3~-1<i>H</i>-1,2,4-triazolato)dizinc(II)]","","- C6 H6 N10 O3 Zn2 -","- C6 H6 N10 O3 Zn2 -","- C24 H24 N40 O12 Zn8 -","4","0.5","HB2547","Joseph M. Ellsworth; Smith, Mark D.; Loye, Hans-Conrad zur","Poly[(nitrato-κ<i>O</i>)tris(μ~3~-1<i>H</i>-1,2,4-triazolato)dizinc(II)]: a three-dimensional coordination polymer","Acta Crystallographica Section E","2007","63","11","m2744","m2744","10.1107/S1600536807049574","","","0.71073","MoKα","","0.0268","0.0245","","","0.0609","0.062","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2216042","9.775","0.002","34.665","0.007","12.615","0.003","90","","90","","90","","4274.6","1.6","113","2","113","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","1-Bromo-4-nitro-2-(trifluoromethyl)benzene","","- C7 H3 Br F3 N O2 -","- C7 H3 Br F3 N O2 -","- C140 H60 Br20 F60 N20 O40 -","20","2.5","LH2517","Shang, Zhenhua; Yu, Yifeng","1-Bromo-4-nitro-2-(trifluoromethyl)benzene","Acta Crystallographica Section E","2007","63","11","o4266","o4266","10.1107/S1600536807048180","","","0.71073","MoKα","","0.0573","0.0479","","","0.0891","0.0927","","","","","","1.225","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216059","13.749","0.006","13.817","0.006","14.771","0.007","90","","90","","90","","2806","2","294","2","294","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","Bis(2-hydroxybenzonitrile-κN)dimethylbis(trimethylphosphine-κP)cobalt(III) iodide","","- C22 H34 Co I N2 O2 P2 -","- C22 H34 Co I N2 O2 P2 -","- C88 H136 Co4 I4 N8 O8 P8 -","4","0.5","LX2017","Yu, Fengli; Zhou, Jin; Li, Xiaoyan","Bis(2-hydroxybenzonitrile-κ<i>N</i>)dimethylbis(trimethylphosphine-κ<i>P</i>)cobalt(III) iodide","Acta Crystallographica Section E","2007","63","11","m2787","m2787","10.1107/S1600536807051690","","","0.71073","MoKα","","0.0962","0.0389","","","0.0796","0.1015","","","","","","0.987","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2216090","10.3029","0.0014","4.7411","0.0005","17.288","0.002","90","","90","","90","","844.47","0.18","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","ammonium lead iodide","","- H4 I3 N Pb -","- H4 I3 N Pb -","- H16 I12 N4 Pb4 -","4","0.5","PK2055","Fan, Le-Qing; Wu, Ji-Huai","NH~4~PbI~3~","Acta Crystallographica Section E","2007","63","11","i189","i189","10.1107/S1600536807050581","","","0.71073","MoKα","","0.0364","0.0333","","","0.0808","0.0827","","","","","","1.016","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216152","9.176","0.0018","7.51","0.0015","10.857","0.002","90","","90","","90","","748.2","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Gallium trichloride‒acetonitrile","(Acetonitrile-κ<i>N</i>)trichloridogallium(III)","","- C2 H3 Cl3 Ga N -","- C2 H3 Cl3 Ga N -","- C8 H12 Cl12 Ga4 N4 -","4","0.5","WM2142","Markus Schaffrath; Axel Schulz; Alexander Villinger","(Acetonitrile-κ<i>N</i>)trichloridogallium(III)","Acta Crystallographica Section E","2007","63","11","m2764","m2764","10.1107/S1600536807043516","","","0.71073","MoKα","","0.0234","0.0171","","","0.041","0.0423","","","","","","1.042","","","","has coordinates,has Fobs","213925","2020-10-21","18:00:00",""
"2216157","12.38","0.002","3.9192","0.0008","6.8818","0.0013","90","","90","","90","","333.9","0.11","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","nickel telluride","","- Ni2.6 Te2 -","- Ni2.6 Te2 -","- Ni10.4 Te8 -","4","0.5","WM2152","Gulay, L. D.; Daszkiewicz, M.; Pietraszko, A.","Evidence of a centre of symmetry: redetermination of Ni~2.60~Te~2~ from single-crystal data","Acta Crystallographica Section E","2007","63","11","i188","i188","10.1107/S1600536807050568","","","0.71073","MoKα","","0.026","0.0254","","","0.0593","0.06","","","","","","1.096","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2216170","17.018","0.002","6.5466","0.0007","9.6698","0.0013","90","","90","","90","","1077.3","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Poly[tetramethylammonium [μ~4~-bromido-di-μ~2~-bromido-dicopper(I)]]","","- C4 H12 Br3 Cu2 N -","- C4 H12 Br3 Cu2 N -","- C16 H48 Br12 Cu8 N4 -","4","0.5","XU2327","Liu, Xi","Poly[tetramethylammonium [μ~4~-bromido-di-μ~2~-bromido-dicuprate(I)]]","Acta Crystallographica Section E","2007","63","11","m2651","m2651","10.1107/S1600536807047885","","","0.71073","MoKα","","0.0461","0.0361","","","0.0906","0.0965","","","","","","1.004","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216180","14.8713","0.0003","21.0882","0.0003","11.9741","0.0002","90","","90","","90","","3755.18","0.11","297","2","297","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Bis(4-carboxypyridinium) aquapentakis(isothiocyanato-κ<i>N</i>)iron(III) bis(pyridinium-4-carboxylate)","","- C29 H24 Fe N9 O9 S5 -","- C29 H24 Fe N9 O9 S5 -","- C116 H96 Fe4 N36 O36 S20 -","4","0.5","ZL2066","Li, Xiu-Ling; Lu, Zai-Sheng; Niu, De-Zhong","Bis(4-carboxypyridinium) aquapentakis(isothiocyanato-κ<i>N</i>)iron(III) bis(pyridinium-4-carboxylate)","Acta Crystallographica Section E","2007","63","11","m2640","m2640","10.1107/S1600536807047460","","","0.71073","MoKα","","0.0736","0.0491","","","0.1138","0.1321","","","","","","1.052","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216239","16.6215","0.0006","6.652","0.0002","11.5581","0.0005","90","","90","","90","","1277.94","0.08","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Methyl 4-[(1-methylcyclopent-3-en-1-yl)carbonyl]benzoate","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","0.5","BG2118","Yang, Chao; Xia, Wujiong; Zhang, Xiao; Li, Bing; Gou, Baoquan","Methyl 4-[(1-methylcyclopent-3-en-1-yl)carbonyl]benzoate","Acta Crystallographica Section E","2007","63","12","o4729","o4729","10.1107/S1600536807052658","","","0.71073","MoKα","","0.0543","0.0407","","","0.1075","0.1156","","","","","","1.062","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216447","6.8646","0.0009","9.7823","0.0013","9.3277","0.0012","90","","90","","90","","626.37","0.14","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Triethynylphosphine oxide","","- C6 H3 O P -","- C6 H3 O P -","- C24 H12 O4 P4 -","4","0.5","FL2164","Kallamadi, Ramnath; Jackson, John A.; Zeller, Matthias","Triethynylphosphine oxide","Acta Crystallographica Section E","2007","63","12","o4563","o4563","10.1107/S1600536807046600","","","0.71073","MoKα","","0.0302","0.0298","","","0.0838","0.0841","","","","","","1.118","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216618","10.069","0.002","14.081","0.003","6.9452","0.0014","90","","90","","90","","984.7","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","julolidine-1,6-dione","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","0.5","LH2533","Wu, Wei-Bing; Wang, Ming-Liang; Ye, Heng-Yun; Sun, Yue-Ming","Julolidine-1,6-dione","Acta Crystallographica Section E","2007","63","12","o4699","o4699","10.1107/S1600536807056802","","","0.71073","MoKα","","0.0932","0.0612","","","0.1468","0.1634","","","","","","1.102","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216658","8.7042","0.0008","6.8013","0.0005","4.7868","0.0005","90","","90","","90","","283.38","0.04","293","2","293","2","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","ferrous sulfate","Iron(II) sulfate","","- Fe O4 S -","- Fe O4 S -","- Fe4 O16 S4 -","4","0.5","MG2037","Weil, Matthias","The high-temperature β modification of iron(II) sulfate","Acta Crystallographica Section E","2007","63","12","i192","i192","10.1107/S160053680705475X","","","0.71073","MoKα","","0.0174","0.0164","","","0.0439","0.0444","","","","","","1.147","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2216677","20.301","0.002","6.9037","0.0008","7.3463","0.0008","90","","90","","90","","1029.6","0.19","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2<i>H</i>,10<i>H</i>-1,4-Dioxepino[5',6':4,5]thieno[3,2- <i>e</i>][1,4]dioxepine-5,7(3<i>H</i>,9<i>H</i>)-dione","","- C10 H8 O6 S -","- C10 H8 O6 S -","- C40 H32 O24 S4 -","4","0.5","NG2356","Tomura, Masaaki; Ono, Katsuhiko; Kaiden, Masanori; Tsukamoto, Kenichi; Saito, Katsuhiro","2<i>H</i>,10<i>H</i>-1,4-Dioxepino[5',6':4,5]thieno[3,2-<i>e</i>][1,4]dioxepine-5,7(3<i>H</i>,9<i>H</i>)-dione","Acta Crystallographica Section E","2007","63","12","o4568","o4569","10.1107/S1600536807054001","","","0.7107","MoKα","","0.0679","0.0656","","","0.1493","0.1506","","","","","","1.121","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2216859","5.8445","0.0001","19.2032","0.0003","12.3216","0.0002","90","","90","","90","","1382.89","0.04","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Dichloridobis(pyridine-3-carbaldehyde-κN)zinc(II)","","- C12 H10 Cl2 N2 O2 Zn -","- C12 H10 Cl2 N2 O2 Zn -","- C48 H40 Cl8 N8 O8 Zn4 -","4","0.5","ZL2084","Yinghua Li; Zhihui Liu; Hong Deng","Dichloridobis(pyridine-3-carbaldehyde-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2007","63","12","m3065","m3065","10.1107/S1600536807057881","","","0.71073","MoKα","","0.0282","0.0218","","","0.0569","0.0607","","","","","","1.047","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216902","24.3288","0.0004","20.6279","0.0004","11.7828","0.0002","90","","90","","90","","5913.22","0.18","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","7,11,15,28-Tetramethyl-1,21,23,25-tetrakis(2-phenylethyl)resorcin[4]arene cavitand ethyl acetate clathrate","7,11,15,28-Tetramethyl-1,21,23,25-tetrakis(2-phenylethyl)-2,20:3,19- dimetheno-1H,21H,23H,25H-bis[1,3]dioxocino[5,4-i:5',4'-i']benzo[1,2-d:5,4-d'] bis[1,3]benzodioxocin stereoisomer","","- C72 H72 O10 -","- C72 H72 O10 -","- C288 H288 O40 -","4","0.5","BI2251","Mc Kay, Michael G.; Friedrich, Holger B.; Maguire, Glenn E. M.","7,11,15,28-Tetramethyl-1,21,23,25-tetrakis(2-phenylethyl)resorcin[4]arene ethyl acetate clathrate","Acta Crystallographica Section E","2008","64","1","o98","o98","10.1107/S160053680705711X","","","0.71073","MoKα","","0.0922","0.063","","","0.1883","0.2088","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2216914","8.3358","0.0006","26.3096","0.0017","5.6923","0.0003","90","","90","","90","","1248.39","0.14","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","10,11-Dihydrodiindeno[1,2-b:2',1'-d]thiophene","","- C18 H12 S -","- C18 H12 S -","- C72 H48 S4 -","4","0.5","BI2268","Afonina, Irina; Coles, Simon J.; Hursthouse, Michael B.; Kanibolotsky, Alexander; Skabara, Peter J.","10,11-Dihydrodiindeno[1,2-<i>b</i>:2',1'-<i>d</i>]thiophene","Acta Crystallographica Section E","2008","64","1","o167","o167","10.1107/S1600536807063684","","","0.71073","MoKα","","","0.0629","","","","0.1586","","","","","","1.069","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216947","13.9418","0.0008","10.9742","0.001","9.1913","0.0006","90","","90","","90","","1406.27","0.18","170","2","170","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","(Di-2-pyridyl sulfide-κ^2^N,N')diiodidozinc(II)","","- C10 H8 I2 N2 S Zn -","- C10 H8 I2 N2 S Zn -","- C40 H32 I8 N8 S4 Zn4 -","4","0.5","BT2649","Wriedt, Mario; Jeß, Inke; Näther, Christian","(Di-2-pyridyl sulfide-κ^2^<i>N</i>,<i>N</i>')diiodidozinc(II)","Acta Crystallographica Section E","2008","64","1","m11","m11","10.1107/S1600536807062502","","","0.71073","MoKα","","0.0357","0.0286","","","0.0702","0.0739","","","","","","1.025","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217013","16.8975","0.0008","11.0467","0.0004","7.3097","0.0003","90","","90","","90","","1364.44","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Piperazin-1-ium-κN^4^)tris(thiocyanato-κN)zinc(II)","","- C7 H11 N5 S3 Zn -","- C7 H11 N5 S3 Zn -","- C28 H44 N20 S12 Zn4 -","4","0.5","DN2286","Xiang He; Hong-Jiang Liu; Ming-Xing Li","(Piperazin-1-ium-κ<i>N</i>^4^)tris(thiocyanato-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2008","64","1","m122","m122","10.1107/S1600536807065087","","","0.71073","MoKα","","0.0942","0.0638","","","0.1397","0.1544","","","","","","1.034","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217035","15.088","0.002","35.028","0.003","5.562","0.003","90","","90","","90","","2939.5","1.7","293","","293","","","","","","","","","7","P n m a","-P 2ac 2n","62","sulfamethoxazole cadmium(II) chloride monohydrate","catena-Poly[bis(sulfamethoxazolium) [[trichloridocadmium(II)]-μ-chlorido] monohydrate]","","- C20 H26 Cd Cl4 N6 O7 S2 -","- C20 H26 Cd Cl4 N6 O7 S2 -","- C80 H104 Cd4 Cl16 N24 O28 S8 -","4","0.5","FI2052","Annamalai Subashini; Packianathan Thomas Muthiah; Gabriele Bocelli; Andrea Cantoni","<i>catena</i>-Poly[bis(sulfamethoxazolium) [[trichloridocadmate(II)]-μ-chlorido] monohydrate]","Acta Crystallographica Section E","2008","64","1","m250","m251","10.1107/S1600536807067190","","","1.54178","CuKα","","0.0461","0.0408","","","0.1068","0.1107","","","","","","1.051","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217108","16.686","0.003","7.064","0.0014","8.213","0.0016","90","","90","","90","","968.1","0.3","294","2","294","2","","","","","","","","4","P n m a","-P 2ac 2n","62","2-bromo-5-iodo-1,3-dimethylbenzene","2-Bromo-5-iodo-1,3-dimethylbenzene","","- C8 H8 Br I -","- C8 H8 Br I -","- C32 H32 Br4 I4 -","4","0.5","HK2261","Rui Liu; Wen-Yuan Wu; Yu-Hao Li; Shui-Ping Deng; Hong-Jun Zhu","2-Bromo-5-iodo-1,3-dimethylbenzene","Acta Crystallographica Section E","2008","64","1","o280","o280","10.1107/S1600536807065415","","","0.71073","MoKα","","0.0916","0.056","","","0.1239","0.1365","","","","","","1.099","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217132","9.8206","0.0018","13.694","0.002","16.261","0.003","90","","90","","90","","2186.8","0.7","220","","220","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tris(propane-1,2-diamine-κ^2^N,N')nickel(II) tetracyanidoplatinate(II)","","- C13 H30 N10 Ni Pt -","- C13 H30 N10 Ni Pt -","- C52 H120 N40 Ni4 Pt4 -","4","0.5","HY2111","Potočňák, Ivan; Vavra, Martin; Steinborn, Dirk; Wagner, Christoph","Tris(propane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) tetracyanidoplatinate(II)","Acta Crystallographica Section E","2008","64","1","m235","m236","10.1107/S1600536807066913","","","0.71073","MoKα","","0.0458","0.0344","","","0.0808","0.0845","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217172","12.456","0.003","11.42","0.002","14.495","0.003","90","","90","","90","","2061.9","0.7","373","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Cyanidophenyltris(trimethylphosphine)cobalt(II)","","- C16 H32 Co N P3 -","- C16 H32 Co N P3 -","- C64 H128 Co4 N4 P12 -","4","0.5","LH2572","Yu, Fengli; Wang, Qibao; Li, Xiaoyan","Cyanidophenyltris(trimethylphosphine)cobalt(II)","Acta Crystallographica Section E","2008","64","1","m112","m112","10.1107/S1600536807064781","","","0.71073","MoKα","","0.0315","0.0294","","","0.0759","0.077","","","","","","1.044","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217251","14.287","0.0011","6.2833","0.0005","12.0019","0.001","90","","90","","90","","1077.4","0.15","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","5,6-Dioxo-1,10-phenanthrolin-1-ium chloride","","- C12 H7 Cl N2 O2 -","- C12 H7 Cl N2 O2 -","- C48 H28 Cl4 N8 O8 -","4","0.5","PR2019","Borel, Cedric; Bond, Andrew D.","5,6-Dioxo-1,10-phenanthrolin-1-ium chloride","Acta Crystallographica Section E","2008","64","1","o34","o34","10.1107/S1600536807061788","","","0.71073","MoKα","","0.0553","0.0331","","","0.0836","0.0926","","","","","","1.044","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217407","9.731","0.0012","13.377","0.0014","16.275","0.003","90","","90","","90","","2118.5","0.5","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Tris(propane-1,2-diamine-κ^2^N,N')nickel(II) tetracyanonickelate(II)","Tris(propane-1,2-diamine-κ^2^N,N')nickel(II) tetracyanidonickelate(II)","","- C13 H30 N10 Ni2 -","- C13 H30 N10 Ni2 -","- C52 H120 N40 Ni8 -","4","0.5","BG2155","Kuchár, Juraj; Černák, Juraj","Tris(propane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) tetracyanidonickelate(II)","Acta Crystallographica Section E","2008","64","2","m324","m325","10.1107/S1600536807068420","","","0.71073","MoKα","","0.0537","0.0369","","","0.0946","0.1002","","","","","","0.916","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217657","9.5591","0.001","7.0006","0.0007","15.734","0.002","90","","90","","90","","1052.9","0.2","170","2","170","2","","","","","","","","5","P n m a","-P 2ac 2n","62","methylammonium tetrathiotungstate","Bis(methylammonium) tetrasulfidotungstate(VI)","","- C2 H12 N2 S4 W -","- C2 H12 N2 S4 W -","- C8 H48 N8 S16 W4 -","4","0.5","SI2066","Srinivasan, Bikshandarkoil R.; Näther, Christian; Bensch, Wolfgang","Bis(methylammonium) tetrasulfidotungstate(VI)","Acta Crystallographica Section E","2008","64","2","m296","m297","10.1107/S1600536807067682","","","0.71073","MoKα","","0.0428","0.0321","","","0.0766","0.0809","","","","","","1.103","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217723","7.5931","0.0005","17.1276","0.0011","10.5132","0.0007","90","","90","","90","","1367.26","0.16","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Tetrapotassium <i>cis</i>-dioxido-<i>trans</i>-bis(sulfato-\ κ<i>O</i>)sulfato(κ^2^<i>O</i>,<i>O</i>')molybdate(VI)","","- K4 Mo O14 S3 -","- K4 Mo O14 S3 -","- K16 Mo4 O56 S12 -","4","0.5","BI2277","Schäffer, Susan J. Cline; Berg, Rolf W.","Tetrapotassium <i>cis</i>-dioxido-<i>trans</i>-bis(sulfato-κ<i>O</i>)sulfato(κ^2^<i>O</i>,<i>O</i>')molybdate(VI)","Acta Crystallographica Section E","2008","64","3","i20","","10.1107/S1600536808003851","","","0.71073","MoKα","","0.0165","0.0163","","","0.0409","0.041","","","","","","1.107","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217766","11.347","0.004","3.7533","0.0007","5.453","0.001","90","","90","","90","","232.24","0.1","298","2","298","2","","","","","","","Marienberg, Saxony, Germany","3","P n m a","-P 2ac 2n","62","lautite","copper arsenic sulfide","Lautite","- As Cu S -","- As Cu S -","- As4 Cu4 S4 -","4","0.5","FI2059","Bindi, Luca; Catelani, Tiziano; Chelazzi, Laura; Bonazzi, Paola","Reinvestigation of the crystal structure of lautite, CuAsS","Acta Crystallographica Section E","2008","64","3","i22","i22","10.1107/S1600536808004492","","","0.71073","MoKα","","0.053","0.0458","","","0.1031","0.108","","","","","","1.094","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2218052","9.379","0.001","8.067","0.001","11.482","0.002","90","","90","","90","","868.7","0.2","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3-Chloroquinuclidinium chloride","","- C7 H13 Cl2 N -","- C7 H15 Cl2 N -","- C28 H60 Cl8 N4 -","4","0.5","BQ2068","Azizul, Isha; Zainudin, Arifin; Ng, Seik Weng","3-Chloroquinuclidinium chloride","Acta Crystallographica Section E","2008","64","5","o911","","10.1107/S1600536808011434","","","0.71073","MoKα","","0.0535","0.0394","","","0.1036","0.1125","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218069","9.9958","0.0001","7.1327","0.0001","6.7365","0.0001","90","","90","","90","","480.293","0.011","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3,4,5,6-tetrahydropyrimidin-2(1<i>H</i>)-one","","- C4 H8 N2 O -","- C4 H8 N2 O -","- C16 H32 N8 O4 -","4","0.5","BV2094","Rizal, Mohd. Razali; Azizul, Isha; Ng, Seik Weng","Low-temperature redetermination of 3,4,5,6-tetrahydropyrimidin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2008","64","5","o914","","10.1107/S160053680801115X","","","0.71073","MoKα","","0.0371","0.0361","","","0.1077","0.1104","","","","","","1.062","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218306","11.488","0.002","6.6085","0.0012","14.65","0.003","90","","90","","90","","1112.2","0.4","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Thiocyanato-κN)bis(thiosemicarbazide-κS)copper(I)","","- C3 H10 Cu N7 S3 -","- C3 H10 Cu N7 S3 -","- C12 H40 Cu4 N28 S12 -","4","0.5","BG2183","Jia, Li; Ma, Shouxin; Li, Dacheng","(Thiocyanato-κ<i>N</i>)bis(thiosemicarbazide-κ<i>S</i>)copper(I)","Acta Crystallographica Section E","2008","64","6","m796","","10.1107/S1600536808013068","","","0.71073","MoKα","","0.0335","0.029","","","0.0758","0.0796","","","","","","1.051","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218470","7.0514","0.0002","9.3852","0.0002","14.6024","0.0004","90","","90","","90","","966.37","0.04","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","<i>N</i>-(2-Methoxyethyl)phthalimide","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","0.5","LH2624","Sim, Yoke Leng; Ariffin, Azhar; Ng, Seik Weng","<i>N</i>-(2-Methoxyethyl)phthalimide","Acta Crystallographica Section E","2008","64","6","o1058","","10.1107/S1600536808013548","","","0.71073","MoKα","","0.0666","0.0591","","","0.1903","0.2059","","","","","","1.114","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218672","17.034","0.006","9.218","0.003","11.092","0.004","90","","90","","90","","1741.7","1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","poly[(diethylenetriamine)tetra-μ-iodido-dilead(II)]","","- C4 H13 I4 N3 Pb2 -","- C4 H13 I4 N3 Pb2 -","- C16 H52 I16 N12 Pb8 -","4","0.5","DN2346","Samet Kallel, E.; Boughzala, H.; Driss, A.; Abid, Y.","The one-dimensional organic inorganic hybrid compound poly[(diethylenetriamine)tetra-μ-iodido-dilead(II)]","Acta Crystallographica Section E","2008","64","7","m921","","10.1107/S1600536808013913","","","0.71073","MoKα","","0.1032","0.0404","","","0.0818","0.0992","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218709","8.5944","0.0005","7.6024","0.0005","19.2949","0.0012","90","","90","","90","","1260.69","0.14","150","2","150","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","9,10-Dihydroxy-4,4-dimethyl-5,8-dihydroanthracen-1(4<i>H</i>)-one","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","0.5","HG2395","Ramírez-Rodríguez, Oney; Martínez-Cifuentes, Maximiliano; Ibañez, Andres; Vega, Andrés; Araya-Maturana, Ramiro","9,10-Dihydroxy-4,4-dimethyl-5,8-dihydroanthracen-1(4<i>H</i>)-one","Acta Crystallographica Section E","2008","64","7","o1316","","10.1107/S1600536808010891","","","0.71073","MoKα","","0.0529","0.0439","","","0.1114","0.1177","","","","","","1.006","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218839","18.541","0.004","6.9572","0.0015","8.5582","0.0017","90","","90","","90","","1104","0.4","123","2","123","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1-Acetyl-5,6-dimethoxyindoline","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","0.5","WK2084","Cheng, Xiang-Wei","1-Acetyl-5,6-dimethoxyindoline at 123 K","Acta Crystallographica Section E","2008","64","7","o1309","","10.1107/S1600536808017376","","","0.71073","MoKα","","0.0603","0.0572","","","0.145","0.1481","","","","","","1.403","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218950","16.373","0.003","6.5627","0.0013","7.9948","0.0016","90","","90","","90","","859","0.3","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-Cyanoanilinium nitrate","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C28 H28 N12 O12 -","4","0.5","CI2636","Cui, Li-Jing; Wen, Xiao-Chun","2-Cyanoanilinium nitrate","Acta Crystallographica Section E","2008","64","8","o1620","","10.1107/S1600536808023313","","","0.71073","MoKα","","0.0856","0.0629","","","0.1531","0.1669","","","","","","1.118","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219186","17.5165","0.0019","3.9266","0.0004","14.3968","0.0015","90","","90","","90","","990.22","0.18","295","2","295","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","trizirconium nickel heptaantimonide","","- Ni Sb7 Zr3 -","- Ni Sb7 Zr3 -","- Ni4 Sb28 Zr12 -","4","0.5","WM2182","Romaka, V.; Tkachuk, A.; Romaka, L.","Zr~3~NiSb~7~: a new antimony-enriched ZrSb~2~ derivative","Acta Crystallographica Section E","2008","64","8","i47","","10.1107/S1600536808020278","","","0.71073","MoKα","","0.0325","0.0244","","","0.0514","0.0535","","","","","","1.183","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219278","7.3844","0.0002","21.5172","0.001","10.2608","0.0004","90","","90","","90","","1630.36","0.11","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2,4-Bis(3-fluorophenyl)-3-azabicyclo[3.3.1]nonan-9-one","","- C20 H19 F2 N O -","- C20 H19 F2 N O -","- C80 H76 F8 N4 O4 -","4","0.5","BX2166","Parthiban, P.; Thirumurugan, K.; Ramkumar, V.; Pazhamalai, S.; Jeong, Yeon Tae","2,4-Bis(3-fluorophenyl)-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2008","64","9","o1708","o1709","10.1107/S1600536808024690","","","0.71073","MoKα","","0.0716","0.0507","","","0.1345","0.1544","","","","","","1.029","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219341","7.6153","0.0003","21.1392","0.0009","10.0878","0.0004","90","","90","","90","","1623.95","0.11","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2,4-Bis(4-fluorophenyl)-3-azabicyclo[3.3.1]nonan-9-one","","- C20 H19 F2 N O -","- C20 H19 F2 N O -","- C80 H76 F8 N4 O4 -","4","0.5","HB2763","Parthiban, P.; Ramkumar, V.; Santan, H. D.; Kim, Jong Tae; Jeong, Yeon Tae","2,4-Bis(4-fluorophenyl)-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2008","64","9","o1710","","10.1107/S1600536808024744","","","0.71073","MoKα","","0.0563","0.0411","","","0.1221","0.1406","","","","","","0.911","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219675","22.3794","0.0008","12.3852","0.0007","7.2404","0.0003","90","","90","","90","","2006.85","0.16","273","2","273","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Pentacarbonyl-2κ<i>^5^C-</i>chlorido-1κ<i>Cl-</i>bis[1(η^5^)-\ cyclopentadienyl][μ~2~-oxido(methyl)methylene-1:2κ^2^<i>O</i>:<i>C</i>]\ tungsten(IV)zirconium(0)","","- C17 H13 Cl O6 W Zr -","- C17 H13 Cl O6 W Zr -","- C68 H52 Cl4 O24 W4 Zr4 -","4","0.5","OM2260","Esterhuysen, Catharine; Neveling, Arno; Luruli, Nyambeni; Kruger, Gert J.; Cronje, Stephanie","Pentacarbonyl-2κ<i>^5^C-</i>chlorido-1κ<i>Cl-</i>bis[1(η^5^)-cyclopentadienyl][μ~2~-oxido(methyl)methylene-1:2κ^2^<i>O</i>:<i>C</i>]tungsten(0)zirconium(IV)","Acta Crystallographica Section E","2008","64","10","m1252","","10.1107/S1600536808028006","","","0.71073","MoKα","","0.0413","0.0315","","","0.0859","0.0922","","","","","","1.078","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219701","11.2553","0.0007","7.0458","0.0004","15.4969","0.0009","90","","90","","90","","1228.94","0.13","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1-(2,4-Dichlorophenyl)-4,4-dimethylpent-1-en-3-one","","- C13 H14 Cl2 O -","- C13 H14 Cl2 O -","- C52 H56 Cl8 O4 -","4","0.5","SG2260","Xia, Lin; Hu, Ai-Xi","1-(2,4-Dichlorophenyl)-4,4-dimethylpent-1-en-3-one","Acta Crystallographica Section E","2008","64","10","o1983","","10.1107/S1600536808029838","","","0.71073","MoKα","","0.039","0.0316","","","0.0803","0.0847","","","","","","1.073","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219730","10.604","0.003","18.288","0.005","5.007","0.0013","90","","90","","90","","971","0.5","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Tricobalt(II) bis[orthophosphate(V)] tetrahydrate","","- Co3 H8 O12 P2 -","- Co3 H8 O12 P2 -","- Co12 H32 O48 P8 -","4","0.5","WM2193","Lee, Young Hoon; Clegg, Jack K.; Lindoy, Leonard F.; Lu, G. Q. Max; Park, Yu-Chul; Kim, Yang","Co~3~(PO~4~)~2~·4H~2~O","Acta Crystallographica Section E","2008","64","10","i67","i68","10.1107/S1600536808028377","","","0.71073","MoKα","","0.0366","0.0349","","","0.1008","0.1021","","","","","","1.158","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2220019","5.7233","0.0008","7.9147","0.0012","5.4543","0.0007","90","","90","","90","","247.07","0.06","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","terbium(III) scandate(III)","","- O2.94 Sc Tb0.96 -","- O2.9386 Sc Tb0.9591 -","- O11.7544 Sc4 Tb3.8364 -","4","0.5","WM2190","Veličkov, Boža; Kahlenberg, Volker; Bertram, Rainer; Uecker, Reinhard","Redetermination of terbium scandate, revealing a defect-type perovskite derivative","Acta Crystallographica Section E","2008","64","11","i79","","10.1107/S1600536808033394","","","0.71073","MoKα","","0.0274","0.0236","","","0.0457","0.047","","","","","","1.196","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2220065","8.2527","0.0011","30.059","0.004","8.3038","0.001","90","","90","","90","","2059.9","0.5","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Bis(2-methyl-4-nitroanilinium) tetrachloridomercurate(II)","","- C14 H18 Cl4 Hg N4 O4 -","- C14 H18 Cl4 Hg N4 O4 -","- C56 H72 Cl16 Hg4 N16 O16 -","4","0.5","BG2223","Dinesh, Jasrotia; Rademeyer, Melanie; Billing, David G.; Lemmerer, Andreas","Bis(2-methyl-4-nitroanilinium) tetrachloridomercurate(II)","Acta Crystallographica Section E","2008","64","12","m1598","","10.1107/S1600536808038415","","","0.71073","MoKα","","0.0928","0.0534","","","0.1306","0.1524","","","","","","1.09","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220185","7.5233","0.0015","5.1618","0.001","8.7157","0.0017","90","","90","","90","","338.46","0.11","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","neodymium(III) oxide nitrate","","- N Nd O4 -","- N Nd O4 -","- N4 Nd4 O16 -","4","0.5","HB2833","Li, Ya-Feng; Jin, Li; Li, Dan-Ping; Zhang, Long","NdO(NO~3~)","Acta Crystallographica Section E","2008","64","12","i81","","10.1107/S1600536808036295","","","0.71073","MoKα","","0.0242","0.0238","","","0.0682","0.0683","","","","","","1.814","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220190","7.1595","0.0006","24.5891","0.0019","10.2598","0.0006","90","","90","","90","","1806.2","0.2","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2,4-Bis(3-bromophenyl)-3-azabicyclo[3.3.1]nonan-9-one","","- C20 H19 Br2 N O -","- C20 H19 Br2 N O -","- C80 H76 Br8 N4 O4 -","4","0.5","HB2838","Parthiban, P.; Ramkumar, V.; Kim, Min Sung; Lim, Kwon Taek; Jeong, Yeon Tae","2,4-Bis(3-bromophenyl)-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2008","64","12","o2332","","10.1107/S1600536808036660","","","0.71073","MoKα","","0.0739","0.0419","","","0.0891","0.1032","","","","","","1.049","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2220219","11.5195","0.0005","25.7589","0.0012","5.2248","0.0002","90","","90","","90","","1550.35","0.12","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","thiopyran-4-one 1-oxide","2-r-(4-Chlorophenyl)-6-c-phenyl-3,4,5,6-tetrahydro-2<i>H</i>-thiopyran-4-one 1-oxide","","- C17 H15 Cl O2 S -","- C17 H15 Cl O2 S -","- C68 H60 Cl4 O8 S4 -","4","0.5","HG2443","Thiruvalluvar, A.; Balamurugan, S.; Butcher, R. J.; Pandiarajan, K.; Devanathan, D.","2-<i>r</i>-(4-Chlorophenyl)-6-<i>c</i>-phenyl-3,4,5,6-tetrahydro-2<i>H</i>-thiopyran-4-one 1-oxide","Acta Crystallographica Section E","2008","64","12","o2367","","10.1107/S1600536808037355","","","0.71073","MoKα","","0.0806","0.0605","","","0.184","0.2113","","","","","","1.203","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220381","8.431","0.0001","21.8444","0.0003","12.2561","0.0002","90","","90","","90","","2257.21","0.06","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","tetrapotassium di-μ-chlorido-bis[tetrachloridomuthate(III)] tetrahydrate","","- Bi2 Cl10 H8 K4 O4 -","- Bi2 Cl10 H8 K4 O4 -","- Bi8 Cl40 H32 K16 O16 -","4","0.5","WM2201","Khelifi, Mabrouk; Zouari, Ridha; Ben Salah, Abdelhamid","Redetermination of K~4~[Bi~2~Cl~10~]·4H~2~O","Acta Crystallographica Section E","2008","64","12","i80","","10.1107/S1600536808035435","","","0.71073","MoKα","","0.0378","0.0165","","0.0325","0.017","0.017","","","","","","1.0831","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220433","17.844","0.002","11.3036","0.0016","6.2981","0.0008","90","","90","","90","","1270.3","0.3","133","2","133","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Bis(η^7^-cycloheptatrienyl)tri-μ-hydrido-dimolybdenum(0,I)","","- C14 H17 Mo2 -","- C14 H17 Mo2 -","- C56 H68 Mo8 -","4","0.5","BT2832","Jones, Peter G.; Hrib, Cristian G.; Randoll, Sören; Wu, Xian; Tamm, Matthias","Bis(η^7^-cycloheptatrienyl)tri-μ-hydrido-dimolybdenum(0,I)","Acta Crystallographica Section E","2009","65","1","m96","","10.1107/S1600536808042244","","","0.71073","MoKα","","0.018","0.0154","","","0.0389","0.0408","","","","","","1.062","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220939","5.7554","0.0007","7.9487","0.001","5.5087","0.0006","90","","90","","90","","252.01","0.05","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","europium(III) scandate(III)","","- Eu0.968 O2.952 Sc -","- Eu0.9677 O2.9516 Sc -","- Eu3.8708 O11.8064 Sc4 -","4","0.5","WM2214","Kahlenberg, Volker; Maier, Dirk; Veličkov, Boža","Redetermination of EuScO~3~","Acta Crystallographica Section E","2009","65","2","i8","","10.1107/S1600536809001433","","","0.71073","MoKα","","0.0231","0.0212","","","0.0502","0.0509","","","","","","1.266","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2220943","10.147","0.002","6.597","0.002","7.42","0.002","90","","90","","90","","496.7","0.2","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","sodium dioxidomolybdenum(VI) arsenate(V)","","- As Mo Na O6 -","- As Mo Na O6 -","- As4 Mo4 Na4 O24 -","4","0.5","WM2218","Ben Hlila, Soumaya; Zid, Mohamed Faouzi; Driss, Ahmed","La variété β-NaMoO~2~(AsO~4~)","Acta Crystallographica Section E","2009","65","2","i11","","10.1107/S1600536809002517","","","0.71073","MoKα","","0.0222","0.0189","","","0.0522","0.0532","","","","","","1.135","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220985","7.4429","0.0004","9.4104","0.0005","8.9021","0.0004","90","","90","","90","","623.51","0.05","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Pyrrolidiniumchloride","Pyrrolidinium chloride","","- C4 H10 Cl N -","- C4 H10 Cl N -","- C16 H40 Cl4 N4 -","4","0.5","BI2348","Giglmeier, Helene; Kerscher, Tobias; Klüfers, Peter; Mayer, Peter","Pyrrolidinium chloride","Acta Crystallographica Section E","2009","65","3","o592","","10.1107/S1600536809006060","","","0.71073","MoKα","","0.0546","0.0401","","","0.1117","0.1203","","","","","","1.07","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221042","12.2127","0.0006","16.4205","0.0008","16.979","0.0008","90","","90","","90","","3404.9","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Hexa-μ-chlorido-hexachlorido(η^6^- hexamethylbenzene)trialuminium(III)lanthanum(III) benzene solvate","","- C18 H24 Al3 Cl12 La -","- C18 H24 Al3 Cl12 La -","- C72 H96 Al12 Cl48 La4 -","4","0.5","CV2516","Filatov, Alexander S.; Gifford, Sarah N.; Kumar, D. Krishna; Petrukhina, Marina A.","Hexa-μ-chlorido-hexachlorido(η^6^-hexamethylbenzene)trialuminium(III)lanthanum(III) benzene solvate","Acta Crystallographica Section E","2009","65","3","m286","m287","10.1107/S1600536809004899","","","0.71073","Mo-Kα","","0.0272","0.0246","","","0.0615","0.0632","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2221089","24.7118","0.0018","20.4364","0.0013","11.9345","0.0008","90","","90","","90","","6027.2","0.7","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","7,11,15,28-Tetrabromo-1,21,23,25-tetraphenethylresorcin[4]arene cavitand‒acetone‒chloroform (1/1.31/0.69)","7,11,15,28-Tetrabromo-1,21,23,25-tetraphenethyl-2,20:3,19-dimetheno- 1<i>H</i>,21<i>H</i>,23<i>H</i>,25<i>H</i>- di-1,3-dioxocino[5,4-i:5',4'-i']benzo[1,2-d:5,4-d']bis[1,3]benzodioxocin","","- C68.62 H60.55 Br4 Cl2.07 O9.31 -","- C67 H58 Br4 O9 -","- C268 H232 Br16 O36 -","4","0.5","HG2477","McKay, Michael G.; Friedrich, Holger B.; Howie, R. Alan; Maguire, Glenn E. M.","7,11,15,28-Tetrabromo-1,21,23,25-tetraphenethylresorcin[4]arene cavitand‒acetone‒chloroform (1/1.31/0.69)at 173K","Acta Crystallographica Section E","2009","65","3","o631","o632","10.1107/S1600536809006540","","","0.71073","MoKα","","0.0726","0.0512","","","0.1318","0.1377","","","","","","0.955","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2221172","14.66","0.006","6.579","0.002","7.664","0.003","90","","90","","90","","739.2","0.5","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-(Pyrimidin-2-ylsulfanyl)acetic acid","","- C6 H6 N2 O2 S -","- C6 H6 N2 O2 S -","- C24 H24 N8 O8 S4 -","4","0.5","RZ2292","Pan, Jian Xin; Chen, Qian Wang","2-(Pyrimidin-2-ylsulfanyl)acetic acid","Acta Crystallographica Section E","2009","65","3","o652","","10.1107/S1600536809006400","","","0.71073","MoKα","","","0.0316","","","0.0826","0.0856","","","","","","1.074","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221438","19.164","0.004","19.416","0.004","5.3287","0.001","90","","90","","90","","1982.7","0.7","273","2","273","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","{2,2'-[4,5-Dibromo-<i>o</i>-phenylenebis(nitrilodimethylidyne)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(methanol-κ<i>O</i>)copper(II)","","- C21 H16 Br2 Cu N2 O3 -","- C21 H16 Br2 Cu N2 O3 -","- C84 H64 Br8 Cu4 N8 O12 -","4","0.5","LH2794","Xing, Jianxin","{2,2'-[4,5-Dibromo-<i>o</i>-phenylenebis(nitrilodimethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(methanol-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2009","65","4","m469","","10.1107/S1600536809011179","","","0.71073","MoKα","","0.0627","0.0425","","","0.1006","0.1105","","","","","","1.062","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221443","7.2445","0.0013","14.101","0.003","7.493","0.0014","90","","90","","90","","765.4","0.3","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","gadolinium scandium germanide (2/3/4)","Diadolinium triscandium tetragermanide","","- Gd2 Ge4 Sc3 -","- Gd1.996 Ge4 Sc3.004 -","- Gd7.984 Ge16 Sc12.016 -","4","0.5","MG2062","Misra, Sumohan; Miller, Gordon J.","Gadolinium scandium germanide, Gd~2~Sc~3~Ge~4~","Acta Crystallographica Section E","2009","65","4","i25","","10.1107/S1600536809007211","","","0.71073","MoKα","","0.041","0.0313","","","0.0618","0.0656","","","","","","1.048","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221472","6.1063","0.0004","6.5442","0.0004","15.8196","0.0009","90","","90","","90","","632.16","0.07","90","2","90","2","","","","","","","","4","P n m a","-P 2ac 2n","62","(2,5-DBrPyr)","2,5-dibromopyridine","","- C5 H3 Br2 N -","- C5 H3 Br2 N -","- C20 H12 Br8 N4 -","4","0.5","PV2146","Al-Far, Rawhi H.; Ali, Basem Fares","2,5-Dibromopyridine","Acta Crystallographica Section E","2009","65","4","o843","","10.1107/S160053680900974X","","","0.71073","MoKα","","0.0244","0.0208","","","0.0526","0.0543","","","","","","1.051","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221540","8.7128","0.0002","12.7218","0.0004","8.9377","0.0003","90","","90","","90","","990.68","0.05","296","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","yttrium pentaphosphate(V)","","- O14 P5 Y -","- O14 P5 Y -","- O56 P20 Y4 -","4","0.5","WM2221","Mbarek, Aïcha; Oudahmane, Abdelghani; El-Ghozzi, Malika; Avignant, Daniel","An orthorhombic polymorph of the ultraphosphate YP~5~O~14~","Acta Crystallographica Section E","2009","65","4","i22","","10.1107/S1600536809007193","","","0.71073","MoKα","","0.0343","0.0303","","","0.0867","0.1103","","","","","","1.215","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221703","13.5195","0.001","22.9565","0.0017","7.5556","0.0006","90","","90","","90","","2345","0.3","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2,9-Dimethyl-4,7-diphenyl-1,10-phenanthrolin-1-ium tetrachloridoaurate(III)","","- C26 H21 Au Cl4 N2 -","- C26 H21 Au Cl4 N2 -","- C104 H84 Au4 Cl16 N8 -","4","0.5","HG2496","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Safari, Nasser; Abedi, Anita; Amani, Vahid; McKee, Vickie","2,9-Dimethyl-4,7-diphenyl-1,10-phenanthrolin-1-ium tetrachloridoaurate(III)","Acta Crystallographica Section E","2009","65","5","m479","m480","10.1107/S1600536809011994","","","0.71069","MoKα","","0.0294","0.0229","","","0.0509","0.0535","","","","","","1.029","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221769","7.749","0.001","16.56","0.003","10.212","0.002","90","","90","","90","","1310.4","0.4","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","tripotassium trivanadium bis(arsenate) hexaoxide","","- As2 K3 O14 V3 -","- As2 K3 O14 V3 -","- As8 K12 O56 V12 -","4","0.5","MG2068","Ezzine, Safa; Zid, Mohamed Faouzi; Driss, Ahmed","K~3~VO~2~(V~2~As~2~O~12~)","Acta Crystallographica Section E","2009","65","5","i31","","10.1107/S1600536809011775","","","0.71073","MoKα","","0.0377","0.0256","","","0.0622","0.0661","","","","","","1.073","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221902","15.337","0.005","20.778","0.007","6.322","0.002","90","","90","","90","","2014.6","1.1","295","2","295","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","2,4,6-Tri-<i>p</i>-tolylpyridine","","- C26 H23 N -","- C26 H23 N -","- C104 H92 N4 -","4","0.5","AT2790","Tang, Si-Ping; Kuang, Dai-Zhi; Feng, Yong-Lan; Chen, Man-Sheng; Li, Wei","2,4,6-Tri-<i>p</i>-tolylpyridine","Acta Crystallographica Section E","2009","65","6","o1412","","10.1107/S160053680901931X","","","0.71073","MoKα","","0.2362","0.1394","","","0.2925","0.3422","","","","","","1.262","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221941","11.3375","0.0009","7.2163","0.0006","14.9327","0.0012","90","","90","","90","","1221.72","0.17","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","4,4-Dimethyl-1-(3-nitrophenyl)pent-1-en-3-one","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","0.5","BT2958","Chen, Ping; Xia, Lin; Hu, Ai-Xi; Ye, Jiao","4,4-Dimethyl-1-(3-nitrophenyl)pent-1-en-3-one","Acta Crystallographica Section E","2009","65","6","o1346","","10.1107/S1600536809018479","","","0.71073","MoKα","","0.0604","0.0405","","","0.1087","0.1225","","","","","","1.059","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222297","12.758","0.002","7.4313","0.0011","9.0138","0.0014","90","","90","","90","","854.6","0.2","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","[(2,3,5,6-η)-Bicyclo[2.2.1]hepta-2,5-diene]dibromidopalladium(II)","","- C7 H8 Br2 Pd -","- C7 H8 Br2 Pd -","- C28 H32 Br8 Pd4 -","4","0.5","EZ2172","Kim, Nam-Ho; Ha, Kwang","[(2,3,5,6-η)-Bicyclo[2.2.1]hepta-2,5-diene]dibromidopalladium(II)","Acta Crystallographica Section E","2009","65","7","m727","","10.1107/S1600536809020583","","","0.71073","MoKα","","0.0564","0.0258","","","0.0526","0.0711","","","","","","0.989","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222479","8.101","0.0001","13.5126","0.0002","14.014","0.0002","90","","90","","90","","1534.05","0.04","140","2","140","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","<i>catena</i>-Poly[lead(II)-[μ-2,4-diamino-6-(piperidin-1-yl)pyrimidine <i>N</i>-oxide-κ^2^<i>O</i>:<i>O</i>]di-μ-iodido]","","- C9 H15 I2 N5 O Pb -","- C9 H15 I2 N5 O Pb -","- C36 H60 I8 N20 O4 Pb4 -","4","0.5","TK2471","Ranjbar, Maryam; Najafi, S. Heidar Mahmoudi; Ng, Seik Weng","<i>catena</i>-Poly[lead(II)-[μ-2,4-diamino-6-(piperidin-1-yl)pyrimidine <i>N</i>-oxide-κ^2^<i>O</i>:<i>O</i>]di-μ-iodido]","Acta Crystallographica Section E","2009","65","7","m749","","10.1107/S1600536809020972","","","0.71073","MoKα","","0.019","0.018","","","0.043","0.043","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2222612","12.0437","0.0006","6.5453","0.0004","6.3886","0.0004","90","","90","","90","","503.61","0.05","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3-Chloro-4-hydroxyfuran-2(5<i>H</i>)-one","","- C4 H3 Cl O3 -","- C4 H3 Cl O3 -","- C16 H12 Cl4 O12 -","4","0.5","BX2226","Zhang, Na; Wu, Zhen-Yi; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","3-Chloro-4-hydroxyfuran-2(5<i>H</i>)-one","Acta Crystallographica Section E","2009","65","8","o1977","","10.1107/S1600536809028724","","","0.71073","MoKα","","0.0289","0.0262","","","0.066","0.0672","","","","","","1.17","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2222790","13.255","0.003","7.4403","0.0015","17.874","0.004","90","","90","","90","","1762.8","0.7","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Dichlorido(2,9-diethoxy-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)","","- C16 H16 Cl2 N2 O2 Zn -","- C16 H16 Cl2 N2 O2 Zn -","- C64 H64 Cl8 N8 O8 Zn4 -","4","0.5","LH2850","Niu, Cao-Yuan; Dang, Yu-Li; Wan, Xin-Sheng; Kou, Chun-Hong","Dichlorido(2,9-diethoxy-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)","Acta Crystallographica Section E","2009","65","8","m860","","10.1107/S1600536809024490","","","0.71073","MoKα","","0.0879","0.0476","","","0.08","0.0888","","","","","","1.081","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222791","9.529","0.002","6.546","0.002","22.166","0.006","90","","90","","90","","1382.6","0.6","89","2","89","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","1-(2-Chloro-5-nitrophenyl)-3-(2,2-dimethylpropanoyl)thiourea","","- C12 H14 Cl N3 O3 S -","- C12 H14 Cl N3 O3 S -","- C48 H56 Cl4 N12 O12 S4 -","4","0.5","LH2851","Saeed, Aamer; Khera, Rasheed Ahmad; Simpson, Jim; Stanley, Roderick G.","1-(2-Chloro-5-nitrophenyl)-3-(2,2-dimethylpropionyl)thiourea","Acta Crystallographica Section E","2009","65","8","o1735","o1736","10.1107/S1600536809024672","","","0.71073","MoKα","","0.045","0.0328","","","0.0864","0.0919","","","","","","1.094","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222805","8.9327","0.0002","5.5277","0.0002","9.6487","0.0003","90","","90","","90","","476.43","0.03","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Caesium magnesium orthophosphate","","- Cs Mg O4 P -","- Cs Mg O4 P -","- Cs4 Mg4 O16 P4 -","4","0.5","MG2075","Strutynska, Nataliya Yu.; Zatovsky, Igor V.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.","CsMgPO~4~","Acta Crystallographica Section E","2009","65","8","i58","","10.1107/S1600536809025434","","","0.71073","MoKα","","0.0316","0.021","","","","0.0472","","","","","","1.003","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222954","18.421","0.006","30.906","0.011","11.346","0.004","90","","90","","90","","6459","4","291","2","291","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Poly[bis(dimethylammonium)[bis(dimethylamine-κ<i>N</i>)tris(μ~2~- terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^)dizinc(II)] <i>N</i>,<i>N</i>-dimethylformamide disolvate hexahydrate]","","- C38 H68 N6 O20 Zn2 -","- C38 H68 N6 O20 Zn2 -","- C152 H272 N24 O80 Zn8 -","4","0.5","AT2837","Xiao, Jie; Zhou, Hu; Yuan, Ai-Hua","Poly[bis(dimethylammonium) [bis(dimethylamine-κ<i>N</i>)tris(μ~2~-terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^)dizinc(II)] <i>N</i>,<i>N</i>-dimethylformamide disolvate hexahydrate]","Acta Crystallographica Section E","2009","65","9","m1071","m1072","10.1107/S1600536809030177","","","0.71073","MoKα","","0.0802","0.0489","","","0.099","0.1059","","","","","","1.041","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223201","13.721","0.009","16.383","0.01","16.282","0.01","90","","90","","90","","3660","4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dimethylbis(3-methylsulfanyl-1,2,4-thiadiazole-5-thiolato)tin(IV)","","- C8 H12 N4 S6 Sn -","- C8 H12 N4 S6 Sn -","- C64 H96 N32 S48 Sn8 -","8","1","TK2508","Zhang, Junhong; Zhang, Rufen; Ma, Chunlin; Wang, Haizeng; Wang, Daqi","Dimethylbis(3-methylsulfanyl-1,2,4-thiadiazole-5-thiolato)tin(IV)","Acta Crystallographica Section E","2009","65","9","m1030","","10.1107/S1600536809030062","","","0.71073","MoKα","","0.079","0.039","","","0.085","0.107","","","","","","1.09","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223260","11.239","0.002","7.4651","0.0018","17.663","0.005","90","","90","","90","","1481.9","0.6","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dichlorido(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","","- C14 H12 Cl2 Cu N2 -","- C14 H12 Cl2 Cu N2 -","- C56 H48 Cl8 Cu4 N8 -","4","0.5","AT2860","Wang, B. S.; Zhong, H.","Dichlorido(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section E","2009","65","10","m1156","","10.1107/S1600536809034187","","","0.71073","MoKα","","0.0339","0.0264","","","0.0794","0.0827","","","","","","1.002","","","","has coordinates","176789","2020-10-21","18:00:00",""
"2223467","9.2712","0.0011","24.763","0.003","7.5185","0.001","90","","90","","90","","1726.1","0.4","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Aqua{6,6'-dimethoxy-2,2'-[ethane-1,2- diylbis(nitrilomethylidyne)]diphenolato}nickel(II)","","- C18 H20 N2 Ni O5 -","- C18 H20 N2 Ni O5 -","- C72 H80 N8 Ni4 O20 -","4","0.5","LH2877","Guo, Zhenghua; Li, Lianzhi; Xu, Tao; Li, Jinghong; Wang, Daqi","Aqua{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}nickel(II)","Acta Crystallographica Section E","2009","65","10","m1158","m1159","10.1107/S1600536809034278","","","0.71073","MoKα","","0.0378","0.0311","","","0.0748","0.0779","","","","","","1.186","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223636","20.4542","0.0013","6.7393","0.0004","7.5675","0.0004","90","","90","","90","","1043.16","0.11","290","2","290","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-Chloro-7,8-dimethylquinoline-3-carbaldehyde","","- C12 H10 Cl N O -","- C12 H10 Cl N O -","- C48 H40 Cl4 N4 O4 -","4","0.5","BT5086","Khan, F. Nawaz; Subashini, R.; Kushwaha, Atul Kumar; Hathwar, Venkatesha R.; Ng, Seik Weng","2-Chloro-7,8-dimethylquinoline-3-carbaldehyde","Acta Crystallographica Section E","2009","65","11","o2709","","10.1107/S1600536809040860","","","0.71073","MoKα","","0.042","0.0341","","","0.1045","0.1151","","","","","","1.07","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223680","12.142","0.002","6.861","0.0014","15.077","0.003","90","","90","","90","","1256","0.4","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2-Bromo-4-chloro-6-(cyclopentyliminomethyl)phenol","","- C12 H13 Br Cl N O -","- C12 H13 Br Cl N O -","- C48 H52 Br4 Cl4 N4 O4 -","4","0.5","CI2924","Hao, Yu-Mei","2-Bromo-4-chloro-6-(cyclopentyliminomethyl)phenol","Acta Crystallographica Section E","2009","65","11","o2600","","10.1107/S1600536809039142","","","0.71073","MoKα","","0.0632","0.0438","","","0.1097","0.1223","","","","","","1.076","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223736","8.684","0.003","5.0599","0.0019","10.061","0.004","90","","90","","90","","442.1","0.3","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","barium europium bromide iodide","","- Ba0.96 Br Eu0.04 I -","- Ba0.963 Br Eu0.037 I -","- Ba3.852 Br4 Eu0.148 I4 -","4","0.5","FI2082","Gundiah, Gautam; Hanrahan, Stephen M.; Hollander, Frederick J.; Bourret-Courchesne, Edith D.","Europium-doped barium bromide iodide","Acta Crystallographica Section E","2009","65","11","i76","i77","10.1107/S1600536809041105","","","0.71073","MoKα","","0.0225","0.0147","","","0.0304","0.0333","","","","","","1.015","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2224007","7.2086","0.001","12.4668","0.0018","12.4335","0.0018","90","","90","","90","","1117.4","0.3","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","4,6-Dimethyl-2-<i>p</i>-tolylpyrimidine","","- C13 H14 N2 -","- C13 H14 N2 -","- C52 H56 N8 -","4","0.5","SI2211","Xu, Chen; Wang, Zhi-Qiang; Cen, Fei-Fei; Cheng, Lin; Ji, Bao-Ming","4,6-Dimethyl-2-<i>p</i>-tolylpyrimidine","Acta Crystallographica Section E","2009","65","11","o2785","","10.1107/S160053680904210X","","","0.71073","MoKα","","0.0616","0.0422","","","0.1121","0.1307","","","","","","1.058","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224016","8.7698","0.0003","27.0608","0.0009","7.4731","0.0002","90","","90","","90","","1773.5","0.1","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Aqua{5,5'-dimethoxy-2,2-[ethane-1,2-\ diylbis(nitrilomethylidyne)]diphenolato}nickel(II)","","- C18 H20 N2 Ni O5 -","- C18 H20 N2 Ni O5 -","- C72 H80 N8 Ni4 O20 -","4","0.5","SJ2661","Tang, Chunbao","Aqua{5,5'-dimethoxy-2,2-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}nickel(II)","Acta Crystallographica Section E","2009","65","11","m1278","","10.1107/S1600536809039129","","","0.71073","MoKα","","0.0396","0.0342","","","0.0817","0.0848","","","","","","1.044","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224024","15.7519","0.0016","14.8889","0.0014","9.0535","0.0012","90","","90","","90","","2123.3","0.4","296.1","","296.1","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Nitrosyltris(pyridine-2-thiolato-κ^2^<i>N</i>,<i>S</i>)molybdenum(II) dihydrate","","- C15 H16 Mo N4 O3 S3 -","- C15 H16 Mo N4 O3 S3 -","- C60 H64 Mo4 N16 O12 S12 -","4","0.5","SU2152","Yonemura, Toshiaki","Nitrosyltris(pyridine-2-thiolato-κ^2^<i>N</i>,<i>S</i>)molybdenum(II) dihydrate","Acta Crystallographica Section E","2009","65","11","m1463","m1464","10.1107/S1600536809043712","","","0.71069","MoKα","","","0.0394","","","","0.126","","","","","","1.13","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224053","20.6492","0.0006","7.7903","0.0003","6.9255","0.0002","90","","90","","90","","1114.06","0.06","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pentapotassium praseodymium(III) dilithium decafluoride","","- F10 K5 Li2 Pr -","- F10 K5 Li2 Pr -","- F40 K20 Li8 Pr4 -","4","0.5","WM2268","Gagor, Anna","Pentapotassium praseodymium(III) dilithium decafluoride, K~5~PrLi~2~F~10~","Acta Crystallographica Section E","2009","65","11","i81","","10.1107/S1600536809044043","","","0.71073","MoKα","","0.0527","0.0293","","","0.0417","0.0454","","","","","","1.022","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224054","20.5539","0.0006","7.7356","0.0002","6.8721","0.0002","90","","90","","90","","1092.64","0.05","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pentapotassium europium(III) dilithium decafluoride","","- Eu F10 K5 Li2 -","- Eu F10 K5 Li2 -","- Eu4 F40 K20 Li8 -","4","0.5","WM2269","Gagor, Anna","Pentapotassium europium(III) dilithium decafluoride, K~5~EuLi~2~F~10~","Acta Crystallographica Section E","2009","65","11","i82","","10.1107/S1600536809044055","","","0.71073","MoKα","","0.0381","0.0211","","","0.0367","0.0387","","","","","","0.827","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224070","24.614","0.004","6.738","0.001","8.633","0.002","90","","90","","90","","1431.8","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Bis(tetramethylammonium) oxalate monohydrate","","- C10 H26 N2 O5 -","- C10 H26 N2 O5 -","- C40 H104 N8 O20 -","4","0.5","XU2618","Yang, Yun-Xia; Li, Qi; Ng, Seik Weng","Bis(tetramethylammonium) oxalate monohydrate","Acta Crystallographica Section E","2009","65","11","o2602","","10.1107/S1600536809039099","","","0.71073","MoKα","","0.0668","0.0525","","","0.1476","0.1638","","","","","","1.01","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224215","7.254","0.0015","6.47","0.0013","12.273","0.003","90","","90","","90","","576","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","5-Methylisoxazole-4-carboxylic acid","","- C5 H5 N O3 -","- C5 H5 N O3 -","- C20 H20 N4 O12 -","4","0.5","FL2281","Wang, De-Cai; Xu, Wei; Wu, Wen-Yuan","5-Methylisoxazole-4-carboxylic acid","Acta Crystallographica Section E","2009","65","12","o3140","","10.1107/S1600536809048636","","","0.71073","MoKα","","0.0456","0.0397","","","0.0942","0.0981","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224241","7.5128","0.0002","4.4573","0.0001","8.3911","0.0002","90","","90","","90","","280.991","0.012","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","calcium magnesium silver germanide","","- Ag0.13 Ca Ge Mg0.87 -","- Ag0.1309 Ca Ge Mg0.8691 -","- Ag0.5236 Ca4 Ge4 Mg3.4764 -","4","0.5","HB5206","Banenzoué, Charles; Ponou, Siméon; Lambi, John Ngolui","Non-isovalent substitution in a Zintl phase with the TiNiSi type structure, CaMg~1{‒~<i>x</i>}Ag~<i>x~</i>Ge [<i>x</i> = 0.13(3)]","Acta Crystallographica Section E","2009","65","12","i90","","10.1107/S1600536809048454","","","0.71073","MoKα","","0.0219","0.019","","","0.0408","0.0413","","","","","","1.1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224246","7.7313","0.0011","15.658","0.002","10.3388","0.0014","90","","90","","90","","1251.6","0.3","295","","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(2<i>E</i>,6<i>E</i>)-2,6-Difurfurylidenecyclohexanone","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","0.5","HB5212","Ma, Shi-Ying; Zheng, Ze-Bao; Sun, Yi-Feng; Wang, Zi-Ying","(2<i>E</i>,6<i>E</i>)-2,6-Difurfurylidenecyclohexanone","Acta Crystallographica Section E","2009","65","12","o3085","","10.1107/S160053680904728X","","","0.71073","MoKα","","0.0871","0.047","","","0.1001","0.1222","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224348","8.7299","0.0013","27.968","0.004","7.99","0.0012","90","","90","","90","","1950.8","0.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Aqua{4,4'-dibromo-6,6'-dimethoxy-2,2'-[ethane-1,2- diylbis(nitrilomethylidyne)]diphenolato}copper(II)","","- C18 H18 Br2 Cu N2 O5 -","- C18 H18 Br2 Cu N2 O5 -","- C72 H72 Br8 Cu4 N8 O20 -","4","0.5","LH2938","Xie, Hai","Aqua{4,4'-dibromo-6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}copper(II)","Acta Crystallographica Section E","2009","65","12","m1577","","10.1107/S1600536809046212","","","0.71073","MoKα","","0.0626","0.0525","","","0.1333","0.1381","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224531","26.022","0.005","21.375","0.004","12.721","0.003","90","","90","","90","","7076","3","223","2","223","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","Bis[μ~2~-bis(diphenylphosphino)methane]bis(μ~2~-ethane-1,2-dithiolato)- μ~4~-sulfido-μ~2~-sulfido-disulfidodimolybdenum(V)disilver(I) dimethylformamide trisolvate","","- C63 H73 Ag2 Mo2 N3 O3 P4 S8 -","- C63 H73 Ag2 Mo2 N3 O3 P4 S8 -","- C252 H292 Ag8 Mo8 N12 O12 P16 S32 -","4","0.5","YA2110","Wang, Xing-Cong; You, Xiu-Li","Bis[μ~2~-bis(diphenylphosphino)methane]bis(μ~2~-ethane-1,2-dithiolato)-μ~4~-sulfido-μ~2~-sulfido-disulfidodimolybdenum(V)disilver(I) dimethylformamide trisolvate","Acta Crystallographica Section E","2009","65","12","m1615","","10.1107/S1600536809048648","","","0.71073","MoKα","","0.097","0.085","","","0.183","0.188","","","","","","1.35","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224551","10.7666","0.0003","20.9205","0.0005","16.5619","0.0005","90","","90","","90","","3730.45","0.18","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Di-μ-methoxido-μ-oxido-bis[triphenylantimony(V)] methanol disolvate","","- C40 H44 O5 Sb2 -","- C40 H44 O5 Sb2 -","- C160 H176 O20 Sb8 -","4","0.5","BQ2171","Betz, Richard; Junggeburth, Sebastian; Klüfers, Peter; Mayer, Peter","Di-μ-methoxido-μ-oxido-bis[triphenylantimony(V)] methanol disolvate","Acta Crystallographica Section E","2010","66","1","m28","","10.1107/S1600536809052192","","","0.71073","MoKα","","0.0513","0.0245","","","0.0563","0.0692","","","","","","1.069","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224662","17.3766","0.0002","18.1774","0.0006","5.5354","0.0007","90","","90","","90","","1748.4","0.2","173","2","173","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","1-Methyl-2,6-<i>cis</i>-distyrylpiperidine","","- C22 H25 N -","- C22 H25 N -","- C88 H100 N4 -","4","0.5","HG2598","Zheng, Guangrong; Parkin, Sean; Dwoskin, Linda P.; Crooks, Peter A.","1-Methyl-2,6-<i>cis</i>-distyrylpiperidine","Acta Crystallographica Section E","2010","66","1","o77","","10.1107/S1600536809049617","","","0.71073","MoKα","","0.0716","0.051","","","0.097","0.1049","","","","","","1.095","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224761","11.7986","0.001","20.9246","0.0018","10.5204","0.0009","90","","90","","90","","2597.3","0.4","294","2","294","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Tris(4-<i>tert</i>-butylphenyl)phosphine oxide","","- C30 H39 O P -","- C30 H39 O P -","- C120 H156 O4 P4 -","4","0.5","SI2225","Hao, Yin-Ge; Yao, Jin-Cai; Li, Jun-Xian; He, Yu-Xin; Zhang, Yu-Qing","Tris(4-<i>tert</i>-butylphenyl)phosphine oxide","Acta Crystallographica Section E","2010","66","1","o211","","10.1107/S1600536809052155","","","0.71073","MoKα","","0.049","0.0419","","","0.1109","0.117","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224780","14.5521","0.0019","6.6774","0.0013","7.7212","0.0019","90","","90","","90","","750.3","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-(2-Pyridylsulfanyl)acetic acid","","- C7 H7 N O2 S -","- C7 H7 N O2 S -","- C28 H28 N4 O8 S4 -","4","0.5","SJ2712","Li, Xiao-Feng; An, Yan; Chen, Hui-Guo; Dong, Li-Hua; Yan, Wei","2-(2-Pyridylsulfanyl)acetic acid","Acta Crystallographica Section E","2010","66","1","o234","","10.1107/S1600536809054373","","","0.71073","MoKα","","0.0983","0.0497","","","0.1187","0.1398","","","","","","1.004","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224843","21.012","0.013","6.917","0.004","8.211","0.005","90","","90","","90","","1193.4","1.2","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,4-Dinitro-1-phenoxybenzene","","- C12 H8 N2 O5 -","- C12 H8 N2 O5 -","- C48 H32 N8 O20 -","4","0.5","BH2266","Du, Zhen-Ting; Xu, Yan; Yu, Hong-Rui; Li, Yong","2,4-Dinitro-1-phenoxybenzene","Acta Crystallographica Section E","2010","66","2","o415","","10.1107/S1600536810001911","","","0.71073","MoKα","","0.1071","0.0656","","","0.1779","0.2196","","","","","","1.031","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224893","19.8107","0.0011","6.4877","0.0003","11.3257","0.0006","90","","90","","90","","1455.65","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>catena</i>-Poly[[(4-aminobenzoato)aquasilver(I)]-μ-hexamethylenetetramine]","","- C13 H20 Ag N5 O3 -","- C13 H20 Ag N5 O3 -","- C52 H80 Ag4 N20 O12 -","4","0.5","CI2988","Han, Jia-Jun; Zhang, Tian-Yun; Geng, Lin","<i>catena</i>-Poly[[(4-aminobenzoato)aquasilver(I)]-μ-hexamethylenetetramine]","Acta Crystallographica Section E","2010","66","2","m111","","10.1107/S1600536809055044","","","0.71073","MoKα","","0.0241","0.0194","","","0.0458","0.0475","","","","","","1.082","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224947","9.5867","0.0004","6.9451","0.0004","12.2005","0.0005","90","","90","","90","","812.32","0.07","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","diammonium thiomolybdate","","- H8 Mo N2 S4 -","- H8 Mo N2 S4 -","- H32 Mo4 N8 S16 -","4","0.5","FB2179","Hill, Björn; Lerner, Hans-Wolfram; Bolte, Michael","Redetermination of diammonium thiomolybdate","Acta Crystallographica Section E","2010","66","2","i13","","10.1107/S1600536810003016","","","0.71073","MoKα","","0.0233","0.0222","","","0.0587","0.0596","","","","","","1.191","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224970","12.2281","0.0006","6.7681","0.0003","22.6734","0.001","90","","90","","90","","1876.47","0.15","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Poly[[di-μ-aqua-(μ-4-formyl-2-methoxyphenolato)disodium] 4-formyl-2-methoxyphenolate]","","- C16 H22 Na2 O10 -","- C16 H22 Na2 O10 -","- C64 H88 Na8 O40 -","4","0.5","HB5277","Asghar, Muhammad Nadeem; Şahin, Onur; Arshad, Muhammad Nadeem; Mazhar, Uzma; Khan, Islam Ullah; Büyükgüngör, Orhan","Poly[[di-μ-aqua-(μ-4-formyl-2-methoxyphenolato)disodium] 4-formyl-2-methoxyphenolate]","Acta Crystallographica Section E","2010","66","2","m149","m150","10.1107/S1600536810000711","","","0.71073","MoKα","","0.0511","0.0435","","","0.1101","0.1186","","","","","","1.066","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224992","5.9708","0.0002","7.5302","0.0002","14.7085","0.0004","90","","90","","90","","661.31","0.03","100","0.1","100","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","Guanidinium chlorochromate","guanidinium chloridotrioxidochromate(VI)","","- C H6 Cl Cr N3 O3 -","- C H6 Cl Cr N3 O3 -","- C4 H24 Cl4 Cr4 N12 O12 -","4","0.5","HB5314","Fun, Hoong-Kun; Goh, Jia Hao; Kar, Arnab; Goswami, Shyamaprosad","Guanidinium chlorochromate","Acta Crystallographica Section E","2010","66","2","m203","","10.1107/S1600536810002710","","","0.71073","MoKα","","0.0214","0.0195","","","0.0526","0.0536","","","","","","1.096","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225206","14.597","0.002","8.2044","0.0018","7.0926","0.0015","90","","90","","90","","849.4","0.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-Oxo-2,3-dihydro-1<i>H</i>-imidazo[1,2-<i>a</i>]pyridinium iodide","","- C7 H7 I N2 O -","- C7 H7 I N2 O -","- C28 H28 I4 N8 O4 -","4","0.5","CV2672","Miao, Jinling; Guo, Jisheng; Hu, Chunhua; Wang, Daqi; Nie, Yong","2-Oxo-2,3-dihydro-1<i>H</i>-imidazo[1,2-<i>a</i>]pyridinium iodide","Acta Crystallographica Section E","2010","66","3","o603","","10.1107/S1600536810004976","","","0.71073","MoKα","","0.0419","0.0356","","","0.0949","0.1033","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2225224","14.9833","0.0004","8.0602","0.0002","8.4737","0.0002","90","","90","","90","","1023.36","0.04","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Guanidinium 4-aminobenzoate","","- C8 H12 N4 O2 -","- C8 H12 N4 O2 -","- C32 H48 N16 O8 -","4","0.5","DS2019","Pereira Silva, P. S.; Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.","Guanidinium 4-aminobenzoate","Acta Crystallographica Section E","2010","66","3","o524","","10.1107/S160053681000396X","","","0.71073","MoKα","","0.0545","0.0367","","","0.0974","0.109","","","","","","1.038","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2225289","12.8731","0.001","6.9972","0.0006","22.998","0.0017","90","","90","","90","","2071.6","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Pentaaqua(acetonitrile-κ<i>N</i>)zinc(II) 4,6-dihydroxybenzene-1,3-disulfonate trihydrate","","- C8 H23 N O16 S2 Zn -","- C8 H23 N O16 S2 Zn -","- C32 H92 N4 O64 S8 Zn4 -","4","0.5","HY2283","Xie, Bu-Yun; Huang, Wei; Zhang, Ying; Yang, Rui-Qing; Xie, Yong-Rong","Pentaaqua(acetonitrile-κ<i>N</i>)zinc(II) 4,6-dihydroxybenzene-1,3-disulfonate trihydrate","Acta Crystallographica Section E","2010","66","3","m341","","10.1107/S1600536810006525","","","0.71073","MoKα","","0.0586","0.0371","","","0.0861","0.0965","","","","","","1.021","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225369","7.93","0.002","7.0256","0.0019","14.499","0.004","90","","90","","90","","807.8","0.4","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-Iodo-4,6-dimethylpyrimidine","","- C6 H7 I N2 -","- C6 H7 I N2 -","- C24 H28 I4 N8 -","4","0.5","SI2242","Jiang, Qing-Min; Mao, Gui-Yun; Hao, Lu-Ye; Hao, Xin-Qi; Song, Mao-Ping","2-Iodo-4,6-dimethylpyrimidine","Acta Crystallographica Section E","2010","66","3","o686","","10.1107/S1600536810005660","","","0.71073","MoKα","","0.029","0.0259","","","0.0642","0.0663","","","","","","1.097","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225370","19.59","0.0015","6.945","0.0006","8.1266","0.0006","90","","90","","90","","1105.64","0.15","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","<i>trans</i>-Chlorido(dimethyl sulfoxide-κ<i>S</i>)(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)platinum(II)","","- C8 H10 Cl N O3 Pt S -","- C8 H10 Cl N O3 Pt S -","- C32 H40 Cl4 N4 O12 Pt4 S4 -","4","0.5","SI2243","Ha, Kwang","<i>trans</i>-Chlorido(dimethyl sulfoxide-κ<i>S</i>)(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)platinum(II)","Acta Crystallographica Section E","2010","66","3","m295","","10.1107/S1600536810005520","","","0.71073","MoKα","","0.0311","0.0273","","","0.0625","0.0652","","","","","","1.095","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225408","11.96","0.002","34.509","0.006","3.9509","0.0005","90","","90","","90","","1630.6","0.4","298","1","298","1","101","1","","","","","","3","P n m a","-P 2ac 2n","62","","2,2'-(2,6-Pyridinediyl)diquinoline","","- C23 H15 N3 -","- C23 H15 N3 -","- C92 H60 N12 -","4","0.5","XU2726","Garza Rodríguez, Luis Ángel; Bernès, Sylvain; Elizondo Martínez, Perla; Nájera Martínez, Blanca","2,2'-(2,6-Pyridinediyl)diquinoline","Acta Crystallographica Section E","2010","66","3","o666","","10.1107/S1600536810006033","","","0.71073","MoKα","","0.0612","0.0409","","","0.1019","0.1178","","","","","","1.015","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225650","9.1407","0.0005","11.7822","0.0007","18.3215","0.0011","90","","90","","90","","1973.2","0.2","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Bis(acetonitrile-κ<i>N</i>)(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')platinum(II) bis(perchlorate)","","- C16 H14 Cl2 N4 O8 Pt -","- C16 H14 Cl2 N4 O8 Pt -","- C64 H56 Cl8 N16 O32 Pt4 -","4","0.5","PK2230","Ha, Kwang","Bis(acetonitrile-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(II) bis(perchlorate)","Acta Crystallographica Section E","2010","66","4","m389","","10.1107/S1600536810008299","","","0.71073","MoKα","","0.0659","0.0418","","","0.0882","0.1","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226016","7.182","0.003","4.3899","0.0018","16.758","0.007","90","","90","","90","","528.4","0.4","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Diytterbium(II) lithium indium(III) digermanide","","- Ge2 In Li Yb2 -","- Ge2 In Li Yb2 -","- Ge8 In4 Li4 Yb8 -","4","0.5","WM2327","You, Tae-Soo; Bobev, Svilen","Diytterbium(II) lithium indium(III) digermanide, Yb~2~LiInGe~2~","Acta Crystallographica Section E","2010","66","5","i43","","10.1107/S1600536810014595","","","0.71073","MoKα","","0.0378","0.029","","","0.0564","0.0592","","","","","","1.105","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226089","17.288","0.004","6.8663","0.0014","9.776","0.002","90","","90","","90","","1160.5","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","1-Cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane tetrafluoroborate monohydrate","","- C8 H16 B F4 N3 O -","- C8 H16 B F4.002 N3 O -","- C32 H64 B4 F16.008 N12 O4 -","4","0.5","CV2716","Cai, Ying","1-Cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane tetrafluoroborate monohydrate","Acta Crystallographica Section E","2010","66","6","o1413","","10.1107/S1600536810017757","","","0.71073","MoKα","","0.0655","0.0567","","","0.1347","0.14","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226200","15.439","0.003","11.616","0.002","13.071","0.003","90","","90","","90","","2344.1","0.8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","4-Methylanilinium tetrafluoroborate 18-crown-6","4-Methylanilinium tetrafluoroborate‒1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)","","- C19 H34 B F4 N O6 -","- C19 H34 B F4 N O6 -","- C76 H136 B4 F16 N4 O24 -","4","0.5","JH2160","Ge, Jia-Zhen; Zhao, Min-Min","4-Methylanilinium tetrafluoroborate 18-crown-6 clathrate","Acta Crystallographica Section E","2010","66","6","o1478","","10.1107/S1600536810019033","","","0.71073","MoKα","","0.1295","0.0667","","","0.1747","0.2088","","","","","","1.022","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226323","7.799","0.0002","24.0666","0.0006","7.9348","0.0002","90","","90","","90","","1489.33","0.07","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Poly[1,4-bis(ammoniomethyl)cyclohexane [di-μ-chlorido-dichloridoplumbate(II)]]","","- C8 H20 Cl4 N2 Pb -","- C8 H20 Cl4 N2 Pb -","- C32 H80 Cl16 N8 Pb4 -","4","0.5","WM2339","Rayner, Matthew Kyle; Billing, David Gordon","Poly[1,4-bis(ammoniomethyl)cyclohexane [di-μ-chlorido-dichloridoplumbate(II)]]","Acta Crystallographica Section E","2010","66","6","m659","","10.1107/S1600536810016818","","","0.71073","MoKα","","0.0373","0.0312","","","0.065","0.0671","","","","","","1.161","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226355","9.3035","0.0019","11.328","0.002","23.23","0.005","90","","90","","90","","2448.2","0.8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Dimethylammonium tetrachloridoiron(III) 18-crown-6 clathrate","Dimethylammonium tetrachloridoferrate(III)‒1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)","","- C14 H32 Cl4 Fe N O6 -","- C14 H32 Cl4 Fe N O6 -","- C56 H128 Cl16 Fe4 N4 O24 -","4","0.5","BH2286","Shi, Ping Ping; Zhao, Min Min","Dimethylammonium tetrachloridoferrate(III) 18-crown-6 clathrate","Acta Crystallographica Section E","2010","66","7","m728","","10.1107/S1600536810020192","","","0.71073","MoKα","","0.0952","0.0516","","","0.1093","0.1278","","","","","","0.992","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226959","13.3879","0.001","6.8462","0.0006","11.8861","0.0009","90","","90","","90","","1089.44","0.15","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","2-isopropyl-3-methylquinoxaline 1,4-dioxide","2-Isopropyl-3-methylquinoxaline 1,4-dioxide","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C48 H56 N8 O8 -","4","0.5","JH2164","Li, Jian-Ye; Sun, Tao; Hao, Ai-You; Qiao, Hongwei; Xin, Feifei","2-Isopropyl-3-methylquinoxaline 1,4-dioxide","Acta Crystallographica Section E","2010","66","8","o1906","","10.1107/S1600536810023706","","","0.71073","MoKα","","0.0784","0.0568","","","0.1649","0.2033","","","","","","1.165","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227029","13.9848","0.001","6.663","0.0004","13.8904","0.001","90","","90","","90","","1294.32","0.15","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Acetylacetone isonicotinoylhydrazonato- κ^3^<i>O</i>,<i>N</i>',<i>O</i>')dioxidovanadate(V) monohydrate","","- C11 H14 N3 O5 V -","- C11 H14 N3 O5 V -","- C44 H56 N12 O20 V4 -","4","0.5","NK2049","Wong, Hon Wee; Lo, Kong Mun; Ng, Seik Weng","(Acetylacetone isonicotinoylhydrazonato-κ^3^<i>O</i>,<i>N</i>',<i>O</i>')dioxidovanadate(V) monohydrate","Acta Crystallographica Section E","2010","66","8","m1020","","10.1107/S1600536810028886","","","0.71073","MoKα","","0.0441","0.0394","","","0.117","0.1212","","","","","","1.105","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227204","14.8492","0.0002","19.3511","0.0003","7.8772","0.0001","90","","90","","90","","2263.5","0.05","292","","292","","","","","","","","","6","P n m a","-P 2ac 2n","62","","1,4,8,11-Tetraazoniacyclotetradecane diaquatetrachloridomanganese(II) dichloride dihydrate","","- C10 H36 Cl6 Mn N4 O4 -","- C10 H36 Cl6 Mn N4 O4 -","- C40 H144 Cl24 Mn4 N16 O16 -","4","0.5","BT5316","Pojarová, Michaela; Fejfarová, Karla; El Bali, Brahim","1,4,8,11-Tetraazoniacyclotetradecane diaquatetrachloridomanganese(II) dichloride dihydrate","Acta Crystallographica Section E","2010","66","9","m1103","","10.1107/S1600536810031958","","","0.71069","MoKα","","0.0236","0.0179","","","0.0573","0.0589","","","","","","1.09","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2227393","14.921","0.002","6.7989","0.0011","13.839","0.002","90","","90","","90","","1403.9","0.4","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","6-Isopropyl-5-methoxy-3-phenyl-3<i>H</i>-1,2,3-triazolo[4,5- <i>d</i>]pyrimidin-7(6<i>H</i>)-one","","- C14 H15 N5 O2 -","- C14 H15 N5 O2 -","- C56 H60 N20 O8 -","4","0.5","DN2610","Zeng, Xiao-Hua; Wang, Hong-Mei; Deng, Shou-Heng; Chen, Li-Li","6-Isopropyl-5-methoxy-3-phenyl-3<i>H</i>-1,2,3-triazolo[4,5-<i>d</i>]pyrimidin-7(6<i>H</i>)-one","Acta Crystallographica Section E","2010","66","11","o2947","o2948","10.1107/S1600536810041978","","","0.71073","MoKα","","0.0886","0.0652","","","0.1709","0.1854","","","","","","1.068","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227632","11.2434","0.0012","7.441","0.001","17.69","0.003","90","","90","","90","","1480","0.4","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dichlorido(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","","- C14 H12 Cl2 Co N2 -","- C14 H12 Cl2 Co N2 -","- C56 H48 Cl8 Co4 N8 -","4","0.5","HY2350","Akbarzadeh Torbati, Niloufar; Rezvani, Ali Reza; Safari, Nasser; Amani, Vahid; Khavasi, Hamid Reza","Dichlorido(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","Acta Crystallographica Section E","2010","66","10","m1236","","10.1107/S1600536810035531","","","0.71073","MoKα","","0.053","0.044","","","0.1222","0.1387","","","","","","1.204","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2227688","9.879","0.002","7.2157","0.0015","12.89","0.003","90","","90","","90","","918.8","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-Methylbenzimidazolium thiocyanate","","- C9 H9 N3 S -","- C9 H9 N3 S -","- C36 H36 N12 S4 -","4","0.5","IS2616","A. Shaker, Shayma; Khaledi, Hamid; Mohd Ali, Hapipah","2-Methylbenzimidazolium thiocyanate","Acta Crystallographica Section E","2010","66","11","o2913","","10.1107/S1600536810042145","","","0.71073","MoKα","","0.0393","0.0337","","","0.0872","0.09","","","","","","1.005","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227699","16.6121","0.0013","11.4813","0.0013","12.8274","0.0016","90","","90","","90","","2446.6","0.5","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","4-Ethylanilinium perchlorate‒18-crown-6 (1/1)","","- C20 H36 Cl N O10 -","- C20 H36 Cl N O10 -","- C80 H144 Cl4 N4 O40 -","4","0.5","JH2193","Wu, De-Hong","4-Ethylanilinium perchlorate‒18-crown-6 (1/1)","Acta Crystallographica Section E","2010","66","9","o2278","","10.1107/S1600536810031351","","","0.71073","MoKα","","0.1041","0.0644","","","0.1438","0.1615","","","","","","1.048","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227715","15.583","0.007","11.469","0.005","12.633","0.006","90","","90","","90","","2257.8","1.8","93","2","93","2","","","","","","","","6","P n m a","-P 2ac 2n","62","4-Bromoanilinium perchlorate 18-crown-6 clathrate","4-Bromoanilinium perchlorate‒18-crown-6 (1/1)","","- C18 H31 Br Cl N O10 -","- C18 H31 Br Cl N O10 -","- C72 H124 Br4 Cl4 N4 O40 -","4","0.5","JH2210","Guo, Min; Zhao, Min Min","4-Bromoanilinium perchlorate 18-crown-6 clathrate","Acta Crystallographica Section E","2010","66","11","o2836","","10.1107/S1600536810040481","","","0.71073","MoKα","","0.0406","0.0377","","","0.1017","0.1039","","","","","","1.011","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2227779","7.9744","0.0015","11.948","0.002","12.956","0.002","90","","90","","90","","1234.4","0.4","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I)]- μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]","","- C13 H8 Cu N3 S -","- C13 H8 Cu N3 S -","- C52 H32 Cu4 N12 S4 -","4","0.5","LH5123","Li, Hong; Zhang, Shi Guo","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]","Acta Crystallographica Section E","2010","66","10","m1216","","10.1107/S1600536810035002","","","0.71073","MoKα","","0.0364","0.028","","","0.0771","0.0798","","","","","","1.026","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227821","11.4323","0.0006","10.9146","0.0006","6.1664","0.0004","90","","90","","90","","769.44","0.08","100","1","100","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","(η^4^-<i>s-cis</i>-1,3-butadiene)tricarbonyliron(0)","","- C7 H6 Fe O3 -","- C7 H6 Fe O3 -","- C28 H24 Fe4 O12 -","4","0.5","NC2198","Reiss, Guido J.","Redetermination of (η^4^-<i>s-cis</i>-1,3-butadiene)tricarbonyliron(0)","Acta Crystallographica Section E","2010","66","11","m1369","","10.1107/S1600536810039218","","","0.71073","MoKα","","0.0157","0.0149","","","0.0395","0.0399","","","","","","1.041","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227892","13.9735","0.0004","15.3266","0.0004","8.6576","0.0006","90","","90","","90","","1854.17","0.15","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","(η^5^-Pentamethylcyclopentadienyl)(η^6^-toluene)ruthenium(II) hexafluoridophosphate","","- C17 H23 F6 P Ru -","- C17 H23 F6 P Ru -","- C68 H92 F24 P4 Ru4 -","4","0.5","PK2266","O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.","(η^5^-Pentamethylcyclopentadienyl)(η^6^-toluene)ruthenium(II) hexafluoridophosphate","Acta Crystallographica Section E","2010","66","10","m1264","","10.1107/S1600536810036299","","","0.71073","MoKα","","0.0743","0.0476","","","0.1125","0.131","","","","","","1.07","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228068","15.0417","0.0019","8.1316","0.001","10.5625","0.0014","90","","90","","90","","1291.9","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1-Aminopyridinium triiodidoplumbate(II)","","- C5 H7 I3 N2 Pb -","- C5 H7 I3 N2 Pb -","- C20 H28 I12 N8 Pb4 -","4","0.5","WM2395","Yu, Shan-Shan; Xian, Hua; Duan, Hai-Bao","1-Aminopyridinium triiodidoplumbate(II)","Acta Crystallographica Section E","2010","66","10","m1259","","10.1107/S1600536810036263","","","0.71073","MoKα","","0.0359","0.0247","","","0.0524","0.0562","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2228076","14.116","0.003","6.9347","0.0014","14.997","0.003","90","","90","","90","","1468.1","0.5","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>catena</i>-Poly[[[di-μ-aqua-μ-fumarato-μ-(boric acid)-disodium]-di-μ-aqua] boric acid monosolvate]","","- C4 H16 B2 Na2 O14 -","- C4 H16 B2 Na2 O14 -","- C16 H64 B8 Na8 O56 -","4","0.5","WM2409","Shao, Zhi-Dong; Zhang, Yu-Qi; Wu, Shu-Li; Liang, Yun-Xiao","A novel inorganic‒organic hybrid borate, poly{[Na~2~(C~4~H~2~O~4~)(H~3~BO~3~)(H~2~O)~4~]·H~3~BO~3~}","Acta Crystallographica Section E","2010","66","11","m1460","m1461","10.1107/S1600536810041358","","","0.71073","MoKα","","0.0446","0.0357","","","0.0949","0.1028","","","","","","1.101","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228080","9.2875","0.0001","5.6139","0.0001","13.8064","0.0001","90","","90","","90","","719.853","0.016","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Ba2P2O7","dibarium diphosphate","","- Ba2 O7 P2 -","- Ba2 O7 P2 -","- Ba8 O28 P8 -","4","0.5","WM2413","Zakaria, Driss; Erragh, Fatima; Oudahmane, Abdelghani; El-Ghozzi, Malika; Avignant, Daniel","α-Ba~2~P~2~O~7~","Acta Crystallographica Section E","2010","66","11","i76","i77","10.1107/S1600536810043539","","","0.71073","MoKα","","0.0284","0.0209","","","0.0441","0.0459","","","","","","1.065","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228145","15.3517","0.0004","9.7557","0.0003","16.3502","0.0004","90","","90","","90","","2448.71","0.12","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,3-bis(1-adamantyl)imidazolium tetrachloridoferrate(III)","","- C23 H33 Cl4 Fe N2 -","- C23 H33 Cl4 Fe N2 -","- C92 H132 Cl16 Fe4 N8 -","4","0.5","XU5064","Ikhile, Monisola I.; Bala, Muhammad D.","1,3-Bis(1-adamantyl)imidazolium tetrachloridoferrate(III)","Acta Crystallographica Section E","2010","66","11","m1493","","10.1107/S1600536810043989","","","0.71073","MoKα","","0.0489","0.0341","","","0.083","0.0888","","","","","","1.018","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228226","14.702","0.003","6.0511","0.0012","8.946","0.0018","90","","90","","90","","795.9","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Zinc cadmium hydrogen arsenate","dizinc cadmium hydroxide tetraoxidovanadate","","- Cd0.273 H2 O10 V2 Zn3.727 -","- Cd0.274 H2 O10 V2 Zn3.726 -","- Cd1.096 H8 O40 V8 Zn14.904 -","4","0.5","BR2149","Dordević, Tamara; Stojanović, Jovica; Karanović, Ljiljana","Zn~1.86~Cd~0.14~(OH)VO~4~","Acta Crystallographica Section E","2010","66","12","i79","","10.1107/S1600536810044806","","","0.71073","MoKα","","0.0337","0.0249","","","0.0522","0.0556","","","","","","1.174","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228234","12.7402","0.0008","8.8635","0.0006","8.0174","0.0005","90","","90","","90","","905.35","0.1","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Dipotassium Lanthanum(III) Pentachloride","dipotassium lanthanum pentachloride","","- Cl5 K2 La -","- Cl5 K2 La -","- Cl20 K8 La4 -","4","0.5","BT5401","Schurz, Christian M.; Schleid, Thomas; Meyer, Gerd","K~2~LaCl~5~","Acta Crystallographica Section E","2010","66","12","i78","","10.1107/S1600536810045198","","","0.71073","MoKα","","0.1136","0.0592","","","0.1253","0.1417","","","","","","0.901","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228278","15.4598","0.0016","6.5974","0.0007","11.0844","0.0012","90","","90","","90","","1130.5","0.2","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","Chlorido[4-(pyridin-2-yl-κ<i>N</i>)pyrimidine-2-sulfonato- κ^2^<i>N</i>^3^,<i>O</i>]palladium(II)","","- C9 H6 Cl N3 O3 Pd S -","- C9 H6 Cl N3 O3 Pd S -","- C36 H24 Cl4 N12 O12 Pd4 S4 -","4","0.5","CV5004","Zhu, Hai-Bin; Hou, Xian-Shan","Chlorido[4-(pyridin-2-yl-κ<i>N</i>)pyrimidine-2-sulfonato-κ^2^<i>N</i>^3^,<i>O</i>]palladium(II)","Acta Crystallographica Section E","2010","66","12","m1685","","10.1107/S1600536810049184","","","0.71073","MoKα","","0.0229","0.0211","","","0.0523","0.0534","","","","","","1.064","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228584","9.2842","0.0019","5.6113","0.0011","13.796","0.003","90","","90","","90","","718.7","0.3","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dibarium diphosphate","","- Ba2 O7 P2 -","- Ba2 O7 P2 -","- Ba8 O28 P8 -","4","0.5","WM2406","Heyward, Carla; Mann, Matthew; Kolis, Joseph","Hydrothermally synthesized α-Ba~2~P~2~O~7~","Acta Crystallographica Section E","2010","66","12","i84","","10.1107/S1600536810043527","","","0.71073","MoKα","","0.0596","0.0467","","","0.1153","0.1272","","","","","","1.109","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228903","17.6243","0.0015","18.1889","0.0019","9.461","0.0011","90","","90","","90","","3032.9","0.5","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>cis</i>-Dichloridotetrakis(trimethylphosphane-κ<i>P</i>)ruthenium(II) benzene disolvate","","- C24 H48 Cl2 P4 Ru -","- C24 H48 Cl2 P4 Ru -","- C96 H192 Cl8 P16 Ru4 -","4","0.5","WM2431","Fu, Chen; Wen, Ting Bin","<i>cis</i>-Dichloridotetrakis(trimethylphosphane-κ<i>P</i>)ruthenium(II) benzene disolvate","Acta Crystallographica Section E","2011","67","1","m14","","10.1107/S1600536810049706","","","0.7107","MoKα","","0.1469","0.0578","","","0.0712","0.0807","","","","","","0.82","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229037","5.5121","0.0002","3.4951","0.0001","24.3078","0.0007","90","","90","","90","","468.3","0.03","297","2","297","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Molybdenum platinum silicide","Molybdenum triplatinum tetrasilicide","","- Mo Pt3 Si4 -","- Mo Pt3 Si4 -","- Mo4 Pt12 Si16 -","4","0.5","FI2101","Knittel, Stephane; Francois, Michel; Steinmetz, Jean; Vilasi, Michel","Redetermination of MoPt~3~Si~4~ from single-crystal data","Acta Crystallographica Section E","2011","67","2","i20","","10.1107/S1600536810054425","","","0.71073","MoKα","","0.0315","0.0285","","","0.0657","0.0667","","","","","","1.409","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229097","31.6739","0.0013","6.5824","0.0003","7.3204","0.0003","90","","90","","90","","1526.23","0.11","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","4-Aminopyridinium-3-sulfonate monohydrate","","- C5 H8 N2 O4 S -","- C5 H8 N2 O4 S -","- C40 H64 N16 O32 S8 -","8","1","IM2250","Zhu, Zhi-Biao; Gao, Shan; Ng, Seik Weng","4-Aminopyridinium-3-sulfonate monohydrate","Acta Crystallographica Section E","2011","67","2","o456","","10.1107/S1600536811002145","","","0.71073","MoKα","","0.0638","0.0436","","","0.1234","0.1372","","","","","","1.169","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229264","9.3013","0.0005","3.1008","0.00014","9.3914","0.0006","90","","90","","90","","270.86","0.03","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","trimagnesium titanium(IV) dioxide bis(borate)","","- B2 Mg3 O8 Ti -","- B2 Mg3 O8 Ti -","- B4 Mg6 O16 Ti2 -","2","0.25","WM2443","Kawano, Tetsuya; Yamane, Hisanori","Redetermination of synthetic warwickite, Mg~3~TiO~2~(BO~3~)~2~","Acta Crystallographica Section E","2011","67","2","i18","i19","10.1107/S1600536811002157","","","0.71073","MoKα","","0.0267","0.0257","","","0.0695","0.0702","","","","","","1.204","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229325","7.778","0.0005","31.457","0.002","9.956","0.0006","90","","90","","90","","2436","0.3","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,4-Bis(4-butoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one","","- C28 H37 N O3 -","- C28 H37 N O3 -","- C112 H148 N4 O12 -","4","0.5","BQ2279","Parthiban, P.; Ramkumar, V.; Jeong, Yeon Tae","2,4-Bis(4-butoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2011","67","3","o635","","10.1107/S1600536811005058","","","0.71073","MoKα","","0.0933","0.056","","","0.1365","0.1634","","","","","","1.02","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229472","13.4795","0.0004","20.4372","0.0007","8.041","0.0003","90","","90","","90","","2215.16","0.13","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Ethylenediammonium dipicrate dihydrate","Ethane-1,2-diaminium bis(2,4,6-trinitrophenolate) dihydrate","","- C14 H18 N8 O16 -","- C14 H18 N8 O16 -","- C56 H72 N32 O64 -","4","0.5","OM2399","Jasinski, Jerry P.; Butcher, Ray J.; Hakim Al-arique, Q. N. M.; Yathirajan, H. S.; Narayana, B.","Ethane-1,2-diaminium dipicrate dihydrate","Acta Crystallographica Section E","2011","67","3","o637","o638","10.1107/S1600536811004855","","","0.71073","MoKα","","0.1065","0.0629","","","0.1772","0.1962","","","","","","1.031","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229495","15.8805","0.0011","11.3878","0.0011","12.6754","0.0008","90","","90","","90","","2292.3","0.3","93","2","93","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","4-iodoanilinium perchlorate‒18-crown-6 (1/1)","","- C18 H31 Cl I N O10 -","- C18 H31 Cl I N O10 -","- C72 H124 Cl4 I4 N4 O40 -","4","0.5","RZ2549","Zhang, Yi; Zhao, Min-Min","4-Iodoanilinium perchlorate 18-crown-6 clathrate","Acta Crystallographica Section E","2011","67","3","o596","","10.1107/S1600536811004260","","","0.71073","MoKα","","0.0278","0.0244","","","0.0787","0.0929","","","","","","1.113","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229661","7.3846","0.0004","29.3963","0.0019","10.2739","0.0007","90","","90","","90","","2230.3","0.2","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,4-Bis(4-propoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one","","- C26 H33 N O3 -","- C26 H33 N O3 -","- C104 H132 N4 O12 -","4","0.5","HB5803","Parthiban, P.; Ramkumar, V.; Jeong, Yeon Tae","2,4-Bis(4-propoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2011","67","4","o790","","10.1107/S1600536811007483","","","0.71073","MoKα","","0.0938","0.044","","","0.0852","0.1044","","","","","","0.996","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229802","10.8391","0.0009","16.967","0.0012","22.2871","0.0018","90","","90","","90","","4098.8","0.6","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Dicarbonyldichloridobis(trimethylphosphane)iron(II)‒ carbonyldichloridotris(trimethylphosphane)iron(II)‒tetrahydrofuran (1/1/2)","","- C26 H61 Cl4 Fe2 O5 P5 -","- C26 H61 Cl4 Fe2 O5 P5 -","- C104 H244 Cl16 Fe8 O20 P20 -","4","0.5","PV2394","Rath, Nigam P.; Stouffer, Meghan; Janssen, Matthew K.; Bleeke, John R.","Dicarbonyldichloridobis(trimethylphosphane)iron(II)‒carbonyldichloridotris(trimethylphosphane)iron(II)‒tetrahydrofuran (1/1/2)","Acta Crystallographica Section E","2011","67","4","m462","","10.1107/S1600536811009305","","","0.71073","MoKα","","0.05","0.0337","","","0.0739","0.0809","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229834","13.9126","0.0007","6.7332","0.0004","7.5368","0.0003","90","","90","","90","","706.02","0.06","297","2","297","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","5-Hydroxyindan-1-one","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","0.5","SI2345","Chen, Kew-Yu; Fang, Tzu-Chien; Chang, Ming-Jen","5-Hydroxyindan-1-one","Acta Crystallographica Section E","2011","67","4","o992","","10.1107/S1600536811010956","","","0.71073","MoKα","","0.0627","0.0367","","","0.0778","0.081","","","","","","1.029","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2230476","11.6932","0.0003","14.1254","0.0003","6.513","0.0001","90","","90","","90","","1075.76","0.04","110","","110","","","","","","","","","7","P n m a","-P 2ac 2n","62","","Poly[diacetonitrile[μ~3~-difluoro(oxalato)borato]sodium]","","- C6 H6 B F2 N2 Na O4 -","- C6 H6 B F2 N2 Na O4 -","- C24 H24 B4 F8 N8 Na4 O16 -","4","0.5","SJ5126","Allen, Joshua L.; Boyle, Paul D.; Henderson, Wesley A.","Poly[diacetonitrile[μ~3~-difluoro(oxalato)borato]sodium]","Acta Crystallographica Section E","2011","67","6","m678","","10.1107/S1600536811015091","","","0.71073","MoKα","","0.0489","0.0368","","","0.1067","0.1121","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230848","12.6118","0.0003","28.2378","0.0007","3.8898","0.0001","90","","90","","90","","1385.27","0.06","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","<i>para</i>-bromobenzoic acid anhydride","4-Bromobenzoyl 4-bromobenzoate monohydrate","","- C14 H10 Br2 O4 -","- C14 H10 Br2 O4 -","- C56 H40 Br8 O16 -","4","0.5","RZ2605","Schmitt, Bonell; Gerber, Thomas; Hosten, Eric; Betz, Richard","4-Bromobenzoyl 4-bromobenzoate monohydrate","Acta Crystallographica Section E","2011","67","7","o1662","","10.1107/S1600536811022264","","","0.71073","MoKα","","0.0493","0.0425","","","0.0907","0.0929","","","","","","1.299","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230909","8.151","0.0004","13.7382","0.0005","15.0111","0.0006","90","","90","","90","","1680.94","0.12","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis(3-methylpyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)zinc","","- C14 H14 N4 S2 Zn -","- C14 H14 N4 S2 Zn -","- C56 H56 N16 S8 Zn4 -","4","0.5","WM2500","Boeckmann, Jan; Näther, Christian","Bis(3-methylpyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)zinc","Acta Crystallographica Section E","2011","67","7","m994","","10.1107/S1600536811024561","","","0.71073","MoKα","","0.0666","0.0503","","","0.1141","0.1218","","","","","","1.136","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230953","20.272","0.004","10.22","0.002","7.3727","0.0015","90","","90","","90","","1527.5","0.5","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Dimethylammonium bis(4-methylmorpholin-4-ium) tetrachloridozincate","","- C7 H20 Cl4 N2 O Zn -","- C7 H20 Cl4 N2 O Zn -","- C28 H80 Cl16 N8 O4 Zn4 -","4","0.5","ZK2013","Zhang, Yan-wei; Wang, Yan-fei","Dimethylammonium bis(4-methylmorpholin-4-ium) tetrachloridozincate","Acta Crystallographica Section E","2011","67","7","m1009","","10.1107/S1600536811025049","","","0.71073","MoKα","","0.0349","0.0303","","","0.0703","0.0723","","","","","","1.144","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230981","7.1581","0.0014","4.2853","0.0015","7.7536","0.0009","90","","90","","90","","237.84","0.1","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Calcium aluminium platinum","","- Al Ca Pt -","- Al Ca Pt -","- Al4 Ca4 Pt4 -","4","0.5","WM2532","Kenfack Tsobnang, Patrice; Fotio, Daniel; Ponou, Siméon; Fon Abi, Charles","Calcium platinum aluminium, CaPtAl","Acta Crystallographica, Section E","2011","67","10","i55","i55","10.1107/S1600536811036749","","","0.71073","MoKα","","0.0373","0.028","","","","0.0641","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231041","19.0738","0.0016","19.9598","0.0017","8.6372","0.0007","90","","90","","90","","3288.3","0.5","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Poly[aquabis[μ~3~-4-(3-pyridyl)pyrimidine-2-sulfonato- κ^4^<i>N</i>^4^:<i>N</i>^1^,<i>O</i>:<i>O</i>][μ~2~-4-(3-pyridyl)pyrimidine- 2-sulfonato-κ^3^<i>N</i>^4^:<i>N</i>^1^,<i>O</i>]trisilver(I)]","","- C27 H22 Ag3 N9 O11 S3 -","- C27 H22 Ag3 N9 O11 S3 -","- C108 H88 Ag12 N36 O44 S12 -","4","0.5","CV5105","Liu, Xia; Hu, Dahua","Poly[aquabis[μ~3~-4-(3-pyridyl)pyrimidine-2-sulfonato-κ^4^<i>N</i>^4^:<i>N</i>^1^,<i>O</i>:<i>O</i>][μ~2~-4-(3-pyridyl)pyrimidine-2-sulfonato-κ^3^<i>N</i>^4^:<i>N</i>^1^,<i>O</i>]trisilver(I)]","Acta Crystallographica Section E","2011","67","8","m1067","m1068","10.1107/S1600536811026626","","","0.71073","MoKα","","0.0742","0.0517","","","0.113","0.1186","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231150","14.7106","0.0015","10.4938","0.0011","14.9461","0.0015","90","","90","","90","","2307.2","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","octamethylferrocenium bromanilate","1,1',2,2',3,3',4,4'-Octamethylferrocenium 2,5-dibromo-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate","","- C24 H27 Br2 Fe O4 -","- C24 H27 Br2 Fe O4 -","- C96 H108 Br8 Fe4 O16 -","4","0.5","HY2444","Mochida, Tomoyuki","1,1',2,2',3,3',4,4'-Octamethylferrocenium 2,5-dibromo-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate","Acta Crystallographica Section E","2011","67","8","m1012","","10.1107/S1600536811025499","","","0.71073","MoKα","","0.0928","0.0409","","","0.0703","0.0839","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231176","12.942","0.003","25.118","0.005","5.4353","0.0011","90","","90","","90","","1766.9","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,2'-Bipyridine‒cyclopentane-1,2,3,4-tetracarboxylic acid (1/1)","","- C19 H18 N2 O8 -","- C19 H18 N2 O8 -","- C76 H72 N8 O32 -","4","0.5","JH2304","Lin, Jian-Li; Guo, Xia-Xia; Huang, Wen-Xiang","2,2'-Bipyridine‒cyclopentane-1,2,3,4-tetracarboxylic acid (1/1)","Acta Crystallographica Section E","2011","67","8","o1945","","10.1107/S1600536811025827","","","0.71073","MoKα","","0.061","0.0379","","","0.0794","0.0888","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231227","6.868","0.0012","12.295","0.004","14.12","0.003","90","","90","","90","","1192.3","0.5","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","(1<i>R</i>,2<i>R</i>,3<i>R</i>,4<i>S</i>,5<i>S</i>)-3-Methyl-8- oxabicyclo[3.2.1]oct-6-ene-2,4-diyl diacetate","","- C12 H16 O5 -","- C12 H16 O5 -","- C48 H64 O20 -","4","0.5","MW2015","Tafeenko, Viktor A.; Aslanov, Leonid A.; Proskurnina, Marina V.; Sosonyuk, Sergei E.; Khlevin, Dmitrii A.","(1<i>R</i>,2<i>R</i>,3<i>R</i>,4<i>S</i>,5<i>S</i>)-3-Methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-diyl diacetate","Acta Crystallographica Section E","2011","67","8","o2127","o2128","10.1107/S1600536811027292","","","0.56085","AgKα","","0.1154","0.0552","","","0.1133","0.1379","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231319","7.3412","0.0002","17.5051","0.0005","12.2426","0.0003","90","","90","","90","","1573.28","0.07","183","2","183","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,3-Bis(pyridin-2-yl)-1<i>H</i>-benzimidazol-3-ium tetrafluoridoborate","","- C17 H13 B F4 N4 -","- C17 H13 B F4 N4 -","- C68 H52 B4 F16 N16 -","4","0.5","SU2291","Grieco, Gabriele; Blacque, Olivier; Berke, Heinz","1,3-Bis(pyridin-2-yl)-1<i>H</i>-benzimidazol-3-ium tetrafluoridoborate","Acta Crystallographica Section E","2011","67","8","o2066","o2067","10.1107/S1600536811027942","","","0.71073","MoKα","","","0.0421","","","","0.117","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231562","12.326","0.002","37.226","0.006","3.8726","0.0007","90","","90","","90","","1776.9","0.5","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","4,4'-Dibromo-2,2'-[1,3-phenylenebis(nitrilomethanylylidene)]diphenol","4-bromo-2-(N-{3-[(4-bromo-2- hydroxyphenyl)methylideneamino]phenyl}carboximidoyl)phenol","","- C20 H14 Br2 N2 O2 -","- C20 H14 Br2 N2 O2 -","- C80 H56 Br8 N8 O8 -","4","0.5","IS2759","Ha, Kwang","4,4'-Dibromo-2,2'-[<i>m</i>-phenylenebis(nitrilomethanylylidene)]diphenol","Acta Crystallographica Section E","2011","67","9","o2234","","10.1107/S1600536811030431","","","0.71073","MoKα","","0.099","0.0457","","","0.0795","0.0998","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231834","10.0764","0.0007","36.069","0.002","5.8322","0.0004","90","","90","","90","","2119.7","0.2","294","2","294","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-{(1<i>E</i>)-1-[(3-{(<i>E</i>)-[1-(2-Hydroxy-4- methoxyphenyl)ethylidene]amino}-2,2-dimethylpropyl)imino]ethyl}-5-methoxyphenol","","- C23 H30 N2 O4 -","- C23 H30 N2 O4 -","- C92 H120 N8 O16 -","4","0.5","BT5648","Ghaemi, Akbar; Rayati, Saeed; Elahi, Ehsan; Ng, Seik Weng; Tiekink, Edward R. T.","2-{(1<i>E</i>)-1-[(3-{(<i>E</i>)-[1-(2-Hydroxy-4-methoxyphenyl)ethylidene]amino}-2,2-dimethylpropyl)imino]ethyl}-5-methoxyphenol","Acta Crystallographica Section E","2011","67","10","o2760","","10.1107/S1600536811038815","","","0.71073","MoKα","","0.0667","0.0545","","","0.1474","0.1551","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232204","13.167","0.009","6.463","0.005","8.19","0.006","90","","90","","90","","697","0.9","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","5-Chloro-1,3-dimethyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C6 H7 Cl N2 O -","- C6 H7 Cl N2 O -","- C24 H28 Cl4 N8 O4 -","4","0.5","CV5167","Shen, Yong-Jun; Xu, Mei; Fan, Chong-Guang","5-Chloro-1,3-dimethyl-1<i>H</i>-pyrazole-4-carbaldehyde","Acta Crystallographica Section E","2011","67","11","o2936","","10.1107/S1600536811041407","","","0.71073","MoKα","","0.0311","0.0272","","","0.08","0.0814","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232568","11.486","0.002","6.6615","0.0014","5.2406","0.0011","90","","90","","90","","400.98","0.14","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","sodium calcium arsenate","","- As Ca Na O4 -","- As Ca Na O4 -","- As4 Ca4 Na4 O16 -","4","0.5","BR2179","Lin, Jinru; Sun, Wei; Mi, Jin-Xiao; Pan, Yuanming","A sodium calcium arsenate, NaCa(AsO~4~)","Acta Crystallographica Section E","2011","67","12","i69","","10.1107/S160053681104428X","","","0.71073","MoKα","","0.0212","0.0209","","","0.067","0.0674","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232611","11.6745","0.0009","16.0848","0.0014","5.9301","0.0004","90","","90","","90","","1113.57","0.15","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","3,5-Dibromo-4-oxo-2,2,6,6-tetramethylpiperidin-1-yl oxide","","- C9 H14 Br2 N O2 -","- C9 H14 Br2 N O2 -","- C36 H56 Br8 N4 O8 -","4","0.5","BX2376","Zhu, Guang-Zhou; Xu, Suo-Ping; Li, Cui-Yun","3,5-Dibromo-4-oxo-2,2,6,6-tetramethylpiperidin-1-yl oxide","Acta Crystallographica Section E","2011","67","12","o3262","","10.1107/S1600536811046812","","","0.71073","MoKα","","0.0519","0.0335","","","0.0795","0.0886","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232678","20.744","0.004","21.498","0.004","13.623","0.003","90","","90","","90","","6075","2","293","2","293","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","Bis[tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] octakis-μ-~3~-oxido-hexadeca-μ~2~-oxido-tetradecaoxido-μ~12~- tetraoxosilicato-octamolybdenum(VI)hexavanadium(IV,V) hexahydrate","","- C12 H60 Co2 Mo8 N12 O48 Si V6 -","- C12 H48 Co2 Mo8 N12 O48 Si V6 -","- C48 H192 Co8 Mo32 N48 O192 Si4 V24 -","4","0.5","GK2413","Lu, Yu-Kun; Tian, Ming-Ming; Xu, Shu-Gang; Lü, Ren-Qing; Liu, Yun-Qi","Bis[tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] octakis-μ-~3~-oxido-hexadeca-μ~2~-oxido-tetradecaoxido-μ~12~-tetraoxosilicato-octamolybdenum(VI)hexavanadium(IV,V) hexahydrate","Acta Crystallographica Section E","2011","67","12","m1776","m1777","10.1107/S1600536811048197","","","0.71073","MoKα","","0.0794","0.0537","","","0.1208","0.1333","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232797","8.628","0.002","6.9795","0.0017","18.222","0.004","90","","90","","90","","1097.3","0.4","294","2","294","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","(<i>Z</i>)-1-[2-(Trifluoromethyl)benzylidene]thiosemicarbazide","","- C9 H8 F3 N3 S -","- C9 H8 F3 N3 S -","- C36 H32 F12 N12 S4 -","4","0.5","IS2791","Chen, Xin; Jing, Zuo-Liang","(<i>Z</i>)-1-[2-(Trifluoromethyl)benzylidene]thiosemicarbazide","Acta Crystallographica Section E","2011","67","12","o3369","","10.1107/S1600536811047623","","","0.71073","MoKα","","0.0558","0.0362","","","0.0982","0.113","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232864","15.726","0.003","11.525","0.002","12.896","0.003","90","","90","","90","","2337.3","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","4-Chloroanilinium perchlorate‒18-crown-16 (1/1)","","- C18 H31 Cl2 N O10 -","- C18 H31 Cl2 N O10 -","- C72 H124 Cl8 N4 O40 -","4","0.5","MW2036","Yu, Chun-Hua","4-Chloroanilinium perchlorate‒18-crown-16 (1/1)","Acta Crystallographica Section E","2011","67","12","o3400","","10.1107/S1600536811048859","","","0.71073","MoKα","","0.0594","0.0454","","","0.1072","0.1138","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232987","11.4784","0.0004","8.201","0.0003","7.3799","0.0003","90","","90","","90","","694.7","0.05","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Zirconium Lanthanum Sulfide","Zirconium(IV) dilanthanum(III) pentasulfide","","- La2 S5 Zr -","- La2 S5 Zr -","- La8 S20 Zr4 -","4","0.5","WM2549","Raw, Adam D.; Ibers, James A.","Zirconium(IV) dilanthanum(III) pentasulfide","Acta Crystallographica Section E","2011","67","12","i70","","10.1107/S1600536811045193","","","0.71073","MoKα","","0.0174","0.0169","","","0.056","0.0563","","","","","","2.514","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233054","14.1055","0.0013","16.3331","0.0014","5.2694","0.0004","90","","90","","90","","1214","0.18","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","1,4,8,9-tetraazatriphenylene-2,3-dicarbonitrile","pyrazino[2,3-<i>f</i>][1,10]phenanthroline-2,3-dicarbonitrile","","- C16 H6 N6 -","- C16 H6 N6 -","- C64 H24 N24 -","4","0.5","ZQ2127","Yang, Wei; Qiu, Qi-Ming; Zhou, Li-Li; Jin, Qiong-Hua; Zhang, Cun-Lin","An orthorhombic polymorph of pyrazino[2,3-<i>f</i>][1,10]phenanthroline-2,3-dicarbonitrile","Acta Crystallographica Section E","2011","67","12","o3250","o3251","10.1107/S1600536811047039","","","0.71073","MoKα","","0.0675","0.041","","","0.0964","0.1192","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233111","15.51","0.003","11.717","0.002","13.014","0.003","90","","90","","90","","2365","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","4-Methylanilinium perchlorate‒18-crown-6 (1/1)","4-Methylanilinium perchlorate‒1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)","","- C19 H34 Cl N O10 -","- C19 H34 Cl N O10 -","- C76 H136 Cl4 N4 O40 -","4","0.5","CV5196","Wang, Yu-Feng","4-Methylanilinium perchlorate 18-crown-6 clathrate","Acta Crystallographica Section E","2012","68","1","o185","","10.1107/S1600536811053992","","","0.71073","MoKα","","0.075","0.052","","","0.12","0.1314","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233158","8.2265","0.0001","33.0103","0.0002","10.0322","0.0005","90","","90","","90","","2724.34","0.14","119.9","0.2","120","","","","","","","","","4","P n m a","-P 2ac 2n","62","","6,6'-Di-<i>tert</i>-butyl-4,4'-dimethoxy-2,2'-[1,3-diazinane-1,3- diylbis(methylene)]diphenol 0.19-hydrate","","- C28 H42.38 N2 O4.19 -","- C28 H42.37 N2 O4.185 -","- C112 H169.48 N8 O16.74 -","4","0.5","GO2039","Rivera, Augusto; González, Derly Marcela; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","6,6'-Di-<i>tert</i>-butyl-4,4'-dimethoxy-2,2'-[1,3-diazinane-1,3-diylbis(methylene)]diphenol 0.19-hydrate","Acta Crystallographica Section E","2012","68","1","o191","o192","10.1107/S1600536811053542","","","1.5418","CuKα","","0.0363","0.035","","","0.1205","0.1219","","","","","","2.64","","","","has coordinates,has Fobs","194389","2020-10-21","18:00:00",""
"2233180","14.3537","0.0009","7.0069","0.0005","8.2605","0.0005","90","","90","","90","","830.8","0.09","123","2","123","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","3,3-Dimethyl-2-benzofuran-1(3<i>H</i>)-one","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","0.5","HB6560","Siddegowda, M. S.; Butcher, Ray J.; Yıldırım, Sema Ozturk; Akkurt, Mehmet; Yathirajan, H. S.; Ramesha, A. R.","3,3-Dimethyl-2-benzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","1","o113","","10.1107/S1600536811052913","","","0.71073","MoKα","","0.068","0.0522","","","0.1244","0.1334","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233282","7.4877","0.0008","6.753","0.0007","12.6615","0.0013","90","","90","","90","","640.22","0.12","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","5,6-Dimethyl-1,2,4-triazin-3-amine","","- C5 H8 N4 -","- C5 H8 N4 -","- C20 H32 N16 -","4","0.5","RN2097","Wu, Man-Hua; Qiu, Qi-Ming; Gao, Sen; Jin, Qiong-Hua; Zhang, Cun-Lin","5,6-Dimethyl-1,2,4-triazin-3-amine","Acta Crystallographica Section E","2012","68","1","o39","","10.1107/S1600536811051920","","","0.71073","MoKα","","0.0722","0.0483","","","0.1319","0.1567","","","","","","1.111","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233772","15.8432","0.0017","6.9942","0.0008","13.1975","0.0014","90","","90","","90","","1462.4","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2-[(2-Chlorophenyl)iminomethyl]-4,6-diiodophenol","","- C13 H8 Cl I2 N O -","- C13 H8 Cl I2 N O -","- C52 H32 Cl4 I8 N4 O4 -","4","0.5","CV5247","Ji, Hao; Yang, Yong-An; Ma, Hua-Ping; Zhu, Hai-Liang","2-[(2-Chlorophenyl)iminomethyl]-4,6-diiodophenol","Acta Crystallographica Section E","2012","68","3","o841","","10.1107/S1600536812007325","","","0.71073","MoKα","","0.0423","0.0387","","","0.1385","0.1436","","","","","","0.976","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233825","15.619","0.003","11.374","0.002","12.956","0.003","90","","90","","90","","2301.6","0.8","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","4-Chloroanilinium tetrafluoroborate 1,4,7,10,13,16-hexaoxacyclooctadecane","","- C18 H31 B Cl F4 N O6 -","- C18 H31 B Cl F4 N O6 -","- C72 H124 B4 Cl4 F16 N4 O24 -","4","0.5","HB6580","Xu, Jie; Zhao, Min-Min","4-Chloroanilinium tetrafluoroborate 18-crown-6 clathrate","Acta Crystallographica Section E","2012","68","3","o738","","10.1107/S1600536812006216","","","0.71073","MoKα","","0.1427","0.0683","","","0.1435","0.1757","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233861","10.1524","0.0009","23.8858","0.0017","5.0922","0.0004","90","","90","","90","","1234.85","0.17","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dibenzylazanium chloride","","- C14 H16 Cl N -","- C14 H16 Cl N -","- C56 H64 Cl4 N4 -","4","0.5","HG5170","Selvakumaran, N.; Karvembu, R.; Ng, Seik Weng; Tiekink, Edward R. T.","Dibenzylazanium chloride","Acta Crystallographica Section E","2012","68","3","o577","","10.1107/S1600536812003777","","","0.71073","MoKα","","0.072","0.0486","","","0.1116","0.1246","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233878","14.962","0.003","13.416","0.003","10.347","0.002","90","","90","","90","","2077","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Triaquachlorido(18-crown-6)barium chloride","","- C12 H30 Ba Cl2 O9 -","- C12 H30 Ba Cl2 O9 -","- C48 H120 Ba4 Cl8 O36 -","4","0.5","HY2512","Zhao, Min-Min","Triaquachlorido(18-crown-6)barium chloride","Acta Crystallographica Section E","2012","68","3","m286","","10.1107/S1600536812004990","","","0.71073","MoKα","","0.0293","0.0257","","","0.046","0.0468","","","","","","1.199","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234301","11.547","0.0004","20.9656","0.0007","7.873","0.0003","90","","90","","90","","1905.97","0.12","100","1","100","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","{5,5'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}palladium(II)","","- C21 H24 N2 O4 Pd -","- C21 H24 N2 O4 Pd -","- C84 H96 N8 O16 Pd4 -","4","0.5","KJ2196","Che Soh, Siti Kamilah; Shamsuddin, Mustaffa; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","{5,5'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}palladium(II)","Acta Crystallographica Section E","2012","68","4","m514","m515","10.1107/S1600536812013128","","","0.71073","MoKα","","0.0173","0.0163","","","0.0425","0.0431","","","","","","1.126","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234370","7.3677","0.0015","8.1353","0.0016","15.107","0.003","90","","90","","90","","905.5","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","<i>catena</i>-Poly[(triaquazinc)-μ-furan-2,5-dicarboxylato- κ^3^<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^2'^]","","- C6 H8 O8 Zn -","- C6 H8 O8 Zn -","- C24 H32 O32 Zn4 -","4","0.5","QM2058","Li, Ya-Feng; Gao, Yue; Xu, Yue; Qin, Xiao-Lin; Gao, Wen-Yuan","<i>catena</i>-Poly[(triaquazinc)-μ-furan-2,5-dicarboxylato-κ^3^<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^2'^]","Acta Crystallographica Section E","2012","68","4","m500","","10.1107/S1600536812012111","","","0.71073","MoKα","","0.0857","0.0825","","","0.2212","0.2238","","","","","","1.105","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234505","7.3795","0.0008","20.706","0.004","11.028","0.002","90","","90","","90","","1685.1","0.5","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Poly[bis(1-carbamoylguanidinium) [tri-μ-chlorido-dichloridobismuthate(III)]]","","- C4 H14 Bi Cl5 N8 O2 -","- C4 H14 Bi Cl5 N8 O2 -","- C16 H56 Bi4 Cl20 N32 O8 -","4","0.5","BG2453","Ferjani, Hel; Boughzala, Habib; Driss, Ahmed","Poly[bis(1-carbamoylguanidinium) [tri-μ-chlorido-dichloridobismuthate(III)]]","Acta Crystallographica Section E","2012","68","5","m615","","10.1107/S1600536812015668","","","0.71073","MoKα","","0.0371","0.0292","","","0.0761","0.0798","","","","","","1.095","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234523","8.651","0.002","41.235","0.01","6.0517","0.0014","90","","90","","90","","2158.8","0.9","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","1,3-Bis[(naphthalen-2-ylsulfanyl)methyl]benzene","","- C28 H22 S2 -","- C28 H22 S2 -","- C112 H88 S8 -","4","0.5","BT5855","Padilla-Mata, Esteban; German-Acacio, Juan M.; García-Eleno, Marco A.; Reyes-Martínez, Reyna; Morales-Morales, David","1,3-Bis[(naphthalen-2-ylsulfanyl)methyl]benzene","Acta Crystallographica Section E","2012","68","5","o1429","","10.1107/S1600536812015280","","","0.71073","MoKα","","0.0859","0.0537","","","0.1117","0.1235","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234570","7.5995","0.0015","23.165","0.005","11.453","0.002","90","","90","","90","","2016.2","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis(2-methylpiperidinium) pentachloridoantimonate(III)","","- C12 H28 Cl5 N2 Sb -","- C12 H28 Cl5 N2 Sb -","- C48 H112 Cl20 N8 Sb4 -","4","0.5","CV5279","Xu, Qian","Bis(2-methylpiperidinium) pentachloridoantimonate(III)","Acta Crystallographica Section E","2012","68","5","m671","","10.1107/S1600536812017163","","","0.71073","MoKα","","0.0459","0.0331","","","0.0615","0.0652","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234815","14.596","0.002","6.2782","0.001","7.3018","0.0012","90","","90","","90","","669.11","0.18","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-Chloro-5-nitropyridin-4-amine","","- C5 H4 Cl N3 O2 -","- C5 H4 Cl N3 O2 -","- C20 H16 Cl4 N12 O8 -","4","0.5","SU2408","He, Jian-Ling","2-Chloro-5-nitropyridin-4-amine","Acta Crystallographica Section E","2012","68","5","o1540","","10.1107/S1600536812017643","","","0.71073","MoKα","","0.0326","0.0282","","","0.0792","0.0821","","","","","","1.155","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235027","16.302","0.003","6.1012","0.001","8.0318","0.0013","90","","90","","90","","798.9","0.2","160","2","160","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-Cyano-1-methylpyridinium nitrate","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C28 H28 N12 O12 -","4","0.5","HB6770","Koplitz, Lynn V.; Mague, Joel T.; Kammer, Michael N.; McCormick, Cameron A.; Renfro, Heather E.; Vumbaco, David J.","2-Cyano-1-methylpyridinium nitrate","Acta Crystallographica Section E","2012","68","6","o1653","","10.1107/S1600536812019460","","","0.71073","MoKα","","0.0638","0.059","","","0.1523","0.1564","","","","","","1.143","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235053","6.81","0.004","6.506","0.004","15.277","0.009","90","","90","","90","","676.9","0.7","113","2","113","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3-Methoxy-4-methyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one monohydrate","","- C4 H9 N3 O3 -","- C4 H9 N3 O3 -","- C16 H36 N12 O12 -","4","0.5","HB6806","Gao, Wei; Wang, Xin-Ling; Yang, Jing; Wu, Xue-Fen","3-Methoxy-4-methyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one monohydrate","Acta Crystallographica Section E","2012","68","6","o1925","","10.1107/S1600536812023380","","","0.71073","MoKα","","0.0375","0.0323","","","0.0871","0.0899","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235411","8.7292","0.0008","37.428","0.003","10.1806","0.0009","90","","90","","90","","3326.2","0.5","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","4,4',6,6'-Tetra-<i>tert</i>-butyl-2,2'-[1,3-diazinane-1,3- diylbis(methylene)]diphenol 0.25-hydrate","","- C136 H218 N8 O9 -","- C34 H54.5 N2 O2.25 -","- C136 H218 N8 O9 -","4","0.5","FJ2558","Zhang, Manman; Li, Li; Yuan, Fugen; Qian, Hui","4,4',6,6'-Tetra-<i>tert</i>-butyl-2,2'-[1,3-diazinane-1,3-diylbis(methylene)]diphenol 0.25-hydrate","Acta Crystallographica Section E","2012","68","7","o2123","","10.1107/S1600536812026505","","","0.71073","MoKα","","0.0525","0.0461","","","0.1246","0.1302","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235415","13.8388","0.0006","9.1771","0.0004","16.4365","0.0008","90","","90","","90","","2087.44","0.16","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","Dicarbonyl(hexamethylene-1,3,5,7-tetramine-κ<i>N</i>^1^)(η^5^- pentamethylcyclopentadienyl)iron(II) tetrafluoridoborate","","- C18 H27 B F4 Fe N4 O2 -","- C18 H27 B F4 Fe N4 O2 -","- C72 H108 B4 F16 Fe4 N16 O8 -","4","0.5","FJ2565","M'thiruaine, Cyprian M.; Friedrich, Holger B.; Changamu, Evans O.; Fernandes, Manuel A.","Dicarbonyl(hexamethylene-1,3,5,7-tetramine-κ<i>N</i>^1^)(η^5^-pentamethylcyclopentadienyl)iron(II) tetrafluoridoborate","Acta Crystallographica Section E","2012","68","7","m931","","10.1107/S1600536812026360","","","0.71073","MoKα","","0.0451","0.0334","","","0.0897","0.094","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235738","8.818","0.002","13.764","0.002","7.918","0.002","90","","90","","90","","961","0.4","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Propane-1,3-diammonium dichromate(VI)","","- C3 H12 Cr2 N2 O7 -","- C3 H12 Cr2 N2 O7 -","- C12 H48 Cr8 N8 O28 -","4","0.5","BH2445","Trabelsi, Sonia; Marouani, Houda; Al-Deyab, Salem S.; Rzaigui, Mohamed","Propane-1,3-diammonium dichromate(VI)","Acta Crystallographica Section E","2012","68","8","m1056","","10.1107/S1600536812031042","","","0.56083","AgKα","","0.0502","0.0324","","","0.0887","0.0956","","","","","","1.101","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236008","11.0563","0.0015","7.56","0.001","5.3637","0.0007","90","","90","","90","","448.33","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Nioboaeschynite-(Ce)","calcium cerium(III) niobium(V) titanium(IV) hexaoxide","","- Ca0.25 Ce0.79 Nb1.14 O6 Ti0.86 -","- Ca0.25 Ce0.788 Nb1.14 O6 Ti0.86 -","- Ca Ce3.152 Nb4.56 O24 Ti3.44 -","4","0.5","WM2645","Morrison, Shaunna M.; Downs, Robert T.; Domanik, Kenneth J.; Yang, Hexiong; Doell, Donald","Nioboaeschynite-(Ce), Ce(NbTi)O~6~","Acta Crystallographica Section E","2012","68","8","i64","i65","10.1107/S1600536812031765","","","0.71073","MoKα","","0.0325","0.0234","","","0.0519","0.0554","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236083","11.928","0.0004","26.1702","0.0014","6.9656","0.0003","90","","90","","90","","2174.37","0.17","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,4-Bis(4-ethoxyphenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-one","","- C25 H30 N O3 -","- C25 H30 N O3 -","- C100 H120 N4 O12 -","4","0.5","BQ2375","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","2,4-Bis(4-ethoxyphenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2012","68","10","o2999","","10.1107/S1600536812039840","","","0.71073","MoKα","","0.0686","0.0471","","","0.1209","0.1328","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236472","15.0788","0.0013","20.432","0.003","7.8456","0.0007","90","","90","","90","","2417.2","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","(2,6-DMPyH).Br","2,6-Dimethylpyridinium bromide","","- C7 H10 Br N -","- C7 H10 Br N -","- C84 H120 Br12 N12 -","12","1.5","LR2077","Haddad, Salim F.; Ali, Basem F.; Al-Far, Rawhi","2,6-Dimethylpyridinium bromide","Acta Crystallographica Section E","2012","68","10","o2983","o2984","10.1107/S1600536812039578","","","0.71073","MoKα","","0.0584","0.0404","","","0.0935","0.102","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236592","8.9263","0.0008","3.4673","0.0003","13.2596","0.0015","90","","90","","90","","410.39","0.07","290","1","290","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","Titanium(II) thiogermanate(IV)","","- Ge S3 Ti -","- Ge S3 Ti -","- Ge4 S12 Ti4 -","4","0.5","RU2041","Kim, Pilsoo; Yun, Hoseop","TiGeS~3~","Acta Crystallographica Section E","2012","68","10","i72","","10.1107/S1600536812037087","","","0.71073","MoKα","","0.0332","0.0322","","","","0.0762","","","","","","1.163","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236699","9.8405","0.0002","4.7502","0.0001","19.1008","0.0004","90","","90","","90","","892.85","0.03","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","dibarium tritelluridocadmate","","- Ba2 Cd Te3 -","- Ba2 Cd Te3 -","- Ba8 Cd4 Te12 -","4","0.5","WM2681","Yang, Min; Xia, Sheng-Qing; Tao, Xu-Tang","Redetermination of Ba~2~CdTe~3~ from single-crystal X-ray data","Acta Crystallographica Section E","2012","68","10","i77","","10.1107/S1600536812038974","","","0.71073","MoKα","","0.0393","0.0249","","","0.038","0.0406","","","","","","0.986","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236753","10.401","0.002","7.028","0.0014","17.106","0.003","90","","90","","90","","1250.4","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>N</i>-(5-Chloro-2-nitrophenyl)-2,2-dimethylpropanamide","","- C11 H12 Cl N2 O3 -","- C11 H12 Cl N2 O3 -","- C44 H48 Cl4 N8 O12 -","4","0.5","ZJ2083","Zhang, Feng; Fang, Zheng; Zou, Bao-Hua; Kai, Guo","<i>N</i>-(5-Chloro-2-nitrophenyl)-2,2-dimethylpropanamide","Acta Crystallographica Section E","2012","68","9","o2771","","10.1107/S1600536812027730","","","0.71073","MoKα","","0.1274","0.0636","","","0.1492","0.179","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237215","14.1344","0.001","6.542","0.0005","11.3748","0.0008","90","","90","","90","","1051.8","0.13","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","(<i>Z</i>)-1-Chloro-1-[2-(2-nitrophenyl)hydrazinylidene]propan-2-one","","- C9 H8 Cl N3 O3 -","- C9 H8 Cl N3 O3 -","- C36 H32 Cl4 N12 O12 -","4","0.5","RN2108","Morjan, Rami Y.; Abu Thaher, Bassam A.; Schollmeyer, Dieter; Awadallah, Adel M.; Gardiner, John M.","(<i>Z</i>)-1-Chloro-1-[2-(2-nitrophenyl)hydrazinylidene]propan-2-one","Acta Crystallographica Section E","2013","69","1","o72","","10.1107/S1600536812049938","","","0.71073","MoKα","","0.0659","0.0442","","","0.1064","0.1207","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237254","9.3109","0.0019","11.431","0.002","24.718","0.005","90","","90","","90","","2630.8","0.9","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Butan-1-aminium tetrachloridoferrate(III)‒18-crown-6 (1/1)","Butan-1-aminium tetrachloridoferrate(III)‒1,4,7,10,13,16- hexaoxacyclooctadecane (1/1)","","- C16 H36 Cl4 Fe N O6 -","- C16 H36 Cl4 Fe N O6 -","- C64 H144 Cl16 Fe4 N4 O24 -","4","0.5","XU5660","Zhang, Yuan","Butan-1-aminium tetrachloridoferrate(III)‒18-crown-6 (1/1)","Acta Crystallographica Section E","2013","69","1","m38","","10.1107/S160053681204994X","","","0.71073","MoKα","","0.15","0.0788","","","0.1965","0.234","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237424","11.9233","0.0009","9.0768","0.0007","8.1737","0.0006","90","","90","","90","","884.6","0.12","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dipotassium trichloridostannate(II) chloride monohydrate","","- Cl4 H2 K2 O Sn -","- Cl4 H2 K2 O Sn -","- Cl16 H8 K8 O4 Sn4 -","4","0.5","WM2717","Ye, Fei; Reuter, Hans","Redetermination of dipotassium trichloridostannate(II) chloride monohydrate","Acta Crystallographica Section E","2013","69","2","i10","","10.1107/S1600536813001372","","","0.71073","MoKα","","0.0152","0.0126","","","0.0271","0.0279","","","","","","1.116","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237449","12.1455","0.0003","3.9884","0.0001","14.3837","0.0004","90","","90","","90","","696.76","0.03","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","BaEr2S4","Barium dierbium(III) tetrasulfide","","- Ba Er2 S4 -","- Ba Er2 S4 -","- Ba4 Er8 S16 -","4","0.5","BR2222","Mesbah, Adel; Stojko, Wojciech; Ibers, James. A","Barium dierbium(III) tetrasulfide","Acta Crystallographica Section E","2013","69","3","i17","","10.1107/S1600536813003541","","","0.71073","MoKα","","0.0169","0.0166","","","0.0491","0.0502","","","","","","1.866","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237632","7.3695","0.0005","8.2367","0.0005","14.2398","0.0007","90","","90","","90","","864.36","0.09","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>o</i>-Phenylenediaminium chloride nitrate","","- C6 H10 Cl N3 O3 -","- C6 H10 Cl N3 O3 -","- C24 H40 Cl4 N12 O12 -","4","0.5","HB7052","Soudani, Sarra; Kefi, Riadh; Jelsch, Christian; Wenger, Emmanuel; Ben Nasr, Cherif","<i>o</i>-Phenylenediaminium chloride nitrate","Acta Crystallographica Section E","2013","69","4","o600","","10.1107/S1600536813007447","","","0.56085","AgKα","","0.0235","0.0235","","","0.0531","0.0531","","","","","","0.801","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237727","13.139","0.003","9.6674","0.0018","15.393","0.003","90","","90","","90","","1955.2","0.7","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Bromido(1,4,7,10,13-pentaazacyclohexadecane)cobalt(III) dibromide dihydrate","","- C11 H31 Br3 Co N5 O2 -","- C11 H31 Br3 Co N5 O2 -","- C44 H124 Br12 Co4 N20 O8 -","4","0.5","WM2723","Kurisaki, Tsutomu; Hamano, Makoto; Wakita, Hisanobu","Bromido(1,4,7,10,13-pentaazacyclohexadecane)cobalt(III) dibromide dihydrate","Acta Crystallographica Section E","2013","69","4","m179","m180","10.1107/S1600536813004947","","","0.71073","MoKα","","0.0431","0.0309","","","0.0708","0.076","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237776","14.6494","0.0002","20.0535","0.0003","8.7694","0.0001","90","","90","","90","","2576.2","0.06","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","{<i>N</i>,<i>N</i>-Bis[bis(2,2,2-trifluoroethoxy)phosphanyl]methylamine-κ^2^<i>P</i>,<i>P</i>'}bis(η^5^-cyclopentadienyl)titanium(II)","","- C19 H21 F12 N O4 P2 Ti -","- C19 H21 F12 N O4 P2 Ti -","- C76 H84 F48 N4 O16 P8 Ti4 -","4","0.5","BT6910","Haehnel, Martin; Hansen, Sven; Spannenberg, Anke; Beweries, Torsten","{<i>N</i>,<i>N</i>-Bis[bis(2,2,2-trifluoroethoxy)phosphanyl]methylamine-κ^2^<i>P</i>,<i>P</i>'}bis(η^5^-cyclopentadienyl)titanium(II)","Acta Crystallographica Section E","2013","69","6","m346","","10.1107/S1600536813014244","","","0.71073","MoKα","","0.0373","0.0306","","","0.0745","0.079","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237813","14.5204","0.0009","7.2358","0.0005","10.3955","0.0006","90","","90","","90","","1092.22","0.12","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tetraammine-2κ^4^<i>C</i>-μ-cyanido-1:2κ^2^<i>C</i>:<i>N</i>-tricyanido-1κ^3^<i>C</i>-copper(II)palladium(II)","","- C4 H12 Cu N8 Pd -","- C4 H12 Cu N8 Pd -","- C16 H48 Cu4 N32 Pd4 -","4","0.5","FF2104","Suchá, Veronika; Kuchár, Juraj; Harms, Klaus","Tetraammine-2κ^4^<i>C</i>-μ-cyanido-1:2κ^2^<i>C</i>:<i>N</i>-tricyanido-1κ^3^<i>C</i>-copper(II)palladium(II)","Acta Crystallographica Section E","2013","69","5","i32","","10.1107/S1600536813011033","","","0.71073","MoKα","","0.0278","0.0247","","","0.0604","0.0611","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238014","19.7213","0.0002","6.4245","0.0002","6.7197","0.0006","90","","90","","90","","851.38","0.08","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","","3-Amino-5,6-dimethyl-1,2,4-triazin-2-ium nitrate","","- C5 H9 N5 O3 -","- C5 H9 N5 O3 -","- C20 H36 N20 O12 -","4","0.5","RZ5062","Bel Haj Salah, Souhir; Mrad, Mohamed Lahbib; Ferretti, Valeria; Lefebvre, Frederic; Ben Nasr, Cherif","3-Amino-5,6-dimethyl-1,2,4-triazin-2-ium nitrate","Acta Crystallographica Section E","2013","69","6","o844","","10.1107/S1600536813012026","","","0.71073","MoKα","","0.0602","0.0487","","","0.1478","0.1605","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238128","22.256","0.008","7.449","0.007","9.929","0.009","90","","90","","90","","1646","2","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Pentaaqua(dimethylformamide)cobalt(II) sulfate dimethylformamide monosolvate","","- C6 H24 Co N2 O11 S -","- C6 H24 Co N2 O11 S -","- C24 H96 Co4 N8 O44 S4 -","4","0.5","BQ2385","Taş, Murat; Çamur, Seval; Topal, Sevim","Pentaaqua(dimethylformamide)cobalt(II) sulfate dimethylformamide monosolvate","Acta Crystallographica Section E","2013","69","7","m373","","10.1107/S1600536813012841","","","0.7107","MoKα","","0.0496","0.0413","","","0.0939","0.1002","","","","","","1.143","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238199","18.052","0.002","19.846","0.002","5.0388","0.0006","90","","90","","90","","1805.2","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","{2,2'-[(1,2-Dicyanoethene-1,2-diyl)bis(nitrilomethanylylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(methanol-κ<i>O</i>)zinc","","- C19 H14 N4 O3 Zn -","- C19 H14 N4 O3 Zn -","- C76 H56 N16 O12 Zn4 -","4","0.5","JJ2167","Wang, Zhi-Chun; Chu, Jing; Zhan, Shu-Zhong","{2,2'-[(1,2-Dicyanoethene-1,2-diyl)bis(nitrilomethanylylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(methanol-κ<i>O</i>)zinc","Acta Crystallographica Section E","2013","69","7","m419","","10.1107/S1600536813016863","","","0.71073","MoKα","","0.0664","0.0362","","","0.0901","0.1039","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238280","7.492","0.0002","22.1442","0.0006","11.6045","0.0003","90","","90","","90","","1925.24","0.09","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Diaqua{2,2'-dimethoxy-6,6'-[(1<i>E</i>,1'<i>E</i>)-propane-1,3-diylbis(azanylylidene)bis(methanylylidene)]diphenolato}nickel(II)","","- C19 H24 N2 Ni O6 -","- C19 H24 N2 Ni O6 -","- C76 H96 N8 Ni4 O24 -","4","0.5","WM2747","Datta, Amitabha; Machura, Barbara; Huang, Jui-Hsien; Sheu, Shiann-Cherng","Diaqua{2,2'-dimethoxy-6,6'-[(1<i>E</i>,1'<i>E</i>)-propane-1,3-diylbis(azanylylidene)bis(methanylylidene)]diphenolato}nickel(II)","Acta Crystallographica Section E","2013","69","7","m399","","10.1107/S1600536813016188","","","0.71073","MoKα","","0.029","0.0253","","","0.0706","0.0729","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238300","9.2834","0.0003","6.7081","0.0002","16.8068","0.0006","90","","90","","90","","1046.63","0.06","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","2-Oxo-2<i>H</i>-chromen-4-yl propionic acid","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","0.5","ZQ2203","Bibila Mayaya Bisseyou, Yvon; Abou, Akoun; Djandé, Abdoulaye; Danger, Grégoire; Kakou-Yao, Rita","2-Oxo-2<i>H</i>-chromen-4-yl propionate","Acta Crystallographica Section E","2013","69","7","o1125","o1126","10.1107/S1600536813016358","","","0.71073","MoKα","","0.0718","0.0561","","","0.1333","0.1459","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238315","10.5672","0.0009","6.6323","0.0008","6.9621","0.0008","90","","90","","90","","487.94","0.09","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium sodium dioxidomolybdenum(VI) arsenate","","- As K0.78 Mo Na0.22 O6 -","- As K0.78 Mo Na0.22 O6 -","- As4 K3.12 Mo4 Na0.88 O24 -","4","0.5","BR2228","Jouini, Raja; Bouzidi, Chahira; Zid, Mohamed Faouzi; Driss, Ahmed","K~0.78~Na~0.22~MoO~2~AsO~4~","Acta Crystallographica Section E","2013","69","8","i47","","10.1107/S1600536813018540","","","0.71073","MoKα","","0.0254","0.0246","","","0.0667","0.067","","","","","","1.17","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238431","22.7875","0.0012","23.6254","0.0012","8.5593","0.0005","90","","90","","90","","4608","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Diammonium tetrakis(isothiocyanato)zincate‒1,4,10,13,16-hexaoxacyclooctadecane‒water (1/2/1)","","- C28 H58 N6 O13 S4 Zn -","- C28 H58 N6 O13 S4 Zn -","- C112 H232 N24 O52 S16 Zn4 -","4","0.5","SU2617","Showrilu, K.; Rajarajan, K.; NizamMohideen, M.","Diammonium tetrakis(isothiocyanato)zincate‒1,4,10,13,16-hexaoxacyclooctadecane‒water (1/2/1)","Acta Crystallographica Section E","2013","69","8","m469","m470","10.1107/S1600536813019739","","","0.71073","MoKα","","0.119","0.0518","","","0.1348","0.1749","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238446","8.9075","0.0007","7.3903","0.0006","15.3253","0.0012","90","","90","","90","","1008.85","0.14","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Trichlorido(1,3-dimethyl-2,3-dihydro-1<i>H</i>-imidazol-2-ylidene-κ<i>C</i>^2^)aluminium(III)","","- C5 H8 Al Cl3 N2 -","- C5 H8 Al Cl3 N2 -","- C20 H32 Al4 Cl12 N8 -","4","0.5","WM2754","Tian, Chong; Gao, Xiaofei; Chen, Qiao; Nie, Wanli; Borzov, Maxim V.","Trichlorido(1,3-dimethyl-2,3-dihydro-1<i>H</i>-imidazol-2-ylidene-κ<i>C</i>^2^)aluminium(III)","Acta Crystallographica Section E","2013","69","8","m441","m442","10.1107/S1600536813018254","","","0.71073","MoKα","","0.0361","0.0328","","","0.0844","0.0866","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238465","13.98","0.003","21.808","0.004","9.8492","0.0016","90","","90","","90","","3002.8","1","173","","173","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Trichlorido{methyl[4-(methylimino)pent-2-en-2-yl]azanido-κ^2^<i>N</i>,<i>N</i>'}hafnium(IV)","","- C29 H41 Cl3 Hf N2 -","- C29 H41 Cl3 Hf N2 -","- C116 H164 Cl12 Hf4 N8 -","4","0.5","BH2479","Ikeda, Ken; Masuda, Hideki","Trichlorido{methyl[4-(methylimino)pent-2-en-2-yl]azanido-κ^2^<i>N</i>,<i>N</i>'}hafnium(IV)","Acta Crystallographica Section E","2013","69","9","m505","","10.1107/S1600536813022745","","","0.7107","MoKα","","","0.0285","","","","0.0684","","","","","","1.095","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238630","12.8969","0.001","28.001","0.002","4.533","0.0004","90","","90","","90","","1637","0.2","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","<i>N</i>,<i>N</i>'-(2-Hydroxypropane-1,3-diyl)bis(2-hydroxybenzamide) monohydrate","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C68 H80 N8 O24 -","4","0.5","HB7142","Yebedri, Sihem; Louhibi, Samira; Bouacida, Sofiane; Ourari, Ali; Roisnel, Thierry","<i>N</i>,<i>N</i>'-(2-Hydroxypropane-1,3-diyl)bis(2-hydroxybenzamide) monohydrate","Acta Crystallographica Section E","2013","69","10","o1591","","10.1107/S1600536813026184","","","0.71073","MoKα","","0.0906","0.0478","","","0.1058","0.1231","","","","","","1.038","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238693","8.926","0.004","12.767","0.006","9.196","0.004","90","","90","","90","","1048","0.8","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Poly[tetramethylammonium [tri-μ~2~-formato-κ^6^<i>O</i>:<i>O</i>'-manganate(II)]]","","- C7 H15 Mn N O6 -","- C7 H15 Mn N O6 -","- C28 H60 Mn4 N4 O24 -","4","0.5","ZS2272","Han, Cai-Yun; Liu, Min-Min; Dang, Qin-Qin","Poly[tetramethylammonium [tri-μ~2~-formato-κ^6^<i>O</i>:<i>O</i>'-manganate(II)]]","Acta Crystallographica Section E","2013","69","10","m541","","10.1107/S1600536813024045","","","0.71073","MoKα","","0.0317","0.0265","","","0.0691","0.0747","","","","","","0.981","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238716","16.0285","0.0011","4.3862","0.0004","14.3684","0.001","90","","90","","90","","1010.16","0.14","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Thulium nickel/lithium distannide","","- Li0.035 Ni0.965 Sn2 Tm -","- Li0.035 Ni0.965 Sn2 Tm -","- Li0.42 Ni11.58 Sn24 Tm12 -","12","1.5","FF2120","Stetskiv, Andrij; Tarasiuk, Ivan; Misztal, Renata; Pavlyuk, Volodymyr","Thulium nickel/lithium distannide, TmNi~1{-~<i>x</i>}Li~<i>x~</i>Sn~2~ (<i>x</i> = 0.035)","Acta Crystallographica Section E","2013","69","11","i76","","10.1107/S1600536813027335","","","0.71073","MoKα","","0.0381","0.0264","","","0.0522","0.0598","","","","","","1.184","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238770","11.1585","0.0017","6.55","0.001","5.233","0.0008","90","","90","","90","","382.47","0.1","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sodium cadmium orthoarsenate","","- As Cd Na O4 -","- As Cd Na O4 -","- As4 Cd4 Na4 O16 -","4","0.5","PJ2006","Weil, Matthias","Olivine-type NaCd(AsO~4~)","Acta Crystallographica Section E","2013","69","11","i75","","10.1107/S1600536813027256","","","0.71073","MoKα","","0.0189","0.0166","","","0.0413","0.0425","","","","","","1.097","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238817","6.863","0.003","9.553","0.003","6.302","0.002","90","","90","","90","","413.2","0.3","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","Tridysprosium nickel","","- Dy3 Ni -","- Dy3 Ni -","- Dy12 Ni4 -","4","0.5","WM2777","Levytskyy, Volodymyr; Babizhetskyy, Volodymyr; Kotur, Bohdan; Smetana, Volodymyr","Redetermination of Dy~3~Ni from single-crystal X-ray data","Acta Crystallographica Section E","2013","69","11","i80","","10.1107/S1600536813028717","","","0.71073","MoKα","","0.0697","0.0417","","","0.0485","0.052","","","","","","1.12","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238902","13.1252","0.0019","17.281","0.003","6.4777","0.0009","90","","90","","90","","1469.2","0.4","103","2","103","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>catena</i>-Poly[[tetra-μ-formato-κ^8^<i>O</i>:<i>O</i>'-dicopper(II)]-μ-hexamethylenetetramine-κ^2^<i>N</i>^1^:<i>N</i>^5^]","","- C10 H16 Cu2 N4 O8 -","- C10 H16 Cu2 N4 O8 -","- C40 H64 Cu8 N16 O32 -","4","0.5","NG5345","Cao, Jianfang; Huang, Ziping; Cao, Changnian; Cheng, Chunchun; Sun, Chunyan","<i>catena</i>-Poly[[tetra-μ-formato-κ^8^<i>O</i>:<i>O</i>'-dicopper(II)]-μ-hexamethylenetetramine-κ^2^<i>N</i>^1^:<i>N</i>^5^]","Acta Crystallographica Section E","2013","69","12","m690","","10.1107/S160053681303184X","","","0.71073","MoKα","","0.0333","0.0282","","","","0.0766","","","1.042","","","1.042","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238996","10.133","0.0011","27.318","0.003","5.5402","0.0006","90","","90","","90","","1533.6","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,6-Bis(4-methoxyphenyl)-1,4-dithiine","","- C18 H16 O2 S2 -","- C18 H16 O2 S2 -","- C72 H64 O8 S8 -","4","0.5","","Zhao, Sha-Sha; Su, Qiong; Peng, Zhi-Hong; An, De-Lie","2,6-Bis(4-methoxyphenyl)-1,4-dithiine","Acta Crystallographica Section E","2014","70","2","o137","","10.1107/S1600536814000397","","","0.71073","MoKα","","0.0488","0.0378","","","0.0967","0.1015","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239107","9.4295","0.0002","9.2755","0.0002","10.0972","0.0002","90","","90","","90","","883.13","0.03","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dilithium manganese(II) <i>catena</i>-tetrakis(polyphosphate)","","- Li2 Mn O12 P4 -","- Li2 Mn O12 P4 -","- Li8 Mn4 O48 P16 -","4","0.5","BR2233","Moutataouia, Meryem; Lamire, Mohammed; Saadi, Mohamed; El Ammari, Lahcen","Dilithium manganese(II) <i>catena</i>-tetrakis(polyphosphate), Li~2~Mn(PO~3~)~4~","Acta Crystallographica Section E","2014","70","1","i1","","10.1107/S1600536813032388","","","0.71073","MoKα","","0.0206","0.0181","","","0.0501","0.051","","","","","","1.093","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239179","6.8924","0.0003","8.757","0.0004","6.0758","0.0002","90","","90","","90","","366.72","0.03","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Nickel(II) uranium(IV) trisulfide","","- Ni S3 U -","- Ni S3 U -","- Ni4 S12 U4 -","4","0.5","","Ward, Matthew D.; Ibers, James A.","Nickel(II) uranium(IV) trisulfide","Acta Crystallographica Section E","2014","70","1","i4","","10.1107/S1600536813033680","","","0.71073","MoKα","","0.0187","0.0181","","","0.0427","0.0429","","","","","","1.356","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239187","11.5763","0.0003","11.3417","0.0003","9.316","0.0002","90","","90","","90","","1223.14","0.05","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","<i>catena</i>-Poly[[di-<i>tert</i>-butyltin(IV)]-μ-oxalato]","","- C10 H18 O4 Sn -","- C10 H18 O4 Sn -","- C40 H72 O16 Sn4 -","4","0.5","CQ2010","Reichelt, Martin; Reuter, Hans","<i>catena</i>-Poly[[di-<i>tert</i>-butyltin(IV)]-μ-oxalato]","Acta Crystallographica Section E","2014","70","4","m133","","10.1107/S160053681400539X","","","0.71073","MoKα","","0.0178","0.0154","","","0.0366","0.0375","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239502","8.776","0.0005","6.8989","0.0004","14.3518","0.0008","90","","90","","90","","868.93","0.09","90","0.2","90","0.2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2,4-Dichloro-1-iodo-6-nitrobenzene","","- C6 H2 Cl2 I N O2 -","- C6 H2 Cl2 I N O2 -","- C24 H8 Cl8 I4 N4 O8 -","4","0.5","LH5698","Li, Xueshu; Parkin, Sean; Lehmler, Hans-Joachim","2,4-Dichloro-1-iodo-6-nitrobenzene","Acta Crystallographica Section E","2014","70","5","o607","","10.1107/S1600536814008733","","","1.54178","CuKα","","0.0376","0.0368","","","0.0962","0.0983","","","","","","1.121","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239589","8.2629","0.0005","33.093","0.003","10.0877","0.0006","90","","90","","90","","2758.4","0.3","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3-Bis(3-<i>tert</i>-butyl-2-hydroxy-5-methoxybenzyl)hexahydropyrimidin-5-ol monohydrate","","- C28 H44 N2 O6 -","- C28 H44 N2 O6 -","- C112 H176 N8 O24 -","4","0.5","","Rivera, Augusto; Miranda-Carvajal, Ingrid; Osorio, Héctor Jairo; Ríos-Motta, Jaime; Bolte, Michael","1,3-Bis(3-<i>tert</i>-butyl-2-hydroxy-5-methoxybenzyl)hexahydropyrimidin-5-ol monohydrate","Acta Crystallographica Section E","2014","70","6","o687","o688","10.1107/S1600536814010769","","","0.71073","MoKα","","0.0806","0.0748","","","0.1374","0.1403","","","","","","1.173","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239654","14.9112","0.001","6.1225","0.0003","9.1635","0.0004","90","","90","","90","","836.57","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Dimanganese vanadate hydroxide","Dimanganese(II) hydroxide vanadate","","- H Mn2 O5 V -","- H Mn2 O5 V -","- H8 Mn16 O40 V8 -","8","1","","Sun, Kewen; Möller, Angela","Dimanganese(II) hydroxide vanadate, Mn~2~(OH)[VO~4~]","Acta Crystallographica Section E","2014","70","7","i33","","10.1107/S1600536814012926","","","0.71075","MoKα","","0.0494","0.0449","","","0.0613","0.0621","","","","","","1.356","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239804","15.3319","0.0014","18.3248","0.0016","12.9564","0.0012","90","","90","","90","","3640.2","0.6","223","","223","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(3-Methylbenzonitrile-1κ<i>N</i>)-<i>cis</i>-tetrakis(μ-<i>N</i>-phenylacetamidato)-1:2κ^4^<i>N</i>:<i>O</i>;1:2κ^4^<i>O</i>:<i>N</i>-dirhodium(II)(<i>Rh</i>—<i>Rh</i>)","","- C40 H39 N5 O4 Rh2 -","- C40 H39 N5 O4 Rh2 -","- C160 H156 N20 O16 Rh8 -","4","0.5","","Eagle, Cassandra T.; Quarshie, Fredricka; Cook, Kevin M.","(3-Methylbenzonitrile-1κ<i>N</i>)-<i>cis</i>-tetrakis(μ-<i>N</i>-phenylacetamidato)-1:2κ^4^<i>N</i>:<i>O</i>;1:2κ^4^<i>O</i>:<i>N</i>-dirhodium(II)(<i>Rh</i>—<i>Rh</i>)","Acta Crystallographica Section E","2014","70","8","m304","","10.1107/S1600536814016031","","","0.71075","MoKα","","0.0675","0.042","","","0.0811","0.0893","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240266","7.5748","0.0015","4.4774","0.0009","8.6383","0.0017","90","","90","","90","","292.97","0.1","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Strontium cadmium platinum","","- Cd Pt Sr -","- Cd Pt Sr -","- Cd4 Pt4 Sr4 -","4","0.5","WM5093","Gulo, Fakhili; Köhler, Jürgen","Crystal structure of the intermetallic compound SrCdPt","Acta Crystallographica Section E","2014","70","12","590","592","10.1107/S1600536814025823","","","0.71073","MoKα","","0.0367","0.0304","","","0.0644","0.0658","","","","","","1.068","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240334","15.152","0.013","13.704","0.012","8.014","0.007","90","","90","","90","","1664","3","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>fac</i>-trichlorido[tris(pyridin-2-yl-<i>N</i>)amine]chromium(III)","","- C15 H12 Cl3 Cr N4 -","- C15 H12 Cl3 Cr N4 -","- C60 H48 Cl12 Cr4 N16 -","4","0.5","WM5095","Yamaguchi-Terasaki, Yukiko; Fujihara, Takashi; Nagasawa, Akira; Kaizaki, Sumio","Crystal structure of <i>fac</i>-trichlorido[tris(pyridin-2-yl-<i>N</i>)amine]chromium(III)","Acta Crystallographica Section E","2015","71","1","73","75","10.1107/S2056989014027066","","","0.71073","MoKα","","0.0525","0.0377","","","0.1001","0.1126","","","","","","1.203","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240693","5.1358","0.0007","10.5687","0.0009","17.606","0.002","90","","90","","90","","955.63","0.19","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Sodium lithium iron(III) trimolybdate","","- Fe Li2.6 Mo3 Na0.4 O12 -","- Fe Li2.6 Mo3 Na0.4 O12 -","- Fe4 Li10.4 Mo12 Na1.6 O48 -","4","0.5","HB7397","Souilem, Amira; Zid, Mohamed Faouzi; Driss, Ahmed","Synthèse et étude structrale de lyonsite-type (Na~0,4~,Li~0,6~)(Fe,Li~2~)(MoO~4~)~3~","Acta Crystallographica Section E","2015","71","6","597","601","10.1107/S2056989015008737","","","0.71073","MoKα","","0.0259","0.0227","","","0.0554","0.0563","","","","","","1.156","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2240753","22.342","0.005","8.881","0.002","4.8462","0.0012","90","","90","","90","","961.6","0.4","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>p</i>-Toluenesulfonylmethyl isocyanide","","- C9 H9 N O2 S -","- C9 H9 N O2 S -","- C36 H36 N4 O8 S4 -","4","0.5","RZ5158","Bano, Huma; Yousuf, Sammer","Crystal structure of <i>p</i>-toluenesulfonylmethyl isocyanide","Acta Crystallographica Section E","2015","71","6","o412","","10.1107/S2056989015008816","","","0.71073","MoKα","","0.0642","0.0471","","","0.1092","0.1188","","","","","","1.113","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241316","10.685","0.002","18.236","0.004","13.228","0.003","90","","90","","90","","2577.5","0.9","248","2","248","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Nitridobis(trimethylsilanolato)[1,1,1-trimethyl-<i>N</i>-(trimethylsilyl)silanaminato]molybdenum(VI)","","- C12 H36 Mo N2 O2 Si4 -","- C12 H36 Mo N2 O2 Si4 -","- C48 H144 Mo4 N8 O8 Si16 -","4","0.5","XU5878","Geng, Caiwei; Hao, Xiang; Jiao, Peng","Crystal structure of nitridobis(trimethylsilanolato)[1,1,1-trimethyl-<i>N</i>-(trimethylsilyl)silanaminato]molybdenum(VI)","Acta Crystallographica Section E","2015","71","12","1497","1500","10.1107/S2056989015021192","","","0.71073","MoKα","","0.0727","0.0679","","","0.1914","0.1952","","","","","","1.188","","","","has coordinates,has Fobs","170328","2020-10-21","18:00:00",""
"2241427","8.7477","0.001","13.488","0.002","20.336","0.003","90","","90","","90","","2399.4","0.6","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","<i>catena</i>-Poly[bis(piperazine-1,4-diium) [[tetraiodidoplumbate(II)]-μ-iodido] iodide monohydrate]","","- C8 H26 I6 N4 O Pb -","- C8 H26 I6 N4 O Pb -","- C32 H104 I24 N16 O4 Pb4 -","4","0.5","VN2104","Mokhnache, Oualid; Boughzala, Habib","Crystal structure of a new hybrid compound based on an iodidoplumbate(II) anionic motif","Acta Crystallographica Section E","2016","72","1","56","59","10.1107/S2056989015023786","","","0.71073","MoKα","","0.0663","0.0372","","","0.0775","0.0862","","","","","","1.05","","","","has coordinates,has Fobs","176637","2020-10-21","18:00:00",""
"2241432","7.0138","0.0003","10.6077","0.0004","6.6021","0.0002","90","","90","","90","","491.2","0.03","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Poly[(μ~3~-formato)(μ~4~-oxalato)terbium(III)]","","- C3 H O6 Tb -","- C3 H O6 Tb -","- C12 H4 O24 Tb4 -","4","0.5","ZS2356","Kittipong, Chainok; Khemthong, Phailyn; Kielar, Filip; Zhou, Yan","Crystal structure of a mixed-ligand terbium(III) coordination polymer containing oxalate and formate ligands, having a three-dimensional fcu topology","Acta Crystallographica Section E","2016","72","1","87","91","10.1107/S205698901502397X","","","0.71073","MoKα","","0.0147","0.0119","","","0.0241","0.0247","","","","","","1.097","","","","has coordinates,has Fobs","176643","2020-10-21","18:00:00",""
"2241463","13.6183","0.0013","10.2147","0.001","12.4754","0.0012","90","","90","","90","","1735.4","0.3","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,4,6-Tribromobenzonitrile - polytype II","","- C7 H2 Br3 N -","- C7 H2 Br3 N -","- C56 H16 Br24 N8 -","8","1","LH5796","Britton, Doyle; Noland, Wayland E.; Tritch, Kenneth J.","Two new polytypes of 2,4,6-tribromobenzonitrile","Acta Crystallographica Section E","2016","72","2","178","183","10.1107/S2056989016000256","","","0.71073","MoKα","","0.0421","0.0283","","","0.0589","0.0628","","","","","","1.02","","","","has coordinates,has Fobs","174447","2020-10-21","18:00:00",""
"2241464","20.399","0.004","10.2167","0.0018","12.493","0.002","90","","90","","90","","2603.7","0.8","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,4,6-Tribromobenzonitrile - polytype III","","- C7 H2 Br3 N -","- C7 H2 Br3 N -","- C84 H24 Br36 N12 -","12","1.5","LH5796","Britton, Doyle; Noland, Wayland E.; Tritch, Kenneth J.","Two new polytypes of 2,4,6-tribromobenzonitrile","Acta Crystallographica Section E","2016","72","2","178","183","10.1107/S2056989016000256","","","0.71073","MoKα","","0.0362","0.023","","","0.0428","0.046","","","","","","1.066","","","","has coordinates,has Fobs","174447","2020-10-21","18:00:00",""
"2241465","13.5916","0.0018","10.1464","0.0013","12.6158","0.0016","90","","90","","90","","1739.8","0.4","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3,5-Tribromo-2-isocyanobenzene - polytype II","","- C7 H2 Br3 N -","- C7 H2 Br3 N -","- C56 H16 Br24 N8 -","8","1","LH5796","Britton, Doyle; Noland, Wayland E.; Tritch, Kenneth J.","Two new polytypes of 2,4,6-tribromobenzonitrile","Acta Crystallographica Section E","2016","72","2","178","183","10.1107/S2056989016000256","","","0.71073","MoKα","","0.0423","0.0254","","","0.0507","0.0554","","","","","","1.057","","","","has coordinates,has Fobs","174447","2020-10-21","18:00:00",""
"2241602","14.1402","0.0011","6.2297","0.0005","7.4571","0.0006","90","","90","","90","","656.89","0.09","110","","110","","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-Methyl-1<i>H</i>-imidazol-3-ium nitrate","","- C4 H7 N3 O3 -","- C4 H7 N3 O3 -","- C16 H28 N12 O12 -","4","0.5","WM5276","Diop, Mouhamadou Birame; Diop, Libasse; Maris, Thierry","Crystal structures of the two salts 2-methyl-1<i>H</i>-imidazol-3-ium nitrate‒2-methyl-1<i>H</i>-imidazole (1/1) and 2-methyl-1<i>H</i>-imidazol-3-ium nitrate","Acta Crystallographica Section E","2016","72","4","482","485","10.1107/S2056989016003789","","","1.34139","GaKα","","0.0515","0.0491","","","0.1426","0.1459","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","178119","2020-10-21","18:00:00",""
"2241741","8.4039","0.0009","7.5206","0.0007","14.1667","0.0015","90","","90","","90","","895.37","0.16","300","2","300","2","","","","","","","","5","P n m a","-P 2ac 2n","62","C6H8N2ZnCl2","(Benzene-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')dichloroidozinc","","- C6 H8 Cl2 N2 Zn -","- C6 H8 Cl2 N2 Zn -","- C24 H32 Cl8 N8 Zn4 -","4","0.5","LH5817","Zick, Patricia L.; Geiger, David K.","Structural characterization of two benzene-1,2-diamine complexes of zinc chloride: a molecular compound and a co-crystal salt","Acta Crystallographica Section E","2016","72","7","1037","1042","10.1107/S2056989016010033","","","0.71073","MoKa","","0.0229","0.0198","","","0.0493","0.0507","","","","","","1.091","","","","has coordinates,has Fobs","183940","2020-10-21","18:00:00",""
"2241743","8.4152","0.0012","7.5141","0.0009","14.199","0.002","90","","90","","90","","897.8","0.2","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","PLZ09092015LT","(Benzene-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')dichloroidozinc","","- C6 H8 Cl2 N2 Zn -","- C6 H8 Cl2 N2 Zn -","- C24 H32 Cl8 N8 Zn4 -","4","0.5","LH5817","Zick, Patricia L.; Geiger, David K.","Structural characterization of two benzene-1,2-diamine complexes of zinc chloride: a molecular compound and a co-crystal salt","Acta Crystallographica Section E","2016","72","7","1037","1042","10.1107/S2056989016010033","","","0.71073","MoKα","","0.0291","0.0267","","","0.0724","0.0736","","","","","","1.156","","","","has coordinates,has Fobs","183940","2020-10-21","18:00:00",""
"2241899","17.161","0.003","7.2169","0.0014","11.678","0.002","90","","90","","90","","1446.3","0.5","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","9-(Dibromomethyl)-1,1-difluoro-3,7-dimethyl-1<i>H</i>-[1,3,5,2]oxadiazaborinino[3,4-<i>a</i>][1,8]naphthyridin-11-ium-1-uide","","- C12 H10 B Br2 F2 N3 O -","- C12 H10 B Br2 F2 N3 O -","- C48 H40 B4 Br8 F8 N12 O4 -","4","0.5","WM5325","Wang, Bang Zhong; Zhou, Jun Ping; Zhou, Yong; Luo, Jian Song; Chi, Shao Ming","Crystal structure of 9-(dibromomethyl)-1,1-difluoro-3,7-dimethyl-1<i>H</i>-[1,3,5,2]oxadiazaborinino[3,4-<i>a</i>][1,8]naphthyridin-11-ium-1-uide","Acta Crystallographica Section E","2016","72","11","1642","1644","10.1107/S2056989016016704","","","0.71073","MoKα","","0.122","0.0535","","","0.0985","0.1196","","","","","","0.954","","","","has coordinates,has Fobs","187564","2020-10-21","18:00:00",""
"2241999","8.1468","0.0005","20.3402","0.0011","12.0155","0.0007","90","","90","","90","","1991.1","0.2","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","22,24,25-Trimethyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18-hexaen-23-one","","- C24 H29 N O4 -","- C24 H29 N O4 -","- C96 H116 N4 O16 -","4","0.5","XU5896","Nguyen, Van Tuyen; Truong, Hong Hieu; Le, Tuan Anh; Soldatenkov, Anatoly T.; Thi, Tuyet Anh Dang; Tran, Thi Thanh Van; Esina, Natalia Ya.; Khrustalev, Victor N.","Crystal structure of 22,24,25-trimethyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18-hexaen-23-one","Acta Crystallographica Section E","2017","73","2","118","121","10.1107/S2056989016020508","","","0.71073","MoKα","","0.076","0.0561","","","0.1197","0.1298","","","","","","1.018","","","","has coordinates,has Fobs","189996","2020-10-21","18:00:00",""
"2242025","7.3957","0.0007","4.0932","0.0006","18.1873","0.0017","90","","90","","90","","550.57","0.11","123","2","123.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","Rubidium peroxide ammonia disolvate","Rubidium peroxide ammonia disolvate","","- H6 N2 O2 Rb2 -","- H6 N2 O2 Rb2 -","- H24 N8 O8 Rb8 -","4","0.5","PJ2039","Grassl, Tobias; Korber, Nikolaus","Crystal structure of rubidium peroxide ammonia disolvate","Acta Crystallographica Section E","2017","73","2","200","202","10.1107/S2056989017000354","","","0.71073","MoKα","","0.0565","0.0499","","","0.1167","0.1183","","","","","","1.346","","","","has coordinates,has Fobs","190794","2020-10-21","18:00:00",""
"2242206","12.8058","0.0006","11.485","0.0006","6.9058","0.0003","90","","90","","90","","1015.67","0.08","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3,7-Diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane]-2,4,6,8-tetraone","","- C11 H12 N2 O4 -","- C11 H12 N2 O4 -","- C44 H48 N8 O16 -","4","0.5","LD2140","Vatsadze, Sergey Z.; Manaenkova, Marina A.; Vasilev, Evgeny V.; Venskovsky, Nikolai U.; Khrustalev, Victor N.","Crystal structures and supramolecular features of 9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone, 3,7-diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane]-2,4,6,8-tetraone and 9-methyl-9-phenyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone dimethylformamide monosolvate","Acta Crystallographica Section E","2017","73","7","1097","1101","10.1107/S2056989017009458","","","0.71073","MoKα","","0.0539","0.0425","","","0.1114","0.1185","","","","","","1.026","","","","has coordinates,has Fobs","199173","2020-10-21","18:00:00",""
"2242565","10.1206","0.0005","6.6219","0.0004","16.3658","0.0008","90","","90","","90","","1096.8","0.1","223","2","223","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Dimethyl 5-ethynylisophthalate","1,3-Dimethyl 1-ethynylcyclohexa-3,5-diene-1,3-dicarboxylate","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","0.5","ZL2732","Hauptvogel, Ines; Seichter, Wilhelm; Weber, Edwin","Crystal structures of dimethyl 5-iodoisophthalate and dimethyl 5-ethynylisophthalate","Acta Crystallographica Section E","2018","74","8","1093","1096","10.1107/S205698901800912X","","","0.71073","MoKα","","0.0608","0.0385","","","0.0947","0.1096","","","","","","1.029","","","","has coordinates,has Fobs","209030","2020-10-21","18:00:00",""
"2242692","12.3811","0.0004","14.0483","0.0005","10.6443","0.0003","90","","90","","90","","1851.4","0.1","301","","301","","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>trans</i>-Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(3-hydroxypyridine-κ<i>N</i>)(nitro)cobalt(III) monohydrate","","- C15 H21 Co N2 O8 -","- C15 H21 Co N2 O8 -","- C60 H84 Co4 N8 O32 -","4","0.5","","Ohba, Shigeru; Tsuchimoto, Masanobu; Miyazaki, Hiroki","Investigation of nitro‒nitrito photoisomerization: crystal structures of <i>trans</i>-bis(acetylacetonato-<i>O</i>,<i>O</i>')(pyridine/4-methylpyridine/3-hydroxypridine)nitrocobalt(III)","Acta Crystallographica Section E","2018","74","11","1637","1642","10.1107/S2056989018014731","","","0.71073","MoKα","","0.049","0.0318","","","0.0656","0.0874","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","211632","2020-10-21","18:00:00",""
"2242811","9.5959","0.0003","9.6218","0.0003","5.6735","0.0002","90","","90","","90","","523.83","0.03","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Lithium zirconium octafluoride","Tetralithium octafluoridozirconate(IV)","","- F8 Li4 Zr -","- F8 Li4 Zr -","- F32 Li16 Zr4 -","4","0.5","WM5477","Chemey, Alexander T.; Albrecht-Schmitt, Thomas E.","Redetermination of the crystal structure of tetralithium octafluoridozirconate(IV), Li~4~ZrF~8~, from single-crystal X-ray data","Acta Crystallographica Section E","2019","75","2","139","141","10.1107/S2056989018018194","","","0.71073","MoKα","","0.0392","0.0289","","","0.0688","0.0733","","","","","","1.114","","","","has coordinates,has disorder,has Fobs","213108","2020-10-21","18:00:00",""
"2243257","8.0634","0.0001","7.7088","0.0001","16.441","0.0003","90","","90","","90","","1021.96","0.03","300","0.1","300","","","","","","","","","6","P n m a","-P 2ac 2n","62","","2-Iodo-4-(pentafluoro-λ^6^-sulfanyl)benzonitrile","","- C7 H3 F5 I N S -","- C7 H3 F5 I N S -","- C28 H12 F20 I4 N4 S4 -","4","0.5","DX2019","González Espiet, Jean C.; Cintrón Cruz, Juan A.; Piñero Cruz, Dalice M.","Structural characterization and Hirshfeld surface analysis of 2-iodo-4-(pentafluoro-λ^6^-sulfanyl)benzonitrile","Acta Crystallographica Section E","2020","76","2","231","234","10.1107/S2056989020000365","","","1.54184","CuKα","","0.0435","0.0417","","","0.1098","0.1114","","","","","","1.033","","","","has coordinates,has Fobs","247004","2020-10-21","18:00:00",""
"2243272","14.47237","0.00014","17.4657","0.0002","6.73933","0.00007","90","","90","","90","","1703.5","0.03","100","2","100.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3-Di-<i>tert</i>-butyl-2-[(trimethylsilyl)oxy]benzene","","- C17 H30 O Si -","- C17 H30 O Si -","- C68 H120 O4 Si4 -","4","0.5","","Marszaukowski, Flavia; Wohnrath, Karen; Boeré, René T.","Bulky 2,6-disubstituted aryl siloxanes and a disilanamine","Acta Crystallographica Section E","2020","76","3","318","323","10.1107/S2056989020001413","","x-ray","1.54184","CuKα","","0.0354","0.0333","","","0.0915","0.0929","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","247946","2020-10-21","18:00:00",""
"2243611","12.9858","0.0003","5.2162","0.0001","6.6804","0.0002","90","","90","","90","","452.507","0.019","300","2","300","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","barium zinc copper","","- Ba Cu2.6 Zn2.4 -","- Ba Cu2.6 Zn2.4 -","- Ba4 Cu10.4 Zn9.6 -","4","0.5","VN2152","Simura, Rayko; Yamane, Hisanori","α-SrZn~5~-Type solid solution, BaZn~2.6~Cu~2.4~","Acta Crystallographica Section E","2019","75","10","1490","1493","10.1107/S2056989019012532","","","0.71073","MoKα","","0.0207","0.0173","","","0.0309","0.0322","","","","","","1.173","","","","has coordinates,has Fobs","256853","2020-10-21","18:00:00",""
"2243724","20.2495","0.0009","6.8046","0.0005","13.4969","0.0005","90","","90","","90","","1859.73","0.17","109.7","0.5","109.7","0.5","","","","","","","","5","P n m a","-P 2ac 2n","62","Bis(difluoroboron)bis(pyrrol-2-yl)methylenediaminophenylene","(μ-<i>N</i>-[(3,5-Dimethyl-1<i>H</i>-pyrrol-2-yl)methylidene]<i>N</i>-{{4-[(3,5-dimethyl-1<i>H</i>-pyrrol-2-yl)methylideneazaniumyl]phenyl}azanium)bis[difluoridoboron(IV)]","","- C20 H20 B2 F4 N4 -","- C20 H20 B2 F4 N4 -","- C80 H80 B8 F16 N16 -","4","0.5","EX2040","Liu, Xiaoxue; Li, Tuo; Yin, Zhenming","Crystal structure and fluorescence study of (μ-<i>N</i>-[(3,5-dimethyl-1<i>H</i>-pyrrol-2-yl)methylidene]-<i>N</i>-{4-[(3,5-dimethyl-1<i>H</i>-pyrrol-2-yl)methylideneazaniumyl]phenyl}azanium)bis[difluoridoboron(IV)]","Acta Crystallographica Section E","2021","77","2","126","129","10.1107/S2056989021000463","","x-ray","1.54184","CuKα","","0.0665","0.0476","","","0.1163","0.1259","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","260999","2021-01-16","05:41:34",""
"2243829","19.7361","0.0003","5.8779","0.0001","10.5749","0.0001","90","","90","","90","","1226.76","0.03","80","2","80.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba5 I2 O12 -","- Ba5 I2 O12 -","- Ba20 I8 O48 -","4","0.5","","Bi, David Wenhua; Baral, Priya Ranjan; Magrez, Arnaud","Ba~5~(IO~6~)~2~: crystal structure evolution from room temperature to 80K","Acta Crystallographica Section E","2021","77","6","634","637","10.1107/S2056989021004990","","","0.71073","MoKα","","0.0232","0.022","","","0.0426","0.043","","","","","","1.247","","","","has coordinates,has Fobs","265245","2021-05-15","04:49:26",""
"2243830","19.7568","0.0002","5.9003","0.0001","10.5869","0.0001","90","","90","","90","","1234.13","0.03","298","2","298.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pentabarium bis(orthoperiodate)","","- Ba5 I2 O12 -","- Ba5 I2 O12 -","- Ba20 I8 O48 -","4","0.5","RU2075","Bi, David Wenhua; Baral, Priya Ranjan; Magrez, Arnaud","Ba~5~(IO~6~)~2~: crystal structure evolution from room temperature to 80K","Acta Crystallographica Section E","2021","77","6","634","637","10.1107/S2056989021004990","","","0.71073","MoKα","","0.0224","0.0207","","","0.0449","0.0456","","","","","","1.162","","","","has coordinates,has Fobs","265245","2021-05-15","04:49:26",""
"2243903","14.9122","0.001","17.641","0.0009","4.9878","0.0003","90","","90","","90","","1312.12","0.14","170","","170","","","","","","","","","4","P n m a","-P 2ac 2n","62","","4-Chloro-1<i>H</i>-pyrazole","","- C3 H3 Cl N2 -","- C3 H3 Cl N2 -","- C36 H36 Cl12 N24 -","12","1.5","ZL5013","Rue, Kelly; Raptis, Raphael G.","Low-temperature crystal structure of 4-chloro-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2021","77","9","1","0","10.1107/S2056989021008604","","","0.71073","MoKα","","0.0427","0.0327","","","0.0835","0.0919","","","","","","1.062","","","","has coordinates,has Fobs","268200","2021-08-25","02:10:06",""
"2243955","11.488","0.0004","6.4726","0.0003","15.2012","0.0005","90","","90","","90","","1130.32","0.08","170","","170","","","","","","","","","4","P n m a","-P 2ac 2n","62","3-[(3-Carboxyphenylamino)methylidene]pentane-2,4-dione","3-[(2-Acetyl-3-oxobut-1-en-1-yl)amino]benzoic acid","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","0.5","","Halz, Jan Henrik; Hentsch, Andreas; Wagner, Christoph; Merzweiler, Kurt","Synthesis and crystal structures of three Schiff bases derived from 3-formylacetylacetone and <i>o</i>-, <i>m</i>- and <i>p</i>-aminobenzoic acid","Acta Crystallographica Section E","2022","78","1","","","10.1107/S2056989021013050","","","0.71073","MoKα","","0.0546","0.044","","","0.1169","0.1277","","","","","","1.083","","","","has coordinates,has Fobs","271493","2021-12-17","02:59:24",""
"2300001","18.9289","0.0006","21.8872","0.0006","4.8842","0.0002","90","","90","","90","","2023.53","0.12","295","","295","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tris(4-bromophenyl)boroxine","","- C18 H12 B3 Br3 O3 -","- C18 B3 Br3 O3 -","- C72 B12 Br12 O12 -","4","0.5","","Nattamai S. P. Bhuvanesh; Joseph H. Reibenspies; Peter L. Lee; Yuegang Zhang","A novel strategy for <i>ab initio</i> structure determination using micro-powder X-ray diffraction: structure solution and refinement of 3-bromophenylboronic acid and tris(4-bromophenyl)boroxine","Journal of Applied Crystallography","2005","38","4","632","638","10.1107/S0021889805015827","","","0.619383","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2300061","5.08493","0.00014","6.73631","0.00018","4.514","0.00012","90","","90","","90","","154.621","","4.2","","4.2","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600 K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300062","5.08524","0.00017","6.7362","0.0002","4.51431","0.00013","90","","90","","90","","154.638","","20","","20","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600 K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300063","5.08475","0.00016","6.7367","0.0002","4.51394","0.00013","90","","90","","90","","154.622","","40","","40","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600 K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300064","5.08442","0.00016","6.7376","0.0002","4.51384","0.00013","90","","90","","90","","154.63","0.008","60","","60","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300065","5.08429","0.00017","6.7387","0.0002","4.51363","0.00013","90","","90","","90","","154.644","0.008","80","","80","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300066","5.08412","0.00016","6.7404","0.0002","4.51364","0.00013","90","","90","","90","","154.678","0.008","100","","100","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300067","5.08394","0.00017","6.7418","0.0002","4.51359","0.00013","90","","90","","90","","154.703","0.008","120","","120","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300068","5.08396","0.00016","6.7433","0.0002","4.51368","0.00013","90","","90","","90","","154.741","0.008","140","","140","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300069","5.08416","0.00017","6.7453","0.0002","4.51394","0.00013","90","","90","","90","","154.802","0.008","160","","160","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300070","5.084","0.00017","6.7469","0.0002","4.51405","0.00013","90","","90","","90","","154.838","0.008","180","","180","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300071","5.08411","0.00016","6.7483","0.0002","4.51457","0.00013","90","","90","","90","","154.891","0.008","200","","200","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300072","5.08426","0.00017","6.7498","0.0002","4.51509","0.00013","90","","90","","90","","154.948","0.008","220","","220","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300073","5.0843","0.00017","6.7513","0.0002","4.51556","0.00013","90","","90","","90","","154.999","0.008","240","","240","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300074","5.0842","0.00017","6.753","0.0002","4.51621","0.00013","90","","90","","90","","155.058","0.008","260","","260","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300075","5.08398","0.00016","6.7547","0.0002","4.5165","0.00013","90","","90","","90","","155.1","0.008","280","","280","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300076","5.08395","0.00017","6.7558","0.0002","4.51728","0.00013","90","","90","","90","","155.151","0.008","300","","300","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300077","5.08369","0.00016","6.7574","0.0002","4.51789","0.00013","90","","90","","90","","155.201","0.008","320","","320","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300078","5.0837","0.00017","6.7589","0.0002","4.51839","0.00014","90","","90","","90","","155.253","0.008","340","","340","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300079","5.08334","0.00016","6.7599","0.0002","4.51926","0.00013","90","","90","","90","","155.295","0.008","360","","360","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300080","5.08324","0.00017","6.7615","0.0002","4.51937","0.00014","90","","90","","90","","155.332","0.008","380","","380","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300081","5.08247","0.00017","6.7626","0.0002","4.52013","0.00014","90","","90","","90","","155.36","0.008","400","","400","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300082","5.08223","0.00017","6.7638","0.0002","4.52058","0.00014","90","","90","","90","","155.396","0.008","420","","420","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300083","5.08134","0.00017","6.7655","0.0002","4.52039","0.00014","90","","90","","90","","155.401","0.008","440","","440","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300084","5.08071","0.00017","6.767","0.0002","4.52047","0.00014","90","","90","","90","","155.419","0.008","460","","460","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300085","5.08104","0.00017","6.7689","0.0002","4.52139","0.00014","90","","90","","90","","155.504","0.008","480","","480","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300086","5.08233","0.00017","6.7704","0.0002","4.52219","0.00014","90","","90","","90","","155.606","0.008","500","","500","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300087","5.08326","0.00017","6.7732","0.0002","4.52326","0.00014","90","","90","","90","","155.736","0.008","520","","520","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300088","5.08468","0.00016","6.7749","0.0002","4.52433","0.00013","90","","90","","90","","155.855","0.008","540","","540","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300089","5.08644","0.00016","6.7772","0.0002","4.52559","0.00013","90","","90","","90","","156.005","0.008","560","","560","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300090","5.08801","0.00016","6.7791","0.0002","4.52694","0.00013","90","","90","","90","","156.144","0.008","580","","580","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300091","5.0899","0.00016","6.781","0.0002","4.52797","0.00013","90","","90","","90","","156.281","0.008","600","","600","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300197","10.0731","0.0007","5.9456","0.0004","12.1527","0.0009","90","","90","","90","","727.83","0.09","993","","993","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dipotassium heptafluorotantalate(V)","","- F7 K2 Ta -","- F7 K2 Ta -","- F28 K8 Ta4 -","4","0.5","DB5039","Smrčok, Ľubomír; Brunelli, Michela; Boča, Miroslav; Kucharík, Marian","Structure of K~2~TaF~7~ at 993K: the combined use of synchrotron powder data and solid-state DFT calculations","Journal of Applied Crystallography","2008","41","3","634","636","10.1107/S0021889808005876","","","","X-ray","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2300246","10.202","0.006","5.918","0.003","4.709","0.002","90","","90","","90","","284.3","0.3","243.1","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Co Li O4 P -","- Co Li O4 P -","- Co4 Li4 O16 P4 -","4","0.5","","Kimura, Tsunehisa; Chang, Chengkang; Kimura, Fumiko; Maeyama, Masataka","The pseudo-single-crystal method: a third approach to crystal structure determination","Journal of Applied Crystallography","2009","42","3","535","537","10.1107/S0021889809013430","","","0.71075","MoKα","","","0.0659","","","","0.168","","","","","","1.116","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2300352","10.4008","0.0004","6.0523","0.0002","4.7324","0.0002","90","","90","","90","","297.91","0.02","618","","618","","25000","","25000","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Li O4 P -","- Fe1.006 Li1.006 O4 P -","- Fe4.024 Li4.024 O16 P4 -","4","0.5","KO5132","Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo","Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles","Journal of Applied Crystallography","2011","44","2","287","294","10.1107/S0021889811006522","powder diffraction","","0.99814","","","","","","","","","","","","","","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2300353","10.3789","0.0001","6.0394","0.0001","4.7211","0.0001","90","","90","","90","","295.931","0.008","618","","618","","25000","","25000","","","","","5","P n m a","-P 2ac 2n","62","","","","- Fe0.75 Li Mn0.25 O4 P -","- Fe0.75 Li Mn0.25 O4 P -","- Fe3 Li4 Mn O16 P4 -","4","0.5","KO5132","Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo","Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles","Journal of Applied Crystallography","2011","44","2","287","294","10.1107/S0021889811006522","powder diffraction","","0.94449","","","","","","","","","","","","","","","","","","has coordinates","287987","2023-12-04","13:58:22",""
"2300354","10.4072","0.0003","6.06188","0.00014","4.73357","0.00013","90","","90","","90","","298.628","0.014","618","","618","","25000","","25000","","","","","5","P n m a","-P 2ac 2n","62","","","","- Fe0.5 Li Mn0.5 O4 P -","- Fe0.5 Li Mn0.5 O4 P -","- Fe2 Li4 Mn2 O16 P4 -","4","0.5","KO5132","Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo","Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles","Journal of Applied Crystallography","2011","44","2","287","294","10.1107/S0021889811006522","powder diffraction","","0.94449","","","","","","","","","","","","","","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2300355","10.4303","0.0003","6.08084","0.00019","4.74531","0.00018","90","","90","","90","","300.971","0.017","618","","618","","25000","","25000","","","","","5","P n m a","-P 2ac 2n","62","","","","- Fe0.25 Li Mn0.75 O4 P -","- Fe0.25 Li Mn0.75 O4 P -","- Fe Li4 Mn3 O16 P4 -","4","0.5","KO5132","Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo","Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles","Journal of Applied Crystallography","2011","44","2","287","294","10.1107/S0021889811006522","powder diffraction","","0.94449","","","","","","","","","","","","","","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2300387","7.60788","0.00012","14.8299","0.0002","10.2865","0.00016","90","","90","","90","","1160.57","0.03","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Barium Fluoride Borate","","- B3 Ba5 F O9 -","- B3 Ba5 F O9 -","- B12 Ba20 F4 O36 -","4","0.5","NB5067","Rashchenko, Sergey V.; Bekker, Tatyana B.; Bakakin, Vladimir V.; Seryotkin, Yurii V.; Kokh, Alexander E.; Gille, Peter; Popov, Arthur I.; Fedorov, Pavel P.","A new mechanism of anionic substitution in fluoride borates","Journal of Applied Crystallography","2013","46","4","1081","1084","10.1107/S0021889813015756","","","0.71073","MoKα","","0.0241","0.0211","","","0.054","0.0556","","","","","","1.113","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300530","25.321","","3.4013","","11.4614","","90","","90","","90","","987.105","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Ta5 P3","","- P3 Ta5 -","- P3 Ta5 -","- P24 Ta40 -","8","1","","Thomas, J.O.; Ersson, N.O.; Andersson, Y.","An X-Ray film powder profile refinement of the crystal structure of Ta5 P3","Journal of Applied Crystallography","1980","13","","605","607","","","","","","","","","","","","","","","","","","","","","","has coordinates","156100","2020-10-21","18:00:00",""
"2300558","5.1731","0.0005","3.3381","0.0005","5.6049","0.0007","90","","90","","90","","96.79","0.02","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ni Si -","- Ni Si -","- Ni4 Si4 -","4","0.5","","Lord, Oliver T.; Thomson, Andrew R.; Wann, Elizabeth T. H.; Wood, Ian G.; Dobson, David P.; Vocadlo, Lidunka","The equation of state of the <i>Pmmn</i> phase of NiSi","Journal of Applied Crystallography","2015","48","6","1914","1920","10.1107/S1600576715020087","powder diffraction","x-ray","0.3738","","","","","","","","","","","0.61","","","","","","","has coordinates","170610","2020-10-21","18:00:00",""
"2300631","7.1374","0.0007","4.4172","0.0005","6.7029","0.0008","90","","90","","90","","211.32","0.04","100","0.1","100","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lithium borohydride","","- B H4 Li -","- B H4 Li -","- B4 H16 Li4 -","4","0.5","GJ5200","Solar, Michael; Trapp, Nils","μCHILL: a lightweight, modular system for handling crystalline samples at low temperatures under inert conditions","Journal of Applied Crystallography","2018","51","2","","","10.1107/S1600576718003291","","","1.54184","CuKα","","0.0581","0.056","","","0.1358","0.1381","","","","","","1.155","","","","has coordinates,has Fobs","207125","2020-10-21","18:00:00",""
"2300632","7.1431","0.0006","4.4159","0.0004","6.7027","0.0006","90","","90","","90","","211.42","0.03","100","0.1","100","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lithium borohydride","","- B H4 Li -","- B H4 Li -","- B4 H16 Li4 -","4","0.5","","Solar, Michael; Trapp, Nils","μCHILL: a lightweight, modular system for handling crystalline samples at low temperatures under inert conditions","Journal of Applied Crystallography","2018","51","2","","","10.1107/S1600576718003291","","","1.54184","CuKα","","0.0552","0.0521","","","0.1274","0.1292","","","","","","1.133","","","","has coordinates,has Fobs","207125","2020-10-21","18:00:00",""
"2300640","20.022","0.004","19.899","0.004","13.383","0.003","90","","90","","90","","5332","1.9","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei","On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds","Journal of Applied Crystallography","2018","51","4","","","10.1107/S1600576718007604","","","0.0251","","","0.24","0.1953","","","0.4677","0.5078","","","","","","1.132","","","","has coordinates,has Fobs","208877","2020-10-21","18:00:00",""
"2300641","20.022","0.004","19.899","0.004","13.383","0.003","90","","90","","90","","5332","1.9","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei","On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds","Journal of Applied Crystallography","2018","51","4","","","10.1107/S1600576718007604","","","0.0251","","","0.2321","0.1965","","","0.4812","0.5085","","","","","","1.131","","","","has coordinates,has Fobs","208877","2020-10-21","18:00:00",""
"2300642","20.022","0.004","19.899","0.004","13.383","0.003","90","","90","","90","","5332","1.9","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O192 Si96 -","- O192 Si96 -","- O192 Si96 -","1","0.125","","Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei","On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds","Journal of Applied Crystallography","2018","51","4","","","10.1107/S1600576718007604","","","0.0251","","","0.2515","0.2327","","","0.5421","0.5571","","","","","","1.177","","","","has coordinates,has Fobs","208877","2020-10-21","18:00:00",""
"2300643","20.022","0.004","19.899","0.004","13.383","0.003","90","","90","","90","","5332","1.9","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei","On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds","Journal of Applied Crystallography","2018","51","4","","","10.1107/S1600576718007604","","","0.0251","","","0.2867","0.2648","","","0.6059","0.6226","","","","","","1.121","","","","has coordinates,has Fobs","208877","2020-10-21","18:00:00",""
"2300668","20.022","0.004","19.899","0.004","13.383","0.003","90","","90","","90","","5332","1.9","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Roslova, Maria; Smeets, Stef; Wang, Bin; Thersleff, Thomas; Xu, Hongyi; Zou, Xiaodong","<i>InsteaDMatic</i>: towards cross-platform automated continuous rotation electron diffraction","Journal of Applied Crystallography","2020","53","5","1217","1224","10.1107/S1600576720009590","","","0.019","300kVelectrons","","0.2612","0.1992","","","0.5092","0.5465","","","","","","1.583","","","","has coordinates,has Fobs","258187","2020-10-21","18:00:00",""
"2300669","20.022","0.004","19.899","0.004","13.383","0.003","90","","90","","90","","5332","1.9","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Roslova, Maria; Smeets, Stef; Wang, Bin; Thersleff, Thomas; Xu, Hongyi; Zou, Xiaodong","<i>InsteaDMatic</i>: towards cross-platform automated continuous rotation electron diffraction","Journal of Applied Crystallography","2020","53","5","1217","1224","10.1107/S1600576720009590","","","0.019","300kVelectrons","","0.1997","0.1758","","","0.4746","0.4914","","","","","","1.609","","","","has coordinates,has Fobs","258187","2020-10-21","18:00:00",""
"2300728","6.217","0.003","30.11","0.008","7.18","0.003","90","","90","","90","","1344.1","0.9","99.9","0.4","99.9","0.4","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","0.5","","Dyk, Konrad; Kinzhybalo, Vasyl; Horak, Yuriy; Butenko, Serhii; Siczek, Miłosz; Kamiński, Daniel M.","Bending the bonds: unveiling halogen interactions in the elastic polymorph of 2,5-bis(3-bromophenyl)furan","Journal of Applied Crystallography","2024","57","1","","","10.1107/S1600576723010609","","x-ray","0.71073","MoKα","","0.0477","0.0355","","","0.088","0.0941","","","","","","1.19","","","","has coordinates,has Fobs","289170","2024-01-20","02:46:14",""
"2300734","9.78216","0.00015","2.97127","0.00004","4.51938","0.00011","90","","90","","90","","131.358","0.004","303","","303","","","","101","","","","Hydrothermal synthesis","3","P n m a","-P 2ac 2n","62","Gallium oxyhydroxide","","","- Ga H O2 -","- Ga H O2 -","- Ga4 H4 O8 -","4","0.5","","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~","","","","","","0.07939","","0.04628","","3.209","","","","","","","has coordinates","289800","2024-02-13","03:08:30",""
"2300741","7.5371","0.0002","16.1777","0.0005","8.7793","0.0003","90","","90","","90","","1070.49","0.06","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 Ca3 K2 O12 -","- C3.999 Ca3 K2 O11.999 -","- C15.996 Ca12 K8 O47.996 -","4","0.5","","Rashchenko, Sergey V.; Ignatov, Mark A.; Shatskiy, Anton F.; Arefiev, Anton V.; Litasov, Konstantin D.","Coupling between cation and anion disorder in β-K2Ca3(CO3)4","Journal of Applied Crystallography","2024","57","3","","","10.1107/S1600576724002292","","x-ray","0.71073","MoKα","","0.0761","0.0522","","","0.1077","0.1108","","","","1.5135","1.5135","1.2187","","","","has coordinates","291386","2024-04-27","02:00:32",""
"2300742","7.5404","0.0003","16.0962","0.0006","8.7321","0.0003","90","","90","","90","","1059.83","0.07","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 Ca2.818824 K2 Mg0.181176 O12 -","- C4.001 Ca2.82 K2 Mg0.18 O12.005 -","- C16.004 Ca11.28 K8 Mg0.72 O48.02 -","4","0.5","","Rashchenko, Sergey V.; Ignatov, Mark A.; Shatskiy, Anton F.; Arefiev, Anton V.; Litasov, Konstantin D.","Coupling between cation and anion disorder in β-K2Ca3(CO3)4","Journal of Applied Crystallography","2024","57","3","","","10.1107/S1600576724002292","","x-ray","0.71073","MoKα","","0.0722","0.0528","","","0.1307","0.14","","","","1.1252","1.1252","0.9603","","","","has coordinates","291386","2024-04-27","02:00:33",""
"2310008","12.7158","0.0003","21.352","0.0005","5.1745","0.0002","90","","90","","90","","1404.92","0.07","10","5","10","5","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H16 Cu Mn N2 O11 -","- C7 H16 Cu Mn N2 O11 -","- C28 H64 Cu4 Mn4 N8 O44 -","4","0.5","WL5162","Deutsch, Maxime; Claiser, Nicolas; Pillet, Sébastien; Chumakov, Yurii; Becker, Pierre; Gillet, Jean-Michel; Gillon, Béatrice; Lecomte, Claude; Souhassou, Mohamed","Experimental determination of spin-dependent electron density by joint refinement of X-ray and polarized neutron diffraction data","Acta Crystallographica Section A","2012","68","6","675","686","10.1107/S0108767312031996","","","0.71073","MoKα","","0.0366","0.029","","","0.0599","0.0615","","","","","","0.958","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310094","10.05","","8.55","","4.47","","90","","90","","90","","384.096","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Fe3 B O6","","- B Fe3 O6 -","- B Fe3 O6 -","- B4 Fe12 O24 -","4","0.5","","White, J.G.; Nielsen, R.E.; Miller, A.","Fe3 B O6, a borate isostructural with the mineral norgergite","Acta Crystallographica (1,1948-23,1967)","1965","19","","1060","1061","10.1107/S0365110X6500498X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310098","5.42","","3.98","","7.44","","90","","90","","90","","160.493","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Rh2 B","","- B Rh2 -","- B Rh2 -","- B4 Rh8 -","4","0.5","","Mooney, R.W.; Welch, A.J.E.","The Crystal Structure of Rh2 B","Acta Crystallographica (1,1948-23,1967)","1954","7","","49","53","10.1107/S0365110X54000072","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310104","8.78","","5.41","","7.16","","90","","90","","90","","340.099","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba B O F3","","- B Ba F3 O -","- B Ba F3 O -","- B4 Ba4 F12 O4 -","4","0.5","","Chackraburtty, D.M.","The Structure of Ba B O F3","Acta Crystallographica (1,1948-23,1967)","1957","10","","199","200","10.1107/S0365110X57000638","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310168","7.164","","4.458","","5.574","","90","","90","","90","","178.017","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd Pt -","- Gd Pt -","- Gd4 Pt4 -","4","0.5","","Baenziger, N.C.; Moriarty, J.L.jr.","Gadolinium and dysprosium intermetallic phases. I. The crystal of Dy Ga and Gd Pt and their related compounds","Acta Crystallographica (1,1948-23,1967)","1961","14","","946","947","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310194","14.15","","4.31","","5.73","","90","","90","","90","","349.453","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ni Th -","- Ni Th -","- Ni8 Th8 -","8","1","","Florio, J.V.; Baenziger, N.C.; Rundle, R.E.","Compounds of thorium with transition metals. 2. Systems with iron, cobalt and nickel","Acta Crystallographica (1,1948-23,1967)","1956","9","","367","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310257","7.249","","4.571","","5.856","","90","","90","","90","","194.04","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Pd Th -","- Pd Th -","- Pd4 Th4 -","4","0.5","","Thomson, J.R.","The crystal structure of Th Pd","Acta Crystallographica (1,1948-23,1967)","1964","17","","64","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310282","8.112","","5.102","","10.162","","90","","90","","90","","420.579","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ce Cu6 -","- Ce Cu6 -","- Ce4 Cu24 -","4","0.5","","Cromer, D.T.; Larson, A.C.; Roof, R.B.jr.","The crystal structure of Ce Cu6","Acta Crystallographica (1,1948-23,1967)","1960","13","","913","918","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310300","7.3","","4.3","","6.36","","90","","90","","90","","199.64","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ce Cu -","- Ce Cu -","- Ce4 Cu4 -","4","0.5","","Larson, A.C.; Cromer, D.T.","The crystal structure of Ce Cu","Acta Crystallographica (1,1948-23,1967)","1961","14","","545","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310336","13.15","","5.32","","6.72","","90","","90","","90","","470.118","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Sr Zn5 -","- Sr Zn5 -","- Sr4 Zn20 -","4","0.5","","Baenziger, N.C.; Conant, J.W.","The crystal structures of Sr Zn5 and Ba Zn5","Acta Crystallographica (1,1948-23,1967)","1956","9","","361","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310346","6.44","","3.899","","7.651","","90","","90","","90","","192.113","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Pb F2","","- F2 Pb -","- F2 Pb -","- F8 Pb4 -","4","0.5","","Boldrini, P.; Loopstra, B.O.","Neutron diffraction investigation of orthorhombic lead(II) fluoride","Acta Crystallographica (1,1948-23,1967)","1967","22","","744","745","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310383","12.34","","12.85","","6.29","","90","","90","","90","","997.399","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Zn (H2 O)6) (N O3)2","","- H12 N2 O12 Zn -","- H12 N2 O12 Zn -","- H48 N8 O48 Zn4 -","4","0.5","","Ferrari, A.; Tiripicchio, A.; Braibanti, A.; Lanfredi, A.M.M.","Crystal structures of nitrates of divalent hexaquocations I. Hexaquozinc nitrate","Acta Crystallographica (1,1948-23,1967)","1967","22","","240","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2310388","8.38","","3.99","","6.02","","90","","90","","90","","201.286","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- La Si -","- La Si -","- La4 Si4 -","4","0.5","","Gaman, A.; Steinfink, H.","The Crystal Structures of Rare-Earth Monosilicides","Acta Crystallographica (1,1948-23,1967)","1967","22","","688","691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310502","14.547","","8.77","","4.446","","90","","90","","90","","567.208","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Te2 O4) (H N O3)","","- H N O7 Te2 -","- N O7 Te2 -","- N4 O28 Te8 -","4","0.5","","Twink, L.N.; Carpenter, G.B.","The crystal structure of basic tellurium nitrate, Te2 O4 (H N O3)","Acta Crystallographica (1,1948-23,1967)","1966","21","","578","583","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310510","11.769","","11.092","","6.332","","90","","90","","90","","826.59","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cr (C O)6","","- C6 Cr O6 -","- C6 Cr O6 -","- C24 Cr4 O24 -","4","0.5","","Whitaker, A.; Jeffery, J.W.","The crystal structure of chromium hexacarbonyl","Acta Crystallographica (1,1948-23,1967)","1967","23","","977","984","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310511","12.276","","9.001","","15.539","","90","","90","","90","","1717","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(N (C H3)4)2 (Co Cl4)","","- C8 H24 Cl4 Co N2 -","- C8 H24 Cl4 Co N2 -","- C32 H96 Cl16 Co4 N8 -","4","0.5","","Wiesner, J. R.; Srivastava, R. C.; Kennard, C. H. L.; di Vaira, M.; Lingafelter, E. C.","The crystal structures of tetramethylammonium tetrachloro- cobaltate(II), -nickelate(II), and -zincate(II)","Acta Crystallographica (1,1948-23,1967)","1967","23","4","565","574","10.1107/S0365110X67003214","","","","","","","","","","","","","","","","","","","","","has coordinates","189067","2020-10-21","18:00:00",""
"2310512","12.2639","","8.9819","","15.4861","","90","","90","","90","","1705.84","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(N (C H3)4)2 (Ni Cl4)","","- C8 H24 Cl4 N2 Ni -","- C8 H24 Cl4 N2 Ni -","- C32 H96 Cl16 N8 Ni4 -","4","0.5","","Wiesner, J. R.; Srivastava, R. C.; Kennard, C. H. L.; di Vaira, M.; Lingafelter, E. C.","The crystal structures of tetramethylammonium tetrachloro- cobaltate(II), -nickelate(II), and -zincate(II)","Acta Crystallographica (1,1948-23,1967)","1967","23","4","565","574","10.1107/S0365110X67003214","","","","","","","","","","","","","","","","","","","","","has coordinates","189067","2020-10-21","18:00:00",""
"2310513","12.276","","8.998","","15.541","","90","","90","","90","","1716.65","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(N (C H3)4)2 (Zn Cl4)","","- C8 H24 Cl4 N2 Zn -","- C8 H24 Cl4 N2 Zn -","- C32 H96 Cl16 N8 Zn4 -","4","0.5","","Wiesner, J. R.; di Vaira, M.; Srivastava, R. C.; Kennard, C. H. L.; Lingafelter, E. C.","The crystal structures of tetramethylammonium tetrachloro- cobaltate(II), -nickelate(II), and -zincate(II)","Acta Crystallographica (1,1948-23,1967)","1967","23","4","565","574","10.1107/S0365110X67003214","","","","","","","","","","","","","","","","","","","","","has coordinates","189067","2020-10-21","18:00:00",""
"2310550","5.625","","3.249","","10.98","","90","","90","","90","","200.666","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","U Mo C2","","- C2 Mo U -","- C2 Mo U -","- C8 Mo4 U4 -","4","0.5","","Cromer, D.T.; Larson, A.C.; Roof, R.B.jr.","The crystal structure of U Mo C2","Acta Crystallographica (1,1948-23,1967)","1964","17","","272","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310585","10.8","","6.71","","4.79","","90","","90","","90","","347.122","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cu (I O3) (O H)","","- Cu H I O4 -","- Cu I O4 -","- Cu4 I4 O16 -","4","0.5","","Ghose, S.","The crystal structure of salesite, Cu I O3 (O H)","Acta Crystallographica (1,1948-23,1967)","1962","15","","1105","1109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310608","5.245","","10.778","","18.017","","90","","90","","90","","1018.51","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na Co2.31 (Mo O4)3","","- Co2.31 Mo3 Na O12 -","- Co2.31 Mo3 Na O12 -","- Co9.24 Mo12 Na4 O48 -","4","0.5","","Ibers, J.A.; Smith, G.W.","Crystal Structure of a Sodium Cobalt Molybdate","Acta Crystallographica (1,1948-23,1967)","1964","17","","190","197","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310620","8.39","","6.69","","4.83","","90","","90","","90","","271.104","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cu (S O4)","","- Cu O4 S -","- Cu O4 S -","- Cu4 O16 S4 -","4","0.5","","Kokkoros, P.A.; Rentzeperis, P.J.","The crystal structure of the anhydrous sulfates of copper and zinc","Acta Crystallographica (1,1948-23,1967)","1958","11","","361","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310621","5.871","","3.561","","6.763","","90","","90","","90","","141.392","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Yb D2","","- D2 Yb -","- D2 Yb -","- D8 Yb4 -","4","0.5","","Korst, W.L.; Warf, J.C.","The crystal structure of the deuterides of ytterbium and europium","Acta Crystallographica (1,1948-23,1967)","1956","9","","452","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310625","10.62","","18.42998","","5.02","","90","","90","","90","","982.546","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Zn3 (P O4)2 (H2 O)4","","- H8 O12 P2 Zn3 -","- O12 P2 Zn3 -","- O48 P8 Zn12 -","4","0.5","","Liebau, F.","Zur Kristallstuktur des Hopeits, Zn3 (P O4)2 (H2 O)4","Acta Crystallographica (1,1948-23,1967)","1965","18","","352","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","151263","2020-10-21","18:00:00",""
"2310631","9.0509","","5.6381","","7.3582","","90","","90","","90","","375.488","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Bahariyaite","- K Mn O4 -","- K Mn O4 -","- K4 Mn4 O16 -","4","0.5","","Marabello, D.; Bianchi, R.; Cargnoni, F.; Gervasio, G.","An experimental (120 K) and theoretical electron-density study of KMnO~4~ and KClO~4~","Acta Crystallographica Section A","2004","60","5","494","501","10.1107/S0108767304015260","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"2310691","6.459","","3.792","","18.472","","90","","90","","90","","452.426","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K Ti Nb O5","","- K Nb O5 Ti -","- K Nb O5 Ti -","- K4 Nb4 O20 Ti4 -","4","0.5","","Wadsley, A.D.","Alkali Titanoniobates: The Crystal Structures of K Ti Nb O5 and K Ti3 Nb O9","Acta Crystallographica (1,1948-23,1967)","1964","17","","623","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310698","5.72","","3.676","","6.379","","90","","90","","90","","134.129","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Mn As","","- As Mn -","- As Mn -","- As4 Mn4 -","4","0.5","","Wilson, R.H.; Kasper, J.S.","The crystal structure of Mn As above 40 C","Acta Crystallographica (1,1948-23,1967)","1964","17","","95","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310709","17.923","","3.455","","9.517","","90","","90","","90","","589.33","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Ti2 Se","","- Se Ti2 -","- Se Ti2 -","- Se12 Ti24 -","12","1.5","","Albe, K.; Weirich, T. E.","Structure and stability of α- and β-Ti~2~Se. Electron diffraction versus density-functional theory calculations","Acta Crystallographica Section A","2003","59","1","18","21","10.1107/S0108767302018275","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310752","9.35","","7.94","","14.69","","90","","90","","90","","1090.57","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","P Br7","","- Br7 P -","- Br7 P -","- Br28 P4 -","4","0.5","","Breneman, G.L.; Willett, R.D.","The crystal structure of phosphorus heptabromide, P Br7","Acta Crystallographica (1,1948-23,1967)","1967","23","","467","471","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310767","12.2774","","3.9006","","5.4091","","90","","90","","90","","259.038","","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B3.041 O10.479 Si0.959 Sr4 -","- B3.0416 O10.4776 Si0.958 Sr4 -","- B3.0416 O10.4776 Si0.958 Sr4 -","1","0.125","DK5034","Volkov, Sergey; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav","Incommensurate modulation and thermal expansion of Sr~3~B~2+x~Si~1-x~O~8-x/2 solid solutions","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","5","489","497","10.1107/S2052520615011713","","","0.71073","MoKα","","0.2015","0.0765","","","0.0772","0.0907","","","","","","2.34","","","","has coordinates","201365","2020-10-21","18:00:00",""
"2310768","12.178","0.002","3.8801","0.0008","5.387","0.0011","90","","90","","90","","254.55","0.08","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B3.376 O10.312 Si0.624 Sr4 -","- B3.376 O10.312 Si0.624 Sr4 -","- B3.376 O10.312 Si0.624 Sr4 -","1","0.125","DK5034","Volkov, Sergey; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav","Incommensurate modulation and thermal expansion of Sr~3~B~2+x~Si~1-x~O~8-x/2 solid solutions","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","5","489","497","10.1107/S2052520615011713","","","0.71069","MoKα","","0.1756","0.0605","","","0.0607","0.0677","","","","","","2.35","","","","has coordinates","201365","2020-10-21","18:00:00",""
"2310769","12.089","","3.8635","","5.378","","90","","90","","90","","251.184","","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B3.704 O10.148 Si0.296 Sr4 -","- B3.704 O10.148 Si0.296 Sr4 -","- B3.704 O10.148 Si0.296 Sr4 -","1","0.125","DK5034","Volkov, Sergey; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav","Incommensurate modulation and thermal expansion of Sr~3~B~2+x~Si~1-x~O~8-x/2 solid solutions","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","5","489","497","10.1107/S2052520615011713","","","0.71069","MoKα","","0.2089","0.0806","","","0.0758","0.083","","","","","","2.64","","","","has coordinates","201365","2020-10-21","18:00:00",""
"2310797","11.92","","7.28","","15.46","","90","","90","","90","","1341.58","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Zn (S C (N H2) N H N H2) Cl2","","- C H5 Cl2 N3 S Zn -","- C H5 Cl2 N3 S Zn -","- C8 H40 Cl16 N24 S8 Zn8 -","8","1","","Cavalca, L.; Nardelli, M.; Branchi, G.","The crystal structure of monothiosemicarbazide-zinc chloride","Acta Crystallographica","1960","13","9","688","693","10.1107/s0365110x60001679","","","","","","","","","","","","","","","","","","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2310800","8.67","","5.59","","7.13","","90","","90","","90","","345.558","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pb (Cr O4)","","- Cr O4 Pb -","- Cr O4 Pb -","- Cr4 O16 Pb4 -","4","0.5","","Collotti, G.; Zocchi, M.; Conti, L.","The structure of the orthorhombic modification of lead chromate Pb Cr O4","Acta Crystallographica (1,1948-23,1967)","1959","12","","416","416","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310855","10.82","","5.23","","3.57","","90","","90","","90","","202.021","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","H N C O","","- C H N O -","- C H N O -","- C4 H4 N4 O4 -","4","0.5","","von Dohlen, W. C.; Carpenter, G. B.","The crystal structure of isocyanic acid","Acta Crystallographica (1,1948-23,1967)","1955","8","10","646","651","10.1107/S0365110X55002016","","","","","","","","","","","","","","","","","","","","","has coordinates","189479","2020-10-21","18:00:00",""
"2310916","10.196","","7.77","","13.517","","90","","90","","90","","1070.86","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 Zn Br4","","- Br4 Cs2 Zn -","- Br4 Cs2 Zn -","- Br16 Cs8 Zn4 -","4","0.5","","Morosin, B.; Lingafelter, E.C.","The Crystal Structure of Cesium Tetrabromozincate, Cs2 Zn Br4","Acta Crystallographica (1,1948-23,1967)","1959","12","","744","745","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310917","10.195","","7.965","","12.936","","90","","90","","90","","1050.44","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 Cu Br4","","- Br4 Cs2 Cu -","- Br4 Cs2 Cu -","- Br16 Cs8 Cu4 -","4","0.5","","Morosin, B.; Lingafelter, E.C.","The Crystal Structure of Cesium Tetrabromocuprate(II)","Acta Crystallographica (1,1948-23,1967)","1960","13","","807","809","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310925","10.28","","6.075","","8.648","","90","","90","","90","","540.076","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(N H4) (Br I Cl)","","- Br Cl H4 I N -","- Br Cl H4 I N -","- Br4 Cl4 H16 I4 N4 -","4","0.5","","Migchelsen, T.; Vos, A.","Reinvestigation of the crystal structure of ammonium bromochloroiodate(I), N H4 Br I Cl, at 140 K","Acta Crystallographica (1,1948-23,1967)","1967","22","","812","815","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310974","11.77","","3.962","","11.62","","90","","90","","90","","541.872","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Sb2 Se3 -","- Sb2 Se3 -","- Sb8 Se12 -","4","0.5","","Tideswell, N.W.; Kruse, F.H.; McCullough, J.D.","The crystal structure of antimony selenide, Sb2 Se3","Acta Crystallographica (1,1948-23,1967)","1957","10","","99","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310975","5.18","","3.34","","5.62","","90","","90","","90","","97.233","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ni Si -","- Ni Si -","- Ni4 Si4 -","4","0.5","","Toman, K.","The structure of Ni Si","Acta Crystallographica (1,1948-23,1967)","1951","4","","462","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310976","4.99","","3.72","","7.06","","90","","90","","90","","131.053","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ni2 Si -","- Ni2 Si -","- Ni8 Si4 -","4","0.5","","Toman, K.","The structure of Ni2 Si","Acta Crystallographica (1,1948-23,1967)","1952","5","","329","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310992","10.99","","3.96","","10.85","","90","","90","","90","","472.196","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Th2 S3","","- S3 Th2 -","- S3 Th2 -","- S12 Th8 -","4","0.5","","Zachariasen, W. H.","Crystal chemical studies of the 5f-series of elements. X. Sulfides and oxy-sulfides","Acta Crystallographica","1949","2","5","291","296","10.1107/s0365110x49000758","","","","","","","","","","","","","","","","","","","","","has coordinates","181516","2020-10-21","18:00:00",""
"2310993","10.41","","3.89","","10.65","","90","","90","","90","","431.271","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","U2 S3","","- S3 U2 -","- S3 U2 -","- S12 U8 -","4","0.5","","Zachariasen, W. H.","Crystal chemical studies of the 5f-series of elements. X. Sulfides and oxy-sulfides","Acta Crystallographica","1949","2","5","291","296","10.1107/s0365110x49000758","","","","","","","","","","","","","","","","","","","","","has coordinates","181516","2020-10-21","18:00:00",""
"2311037","11.79","","4.1","","14.59","","90","","90","","90","","705.266","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi2 Pb S4 -","- Bi2 Pb S4 -","- Bi8 Pb4 S16 -","4","0.5","","Iitaka, Y.; Nowacki, W.","A redetermination of the crystal structure of galenobismutite, Pb Bi2 S4","Acta Crystallographica (1,1948-23,1967)","1962","15","","691","698","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311049","17.01","","4.74","","9.07","","90","","90","","90","","731.291","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Cr9 Mo21 Ni20)1.12","","- Cr10.08 Mo23.52 Ni22.4 -","- Cr10.08 Mo23.52 Ni22.4 -","- Cr10.08 Mo23.52 Ni22.4 -","1","0.125","","Shoemaker, C.B.; Shoemaker, D.P.","A variation on the sigma-phase structure: the crystal structure of the P phase, Mo - Ni - Cr","Acta Crystallographica (1,1948-23,1967)","1955","8","","734","735","","","","","","","","","","","","","","","","","","","","","","has coordinates","172171","2020-10-21","18:00:00",""
"2311161","17.8961","0.0005","8.0768","0.0002","6.8871","0.0002","90","","90","","90","","995.48","0.05","296","","296","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Tetraammine(carbonato-κ^2^<i>O</i>,<i>O</i>')cobalt(III) perchlorate","","- C H12 Cl Co N4 O7 -","- C H12 Cl Co N4 O7 -","- C4 H48 Cl4 Co4 N16 O28 -","4","0.5","LH5627","Mohan, Singaravelu Chandra; Jenniefer, Samson Jegan; Muthiah, Packianathan Thomas; Jothivenkatachalam, Kandasamy","Tetraammine(carbonato-κ(2) O,O')cobalt(III) perchlorate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","i45","i46","10.1107/S1600536813018187","","","0.71073","MoKα","","0.0525","0.0417","","","0.143","0.1528","","","","","","1.153","","","","has coordinates","245633","2020-10-21","18:00:00",""
"2311462","8.2777","0.0002","19.7942","0.0005","13.5331","0.0004","90","","90","","90","","2217.4","0.1","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Hexamethylenetetraminium hydrogen bis(2-chloro-4-nitro-benzoate)","","- C20 H20 Cl2 N6 O8 -","- C20 H20 Cl2 N6 O8 -","- C80 H80 Cl8 N24 O32 -","4","0.5","","Lemmerer, Andreas; Motlaung, Xolani","Stoichiometric and polymorphic salts of hexa-methyl-ene-tetra-minium and 2-chloro-4-nitro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1630","1635","10.1107/S2056989017014359","","","0.71073","MoKα","","0.0389","0.0305","","","0.0796","0.0841","","","","","","1.057","","","","has coordinates","245903","2020-10-21","18:00:00",""
"2311547","12.9597","0.0012","31.548","0.003","3.8219","0.0004","90","","90","","90","","1562.6","0.3","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H14 O6 -","- C20 H14 O6 -","- C80 H56 O24 -","4","0.5","SU5407","Solomos, Marina A.; Bertke, Jeffery A.; Swift, Jennifer A.","Crystal structure of a di-aryl carbonate: 1,3-phenyl-ene bis-(phenyl carbonate).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1942","1945","10.1107/S2056989017016772","","","0.71073","MoKα","","0.0476","0.0395","","","0.0891","0.0925","","","","","","1.164","","","","has coordinates","245972","2020-10-21","18:00:00",""
"2311738","20.0789","0.0008","7.4024","0.0007","7.2294","0.0015","90","","90","","90","","1074.5","0.2","283","","283","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe H5 O7 S -","- Fe H5 O7 S -","- Fe8 H40 O56 S8 -","8","1","","Plášil, Jakub; Petříček, Václav; Majzlan, Juraj","A commensurately modulated structure of parabutlerite, Fe<sup>III</sup>SO<sub>4</sub>(OH)·2H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","856","862","10.1107/S2052520617007156","","x-ray","0.71073","MoKα","","0.1185","0.0531","","","0.0622","0.0754","","","","2.14","2.14","1.75","","","","has coordinates","246097","2020-10-21","18:00:00",""
"2311860","19.3755","0.0005","17.0998","0.0004","5.9656","0.0001","90","","90","","90","","1976.51","0.08","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,1-Bis(benzo[<i>b</i>]thiophen-2-yl)-3-(trimethylsilyl)prop-2-yn-1-ol","","- C22 H20 O S2 Si -","- C22 H20 O S2 Si -","- C88 H80 O4 S8 Si4 -","4","0.5","EG3204","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystal structures of functional building blocks derived from bis(benzo[b]thiophen-2-yl)methane.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 9","679","684","10.1107/S2053229616012973","","","0.71073","MoKα","","0.04","0.0327","","","0.0788","0.082","","","","","","1.062","","","","has coordinates,has disorder","246143","2020-10-21","18:00:00",""
"2311886","4.869","0.001","11.071","0.002","15.807","0.003","90","","90","","90","","852.1","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","aluminium dihydrogen arsenate dihydrogen diarsenate","Aluminium [dihydrogen arsenate(V)] dihydrogen diarsenate(V)","","- Al As3 H4 O11 -","- Al As3 H4 O11 -","- Al4 As12 H16 O44 -","4","0.5","LY3048","Schwendtner, Karolina; Kolitsch, Uwe","M<sup>3+</sup>(H<sub>2</sub>AsO<sub>4</sub>)(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>) (M<sup>3+</sup> = Al, Ga) and In<sub>2</sub>(H<sub>2</sub>AsO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: a new layer structure type and a new framework structure type containing the rare H<sub>2</sub>As<sub>2</sub>O<sub>7</sub><sup>2-</sup> group.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 8","600","608","10.1107/S2053229617009676","","","0.71073","MoKα","","0.041","0.0276","","","0.0587","0.0623","","","","","","1.097","","","","has coordinates","246154","2020-10-21","18:00:00",""
"2311887","4.916","0.001","11.213","0.002","15.853","0.003","90","","90","","90","","873.9","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","gallium dihydrogen arsenate dihydrogen diarsenate","Gallium dihydrogen arsenate(V) dihydrogen diarsenate(V)","","- As3 Ga H4 O11 -","- As3 Ga H3 O11 -","- As12 Ga4 H12 O44 -","4","0.5","LY3048","Schwendtner, Karolina; Kolitsch, Uwe","M<sup>3+</sup>(H<sub>2</sub>AsO<sub>4</sub>)(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>) (M<sup>3+</sup> = Al, Ga) and In<sub>2</sub>(H<sub>2</sub>AsO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: a new layer structure type and a new framework structure type containing the rare H<sub>2</sub>As<sub>2</sub>O<sub>7</sub><sup>2-</sup> group.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 8","600","608","10.1107/S2053229617009676","","","0.71073","MoKα","","0.0364","0.0309","","","0.0794","0.0818","","","","","","1.14","","","","has coordinates","246154","2020-10-21","18:00:00",""
"2312352","13.066","0.003","8.015","0.002","6.101","0.002","90","","90","","90","","638.9","0.3","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","Lithium tetrasulfidophosphate(V)","Lithium tetrasulfidophosphate(V)","","- Li3 P S4 -","- Li2.96 P S4 -","- Li11.84 P4 S16 -","4","0.5","","Mercier, Rene; Malugani, Jean-Pierre; Fayhs, Bernard; Guy, Robert; Douglade, Jacques","Structure du Tetrathiophosphate de Lithium","Acta Cryst.","1982","","B38","1887","1890","10.1107/S0567740882007535","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","288157","2023-12-07","18:52:40",""
"2312360","15.0794","0.0002","11.8713","0.0002","16.9291","0.0003","90","","90","","90","","3030.51","0.08","297.5","0.3","297.5","0.3","","","","","","","","3","P n m a","-P 2ac 2n","62","","Heptacosaaluminium decaruthenium tridecasilicon","","- Al27.17 Ru10 Si13.48 -","- Al27.174 Ru10 Si13.48 -","- Al108.696 Ru40 Si53.92 -","4","0.5","WM5690","Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru","Crystal structures of five compounds in the aluminium-ruthenium-silicon system.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","946","951","10.1107/S2056989023008393","","x-ray","0.71073","MoKα","","0.0222","0.0151","","","0.0248","0.0261","","","","","","1.013","","","","has coordinates,has Fobs","287825","2023-11-28","07:32:36",""
"2312425","6.776","","5.496","","9.252","","90","","90","","90","","344.553","","","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca8 O16 Si4 -","- Ca8 O16 Si4 -","- Ca8 O16 Si4 -","1","0.125","","Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute","Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","105","116","10.1107/S205252062400146X","","electron","0.0197","electron","","0.0787","0.0557","","","0.0562","0.0585","","","","1.77","1.77","2.03","","","","has coordinates","291106","2024-04-05","23:40:00",""
"2312426","6.776","","5.496","","9.252","","90","","90","","90","","344.553","","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca8 O16 Si4 -","- Ca8 O16 Si4 -","- Ca8 O16 Si4 -","1","0.125","","Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute","Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","105","116","10.1107/S205252062400146X","","electron","0.0197","electron","","0.1824","0.1228","","","0.1122","0.1197","","","","3.1","3.1","2.38","","","","has coordinates","291106","2024-04-05","23:40:00",""
"2312427","6.765","","5.514","","9.25","","90","","90","","90","","345.045","","","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca8 O16 Si4 -","- Ca8 O16 Si4 -","- Ca8 O16 Si4 -","1","0.125","","Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute","Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","105","116","10.1107/S205252062400146X","","electron","0.0197","electron","","0.0708","0.055","","","0.0607","0.0623","","","","2.09","2.09","2.37","","","","has coordinates","291106","2024-04-05","23:40:00",""
"2312428","6.765","","5.514","","9.25","","90","","90","","90","","345.045","","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca8 O16 Si4 -","- Ca8 O16 Si4 -","- Ca8 O16 Si4 -","1","0.125","","Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute","Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","105","116","10.1107/S205252062400146X","","electron","0.0197","electron","","0.1694","0.0964","","","0.0985","0.1049","","","","3.14","3.14","2.22","","","","has coordinates","291106","2024-04-05","23:40:00",""
"3000087","5.362267","0.000012","7.51038","0.000014","5.292981","0.000011","90","","90","","90","","213.162","0.0008","295","","295","","","","","","","","","3","P n m a","-P 2ac 2n","","","","Samarium Cobalt Oxide","- Co O3 Sm -","","","","","","Matthew Rowles; Wang, Cheng Cheng; Chen, Kongfa; Li, Na; He, Shuai; Jiang, San-Ping","Structure and thermal expansion behaviour of samarium cobalt oxide","To be published in Acta Cryst. Section B","","","","","","","","","0.799328","synchrotron","","","","","","","","","","1.91","","","","","","","","187999","2020-10-21","18:00:00","2017-04-07"
"3000088","5.368338","0.000014","7.520568","0.000015","5.300603","0.000011","90","","90","","90","","214.001","0.0008","403","","403","","","","","","","","","3","P n m a","-P 2ac 2n","","","","Samarium Cobalt Oxide","- Co O3 Sm -","","","","","","Matthew Rowles; Wang, Cheng Cheng; Chen, Kongfa; Li, Na; He, Shuai; Jiang, San-Ping","Structure and thermal expansion behaviour of samarium cobalt oxide","To be published in Acta Cryst. Section B","","","","","","","","","0.799328","synchrotron","","","","","","","","","","1.866","","","","","","","","187999","2020-10-21","18:00:00","2017-04-07"
"3000089","5.383488","0.000015","7.536317","0.000014","5.312201","0.000012","90","","90","","90","","215.525","0.0009","507","","507","","","","","","","","","3","P n m a","-P 2ac 2n","","","","Samarium Cobalt Oxide","- Co O3 Sm -","","","","","","Matthew Rowles; Wang, Cheng Cheng; Chen, Kongfa; Li, Na; He, Shuai; Jiang, San-Ping","Structure and thermal expansion behaviour of samarium cobalt oxide","To be published in Acta Cryst. Section B","","","","","","","","","0.799328","synchrotron","","","","","","","","","","1.858","","","","","","","","199735","2020-10-21","18:00:00","2017-10-07"
"3000090","5.406215","0.000015","7.556727","0.000014","5.326876","0.000011","90","","90","","90","","217.62","0.0009","608","","608","","","","","","","","","3","P n m a","-P 2ac 2n","","","","Samarium Cobalt Oxide","- Co O3 Sm -","","","","","","Matthew Rowles; Wang, Cheng Cheng; Chen, Kongfa; Li, Na; He, Shuai; Jiang, San-Ping","Structure and thermal expansion behaviour of samarium cobalt oxide","To be published in Acta Cryst. Section B","","","","","","","","","0.799328","synchrotron","","","","","","","","","","1.78","","","","","","","","187999","2020-10-21","18:00:00","2017-04-07"
"3000091","5.437758","0.000013","7.584137","0.000013","5.34588","0.00001","90","","90","","90","","220.468","0.0008","721","","721","","","","","","","","","3","P n m a","-P 2ac 2n","","","","Samarium Cobalt Oxide","- Co O3 Sm -","","","","","","Matthew Rowles; Wang, Cheng Cheng; Chen, Kongfa; Li, Na; He, Shuai; Jiang, San-Ping","Structure and thermal expansion behaviour of samarium cobalt oxide","To be published in Acta Cryst. Section B","","","","","","","","","0.799328","synchrotron","","","","","","","","","","1.716","","","","","","","","187999","2020-10-21","18:00:00","2017-04-07"
"3000092","5.459411","0.000001","7.606208","0.000012","5.360822","0.000009","90","","90","","90","","222.61","0.0005","830","","830","","","","","","","","","3","P n m a","-P 2ac 2n","","","","Samarium Cobalt Oxide","- Co O3 Sm -","","","","","","Matthew Rowles; Wang, Cheng Cheng; Chen, Kongfa; Li, Na; He, Shuai; Jiang, San-Ping","Structure and thermal expansion behaviour of samarium cobalt oxide","To be published in Acta Cryst. Section B","","","","","","","","","0.799328","synchrotron","","","","","","","","","","1.584","","","","","","","","187999","2020-10-21","18:00:00","2017-04-07"
"3000093","5.474805","0.000001","7.624891","0.000014","5.373453","0.000011","90","","90","","90","","224.314","0.0006","934","","934","","","","","","","","","3","P n m a","-P 2ac 2n","","","","Samarium Cobalt Oxide","- Co O3 Sm -","","","","","","Matthew Rowles; Wang, Cheng Cheng; Chen, Kongfa; Li, Na; He, Shuai; Jiang, San-Ping","Structure and thermal expansion behaviour of samarium cobalt oxide","To be published in Acta Cryst. Section B","","","","","","","","","0.799328","synchrotron","","","","","","","","","","1.526","","","","","","","","187999","2020-10-21","18:00:00","2017-04-07"
"3000094","5.486466","0.000001","7.641077","0.000017","5.384421","0.000012","90","","90","","90","","225.728","0.0007","1034","","1034","","","","","","","","","3","P n m a","-P 2ac 2n","","","","Samarium Cobalt Oxide","- Co O3 Sm -","","","","","","Matthew Rowles; Wang, Cheng Cheng; Chen, Kongfa; Li, Na; He, Shuai; Jiang, San-Ping","Structure and thermal expansion behaviour of samarium cobalt oxide","To be published in Acta Cryst. Section B","","","","","","","","","0.799328","synchrotron","","","","","","","","","","1.516","","","","","","","","187999","2020-10-21","18:00:00","2017-04-07"
"3000095","5.496933","0.000011","7.657297","0.000019","5.395592","0.000012","90","","90","","90","","227.109","0.0009","1142","","1142","","","","","","","","","3","P n m a","-P 2ac 2n","","","","Samarium Cobalt Oxide","- Co O3 Sm -","","","","","","Matthew Rowles; Wang, Cheng Cheng; Chen, Kongfa; Li, Na; He, Shuai; Jiang, San-Ping","Structure and thermal expansion behaviour of samarium cobalt oxide","To be published in Acta Cryst. Section B","","","","","","","","","0.799328","synchrotron","","","","","","","","","","1.498","","","","","","","","187999","2020-10-21","18:00:00","2017-04-07"
"3000096","5.505157","0.000013","7.671638","0.000024","5.405593","0.000017","90","","90","","90","","228.298","0.0011","1245","","1245","","","","","","","","","3","P n m a","-P 2ac 2n","","","","Samarium Cobalt Oxide","- Co O3 Sm -","","","","","","Matthew Rowles; Wang, Cheng Cheng; Chen, Kongfa; Li, Na; He, Shuai; Jiang, San-Ping","Structure and thermal expansion behaviour of samarium cobalt oxide","To be published in Acta Cryst. Section B","","","","","","","","","0.799328","synchrotron","","","","","","","","","","1.512","","","","","","","","187999","2020-10-21","18:00:00","2017-04-07"
"3000125","9.06956","0.00014","5.51771","0.00015","7.27476","0.00012","90","","90","","90","","364.052","0.013","303","","303","","","","","","","","","4","P n m a","-P 2ac 2n","62","radium-barium sulfate","","","- Ba O16 Ra3 S4 -","- Ba O16 Ra3 S4 -","- Ba O16 Ra3 S4 -","1","0.125","","Matyskin, Artem V.; Ylmen, Rikard; Lagerkvist, Petra; Ramebäck, Henrik; Ekberg, Christian","Crystal structure of radium sulfate: An X-ray powder diffraction and density functional theory study","Journal of Solid State Chemistry","2017","253","","15","20","10.1016/j.jssc.2017.05.024","powder diffraction","","1.5418","CuKα","","","","","","","","","7.2267","1.507","","","","","","","has coordinates","197073","2020-10-21","18:00:00",""
"3000152","7.66","0.0006","8.5443","0.0006","5.4822","0.0004","90","","90","","90","","358.81","0.05","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","","thiourea","","","- C H4 N2 S -","","","","","","Katrusiak, A.; Tomkowiak, H.","","To be published in CGD","","","","","","","","","0.71073","MoKα","","0.0432","0.0382","","","0.1151","0.1216","","","","","","1.055","","","","","202411","2020-10-21","18:00:00","2018-03-30"
"3000153","7.5791","0.0009","8.533","0.008","5.4655","0.0004","90","","90","","90","","353.5","0.3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","","thiourea","","","- C H4 N2 S -","","","","","","Katrusiak, A.; Tomkowiak, H.","","To be published in CGD","","","","","","","","","0.71073","MoKα","","0.0731","0.0638","","","0.1933","0.2095","","","","","","1.17","","","","","202411","2020-10-21","18:00:00","2018-03-30"
"3000154","7.4881","0.0009","8.53","0.008","5.4464","0.0005","90","","90","","90","","347.9","0.3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","","thiourea","","","- C H4 N2 S -","","","","","","Katrusiak, A.; Tomkowiak, H.","","To be published in CGD","","","","","","","","","0.71073","MoKα","","0.0549","0.0449","","","0.1213","0.1485","","","","","","1.191","","","","","202411","2020-10-21","18:00:00","2018-03-30"
"3000155","7.3515","0.0008","24.96","0.02","5.5518","0.0004","90","","90","","90","","1018.7","0.8","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","","thiourea","","","- C H4 N2 S -","","","","","","Katrusiak, A.; Tomkowiak, H.","","To be published in CGD","","","","","","","","","0.71073","MoKα","","0.0712","0.0571","","","0.1555","0.1708","","","","","","1.127","","","","","202411","2020-10-21","18:00:00","2018-03-30"
"3000156","7.3071","0.0008","24.87","0.02","5.5398","0.0004","90","","90","","90","","1006.7","0.8","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","","thiourea","","","- C H4 N2 S -","","","","","","Katrusiak, A.; Tomkowiak, H.","","To be published in CGD","","","","","","","","","0.71073","MoKα","","0.0644","0.0538","","","0.1427","0.1538","","","","","","1.116","","","","","202411","2020-10-21","18:00:00","2018-03-30"
"3000157","7.2487","0.0007","24.83","0.02","5.5226","0.0003","90","","90","","90","","994","0.8","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","","thiourea","","","- C H4 N2 S -","","","","","","Katrusiak, A.; Tomkowiak, H.","","To be published in CGD","","","","","","","","","0.71073","MoKα","","0.0645","0.0548","","","0.1452","0.1567","","","","","","1.165","","","","","202411","2020-10-21","18:00:00","2018-03-30"
"3000158","7.2416","0.0008","24.76","0.02","5.5266","0.0004","90","","90","","90","","990.9","0.8","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","","thiourea","","","- C H4 N2 S -","","","","","","Katrusiak, A.; Tomkowiak, H.","","To be published in CGD","","","","","","","","","0.71073","MoKα","","0.0922","0.0805","","","0.2272","0.2461","","","","","","1.169","","","","","202411","2020-10-21","18:00:00","2018-03-30"
"3000159","7.1833","0.0005","24.893","0.015","5.5118","0.0003","90","","90","","90","","985.6","0.6","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","","thiourea","","","- C H4 N2 S -","","","","","","Katrusiak, A.; Tomkowiak, H.","","To be published in CGD","","","","","","","","","0.71073","MoKα","","0.0616","0.0535","","","0.1474","0.1577","","","","","","1.139","","","","","202411","2020-10-21","18:00:00","2018-03-30"
"3000160","7.1659","0.0004","24.84","0.014","5.5056","0.0002","90","","90","","90","","980","0.6","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","","thiourea","","","- C H4 N2 S -","","","","","","Katrusiak, A.; Tomkowiak, H.","","To be published in CGD","","","","","","","","","0.71073","MoKα","","0.0675","0.0627","","","0.1769","0.1852","","","","","","1.117","","","","","202411","2020-10-21","18:00:00","2018-03-30"
"3000161","7.0261","0.0006","24.739","0.018","5.4709","0.0003","90","","90","","90","","950.9","0.7","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","","thiourea","","","- C H4 N2 S -","","","","","","Katrusiak, A.; Tomkowiak, H.","","To be published in CGD","","","","","","","","","0.71073","MoKα","","0.0627","0.0508","","","0.1433","0.1592","","","","","","1.093","","","","","202411","2020-10-21","18:00:00","2018-03-30"
"3000162","6.9746","0.0006","24.518","0.019","5.4608","0.0003","90","","90","","90","","933.8","0.7","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","","thiourea","","","- C H4 N2 S -","","","","","","Katrusiak, A.; Tomkowiak, H.","","To be published in CGD","","","","","","","","","0.71073","MoKα","","0.061","0.052","","","0.1428","0.1521","","","","","","1.103","","","","","202411","2020-10-21","18:00:00","2018-03-30"
"3000171","9.2862","0.0006","5.93923","0.00035","7.5784","0.0006","90","","90","","90","","417.97","0.05","","","","","","","","","","","","3","P n m a","-P 2ac 2n","","","RbAlD4","?RbAlD4?","- Al H4 Rb -","","","","","","Weidenthaler, Claudia; Felderhoff, Michael; Bernert, Thomas; Sorby, Magnus H.; Hauback, Bjorn C.; Krech, Daniel","","To be published in Crystals","","","","","","","","","1.5539","","","","","","","","","","","","","","","","","","","205763","2020-10-21","18:00:00","2018-06-26"
"3000227","9.367","0.003","5.894","0.001","7.61","0.002","90","","90","","90","","420.14","0.19","600","10","600","10","","","","","","","synthetic","3","P n m a","-P 2ac 2n","62","","rubidium chlorate(V)","","- Cl O3 Rb -","- Cl O3 Rb -","- Cl4 O12 Rb4 -","4","0.5","","Reiner, G.; Wartchow, R.","On Potassiumchlorate, K Cl O3, Rubidiumchlorate, Rb Cl O3, and Cesiumchlorate, Cs Cl O3 . III. Crystal structure of high-temperature Rb Cl O3","Institutionelles Repositorium der Leibniz Universitaet Hannover","2019","","","","","10.15488/4740","","","0.71073","MoKα","","0.0745","0.0556","","","0.0883","0.0978","","","","","","1.493","","","","has coordinates,has disorder","214850","2020-10-21","18:00:00",""
"3000234","9.3999","","6.1644","","4.9514","","90","","90","","90","","286.908","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","","Zn2SiO4","","Zn2SiO4 with Ag2CrO4","- O4 Si Zn2 -","","","","","","Kanzaki, M.","High-pressure phase relations in Zn2SiO4 system: A first-principles study (DFT optimized Zn2SiO4 with Ag2CrO4 structure at 0 K)","To be published","","","","","","","","","","","","","","","","","","","","","","","","","","","","215369","2020-10-21","18:00:00","2020-04-22"
"3000238","10.252","","6.0014","","4.7805","","90","","90","","90","","294.127","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","","Zn2SiO4","","Zn2SiO4 olivine","- O4 Si Zn2 -","","","","","","Kanzaki, M.","High-pressure phase relations in Zn2SiO4 system: A first-principles study (DFT optimized Zn2SiO4 with olivine structure at 0 K)","To be published","","","","","","","","","","","","","","","","","","","","","","","","","","","","215373","2020-10-21","18:00:00","2020-04-22"
"3000240","10.2804","","6.636","","5.0609","","90","","90","","90","","345.258","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","","Zn2SiO4","","Zn2SiO4 phase III","- O4 Si Zn2 -","","","","","","Kanzaki, M.","High-pressure phase relations in Zn2SiO4 system: A first-principles study (DFT optimized Zn2SiO4 III structure at 0 K)","To be published","","","","","","","","","","","","","","","","","","","","","","","","","","","","215376","2020-10-21","18:00:00","2020-04-22"
"3000246","14.6356","0.001","3.81207","0.00015","11.2115","0.0007","90","","90","","90","","625.51","0.06","294","","294","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3 H3.4 Si3 -","- Ca3 H3.4 Si3 -","- Ca12 H13.6 Si12 -","4","0.5","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","4.4","1.94","","","","","","","has coordinates","219316","2020-10-21","18:00:00",""
"3000253","14.579","0.004","3.8119","0.0004","11.209","0.002","90","","90","","90","","622.9","0.2","294","","294","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3 D3.23 Si3 -","- Ca3 D3.228 Si3 -","- Ca12 D12.912 Si12 -","4","0.5","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.7982","neutron","","","","","","","","","1.48","1.33","","","","","","","has coordinates","219323","2020-10-21","18:00:00",""
"3000400","10.1918","0.0007","5.9689","0.0004","4.7484","0.0003","90","","90","","90","","288.86","0.03","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","","","","","- Fe0.25 Mg1.93 O4 Si -","","","","","","pengbijie","","To be published in Crystals","","","","","","","","x-ray","0.71073","MoKα","","0.0356","0.035","","","0.0944","0.0948","","","","","","1.185","","","","","276682","2022-07-06","15:11:16","2022-12-06"
"3000401","10.1918","0.0007","5.9689","0.0004","4.7484","0.0003","90","","90","","90","","288.86","0.03","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","","","","","- Fe0.02 Mg1.98 O4 Si -","","","","","","peng","","To be published in Crystals","","","","","","","","x-ray","0.71073","MoKα","","0.0356","0.035","","","0.0944","0.0948","","","","","","1.185","","","","","276724","2022-07-07","02:32:42","2023-06-07"
"3500048","10.30844","0.00007","6.02909","0.00003","23.80175","0.00014","90","","90","","90","","1479.29","0.015","768","","768","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F6 K2 Zr -","- F6 K2 Zr -","- F48 K16 Zr8 -","8","1","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca","Polymorphism of K~2~ZrF~6~ by synchrotron powder diffraction and DFT","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","0.826946","synchrotron","","","","","","","","","13.3758","1.524","","","","","","","has coordinates","188675","2020-10-21","18:00:00",""
"3500103","11.9181","0.0003","13.3547","0.0004","5.1261","0.0002","90","","90","","90","","815.88","0.05","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","1-bromo-3,5-dimethoxybenzene","1-bromo-3,5-dimethoxybenzene","","- C8 H9 Br O2 -","- C8 H9 Br O2 -","- C32 H36 Br4 O8 -","4","0.5","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0192","0.0191","","","0.0498","0.0499","","","","","","1.175","","","","has coordinates,has Fobs","251904","2020-10-21","18:00:00",""
"3500104","12.0723","0.0006","13.3794","0.0007","4.8987","0.0002","90","","90","","90","","791.24","0.07","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","1-chloro-3,5-dimethoxybenzene","1-chloro-3,5-dimethoxybenzene","","- C8 H9 Cl O2 -","- C8 H9 Cl O2 -","- C32 H36 Cl4 O8 -","4","0.5","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0264","0.0251","","","0.0656","0.0667","","","","","","1.065","","","","has coordinates,has Fobs","251905","2020-10-21","18:00:00",""
"3500106","13.214","0.0006","6.5266","0.0003","8.6159","0.0004","90","","90","","90","","743.06","0.06","105","","105","","","","","","","","","5","P n m a","-P 2ac 2n","62","4-chloro-2,6-dimethoxypyrimidine","4-chloro-2,6-dimethoxypyrimidine","","- C6 H7 Cl N2 O2 -","- C6 H7 Cl N2 O2 -","- C24 H28 Cl4 N8 O8 -","4","0.5","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0268","0.0262","","","0.0713","0.072","","","","","","1.149","","","","has coordinates,has disorder,has Fobs","251907","2020-10-21","18:00:00",""
"3500112","7.6434","0.0002","14.6714","0.0005","5.5496","0.0002","90","","90","","90","","622.33","0.03","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","indole","1H-Indole","","- C8 H7 N -","- C8 H7 N -","- C32 H28 N4 -","4","0.5","","Thierry Maris","Indole in Pnma at 100 K","Personal communication to COD","2020","","","","","","","","1.54178","CuKα","","0.0317","0.0315","","","0.0862","0.0863","","","","","","1.129","","","","has coordinates,has disorder,has Fobs","259064","2020-11-10","20:59:21",""
"3500113","7.7245","0.0001","14.8852","0.0002","5.7824","0.0001","90","","90","","90","","664.865","0.017","150","2","150.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","Thianaphtene","","","- C8 H6 S -","- C8 H6 S -","- C32 H24 S4 -","4","0.5","","Thierry Maris","Thianaphtene in Pnma at 100 K","Personal communication to COD","2020","","","","","","","","1.54178","CuKα","","0.0353","0.0348","","","0.1003","0.1008","","","","","","1.119","","","","has coordinates,has disorder,has Fobs","259065","2020-11-10","21:06:25",""
"4000235","3.959","0.006","12.415","0.003","25.469","0.004","90","","90","","90","","1251","1","296.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H4 I1.27 S4 Se2 -","- C7 H4 I1.26 S4 Se2 -","- C28 H16 I5.04 S16 Se8 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm025758r","","","0.7107","MoKα","","","0.0355","","","","0.0336","","","","","","1.576","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000236","3.9645","0.0009","12.421","0.002","25.463","0.005","90","","90","","90","","1253","1","298.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H4 I1.22 S4 Se2 -","- C7 H4 I1.22 S4 Se2 -","- C28 H16 I4.88 S16 Se8 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm025758r","","","0.7107","MoKα","","","0.0377","","","","0.0455","","","","","","1.814","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000237","3.962","0.002","12.422","0.003","25.47","0.006","90","","90","","90","","1253","1","298.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H4 I1.23 S4 Se2 -","- C7 H4 I1.24 S4 Se2 -","- C28 H16 I4.96 S16 Se8 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm025758r","","","0.7107","MoKα","","","0.0323","","","","0.029","","","","","","1.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000242","7.6583","0.0009","14.7934","0.0018","7.7554","0.0009","90","","90","","90","","878.63","0.18","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd5 Ge2.5 Si1.5 -","- Gd5 Ge2.406 Si1.59 -","- Gd20 Ge9.624 Si6.36 -","4","0.5","","","","Chemistry of Materials","2003","","","","","","","","0.71073","MoKα","","0.0552","0.0392","","","0.0981","0.1066","","","","","","0.721","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000243","7.517","0.003","14.8","0.005","7.79","0.003","90","","90","","90","","866.6","0.5","163","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd5 Ge2.5 Si1.5 -","- Gd5 Ge2.429 Si1.57 -","- Gd20 Ge9.716 Si6.28 -","4","0.5","","Choe, Wonyoung; Miller, Gordon J.; Meyers, John; Chumbley, Scott; Pecharsky, A. O.","""Nanoscale Zippers"" in the Crystalline Solid: Structural Variations in the Magnetocaloric Material Gd5(Si1.5Ge2.5)","Chemistry of Materials","2003","","","","","10.1021/cm020928l","","","0.71073","MoKα","","0.047","0.0403","","","0.0944","0.0971","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000265","7.0089","0.0014","5.9412","0.0012","8.3339","0.0017","90","","90","","90","","347.03","0.12","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","lead iron oxyborate","lead iron boron tetraoxide","","- B Fe O4 Pb -","- B Fe O4 Pb -","- B4 Fe4 O16 Pb4 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm0217452","","","0.71073","MoKα","","0.0326","0.0263","","","0.0603","0.0617","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000266","6.7062","0.0009","5.9429","0.0008","8.6418","0.0011","90","","90","","90","","344.41","0.08","299","2","299","2","","","","","","","","4","P n m a","-P 2ac 2n","62","lead manganese oxyborate","lead manganese boron tetraoxide","","- B Mn O4 Pb -","- B Mn O4 Pb -","- B4 Mn4 O16 Pb4 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm0217452","","","0.71073","MoKα","","0.0229","0.0222","","","0.0532","0.0536","","","","","","1.21","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000287","4.013","0.004","12.539","0.002","25.62","0.002","90","","90","","90","","1289","1","296.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H4 I1.27 S2 Se4 -","- C7 H4 I1.28 S2 Se4 -","- C28 H16 I5.12 S8 Se16 -","4","0.5","","","","Chemistry of Materials","2003","","","","","","","","0.7107","MoKα","","","0.0527","","","","0.0506","","","","","","1.372","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000288","4.01","0.002","12.543","0.002","25.584","0.002","90","","90","","90","","1286.7","0.5","296.2","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H4 Br0.08 I1.19 S2 Se4 -","- C7 H4 I1.24 S2 Se4 -","- C28 H16 I4.96 S8 Se16 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm034222i","","","0.7107","MoKα","","","0.0269","","","","0.0235","","","","","","1.662","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000289","4.026","0.008","12.515","0.002","25.315","0.003","90","","90","","90","","1275","1","296.2","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H4 Br0.52 I0.77 S2 Se4 -","- C7 H4 I1.12 S2 Se4 -","- C28 H16 I4.48 S8 Se16 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm034222i","","","0.7107","MoKα","","","0.0314","","","","0.0449","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000290","4.012","0.006","12.546","0.003","25.635","0.005","90","","90","","90","","1290","2","296.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H4 I1.27 S2 Se4 -","- C7 H4 I1.26 S2 Se4 -","- C28 H16 I5.04 S8 Se16 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm034222i","","","0.7107","MoKα","","","0.0475","","","","0.0613","","","","","","1.277","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000292","14.6228","0.0009","5.5972","0.0004","17.644","0.001","90","","90","","90","","1444.1","0.2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Sb7.73 Ti10.84 -","- Sb7.734 Ti10.838 -","- Sb30.936 Ti43.352 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm034328d","","","0.71073","MoKα","","0.0772","0.0267","","0.0413","0.0361","","","","0.497","0.655","0.655","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000386","10.045","0.0004","12.337","0.0005","4.93214","0.0002","90","","90","","90","","611.22","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Be2 F7 H4 Li2 N -","- Be8 F28 H16 Li8 N4 -","- Be8 F28 H16 Li8 N4 -","","","","Gerrard; Lee A.; Weller; Mark T.","Li2Be2F7NH4 RT Polaris Neutron Data","Chemistry of Materials","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000387","10.024","0.002","12.288","0.003","4.9371","0.0007","90","","90","","90","","608.1","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Ammonium Lithium Pyrofluoroberyllate","","","- Be2 F7 H4 Li2 N -","- Be2 F7 H4 Li2 N -","- Be8 F28 H16 Li8 N4 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm035316v","","","0.71073","MoKα","","0.1493","0.0463","","","0.0819","0.1076","","","","","","0.873","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000416","22.13","0.002","7.5101","0.0008","7.6858","0.0008","90","","90","","90","","1277.4","0.2","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","guanidinium propylbenzenesulfonate","","","- C10 H17 N3 O3 S -","- C10 H17 N3 O3 S -","- C40 H68 N12 O12 S4 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.091","0.066","","","0.1878","0.2002","","","","","","1.135","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000417","24.773","0.002","7.5708","0.0006","22.3375","0.0019","90","","90","","90","","4189.5","0.6","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","03066","","","- C11 H19 N3 O3 S -","- C11.5667 H19 N3 O3 S -","- C138.8 H228 N36 O36 S12 -","12","1.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.0645","0.0496","","","0.1317","0.1418","","","","","","1.01","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000481","3.993","0.005","12.448","0.004","25.119","0.005","90","","90","","90","","1248","1","296.2","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H4 Au0.44 I0.88 S4 Se2 -","- C7 H4 Au S4 Se2 -","- C28 H16 Au4 S16 Se8 -","4","0.5","","Kazuo Takimiya","","Chemistry of Materials","2004","","","","","10.1021/cm049144t","","","0.7107","MoKα","","","0.0309","","","","0.038","","","","","","1.422","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000512","15.216","0.005","3.4631","0.0011","15.057","0.005","90","","90","","90","","793.5","0.4","175","5","175","5","","","","","","","","4","P n m a","-P 2ac 2n","62","Thallium Nickel Titanium Sulfide","","","- Ni4 S20 Ti8 Tl6.69 -","- Ni4 S20 Ti8 Tl6.688 -","- Ni4 S20 Ti8 Tl6.688 -","1","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000540","9.0026","0.0004","3.0461","0.0002","10.7268","0.0005","90","","90","","90","","294.16","0.03","","","","","","","","","Prepared at 6 GPa and 1500C for 1hr","Prepared at 6 GPa","","3","P n m a","-P 2ac 2n","62","","","","- Na O4 Rh2 -","- Na O4 Rh2 -","- Na4 O16 Rh8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm0483846","","","","","","","","","","","","","","","","","","","","","has coordinates","208200","2020-10-21","18:00:00",""
"4000544","9.0354","0.0003","3.034","0.0001","10.7062","0.0003","90","","90","","90","","293.49","0.02","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca O4 Rh2 -","- Ca O4 Rh2 -","- Ca4 O16 Rh8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm0483846","","","","","","","","","","","","","","","","","","","","","has coordinates","208200","2020-10-21","18:00:00",""
"4000612","12.7484","0.0014","24.891","0.003","9.2115","0.001","90","","90","","90","","2923","0.5","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba7 Se13 Sn3 -","- Ba7 Se13 Sn3 -","- Ba28 Se52 Sn12 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm050787y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000613","12.9596","0.0006","25.2417","0.0011","9.292","0.0004","90","","90","","90","","3039.6","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba7 Se10.76 Sn3 Te2.24 -","- Ba7 Se10.755 Sn3 Te2.245 -","- Ba28 Se43.02 Sn12 Te8.98 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm050787y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000614","12.9244","0.0006","25.1831","0.0012","9.2746","0.0004","90","","90","","90","","3018.7","0.2","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba7 Se11.24 Sn3 Te1.75 -","- Ba7 Se11.243 Sn3 Te1.757 -","- Ba28 Se44.972 Sn12 Te7.028 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm050787y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000615","12.845","0.003","25.098","0.006","9.2421","0.0015","90","","90","","90","","2979.6","1.1","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba7 Se11.9 Sn3 Te1.1 -","- Ba7 Se11.897 Sn3 Te1.103 -","- Ba28 Se47.588 Sn12 Te4.412 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm050787y","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000681","7.3474","0.0002","28.7742","0.0009","15.6631","0.0004","90","","90","","90","","3311.42","0.16","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","2,7-Bis(3,4,5-trimethoxyphenylethenyl)-9,9-diethylfluorene","","","- C39 H42 O6 -","- C39.1 H32 O6 -","- C156.4 H128 O24 -","4","0.5","","Hemali P. Rathnayake; Ali Cirpan; Paul M. Lahti; Frank E. Karasz","Optimizing LED Properties of 2,7-Bis(phenylethenyl)fluorenes","Chem. Mater.","2006","18","2","560","566","10.1021/cm052144o","","","0.71073","MoKα","","0.1025","0.0713","","","0.1595","0.1754","","","","","","1.094","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000742","11.5616","0.0013","3.9304","0.0004","16.8423","0.0018","90","","90","","90","","765.34","0.14","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","cerium ytterbium copper sulfide","","","- Ce2 Cu S5 Yb -","- Ce2 Cu S5 Yb -","- Ce8 Cu4 S20 Yb4 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Interlanthanide Copper Chalcogenides Ln2YbCuQ5(Ln = La, Ce, Pr, Nd, Sm; Q = S, Se): Evidence for Unusual Magnetic Ordering in Sm2YbCuS5","Chemistry of Materials","2011","23","5","1306","","10.1021/cm103347u","","","0.71073","MoKα","","0.0269","0.0242","","","0.0579","0.0588","","","","","","1.104","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000743","12.1113","0.0007","4.078","0.0003","17.5714","0.0011","90","","90","","90","","867.85","0.1","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","cerium ytterbium copper selenide","","","- Ce2 Cu Se5 Yb -","- Ce2 Cu Se5 Yb -","- Ce8 Cu4 Se20 Yb4 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Interlanthanide Copper Chalcogenides Ln2YbCuQ5(Ln = La, Ce, Pr, Nd, Sm; Q = S, Se): Evidence for Unusual Magnetic Ordering in Sm2YbCuS5","Chemistry of Materials","2011","23","5","1306","","10.1021/cm103347u","","","0.71073","MoKα","","0.0316","0.029","","","0.0745","0.0757","","","","","","1.069","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000744","11.615","0.004","3.9662","0.0013","16.923","0.006","90","","90","","90","","779.6","0.5","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","lanthanum ytterbium copper sulfide","","","- Cu La2 S5 Yb -","- Cu La2 S5 Yb -","- Cu4 La8 S20 Yb4 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Interlanthanide Copper Chalcogenides Ln2YbCuQ5(Ln = La, Ce, Pr, Nd, Sm; Q = S, Se): Evidence for Unusual Magnetic Ordering in Sm2YbCuS5","Chemistry of Materials","2011","23","5","1306","","10.1021/cm103347u","","","0.71073","MoKα","","0.0286","0.0261","","","0.0617","0.0628","","","","","","1.073","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000745","12.1326","0.0011","4.1119","0.0004","17.6653","0.0016","90","","90","","90","","881.29","0.14","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","lanthanum ytterbium copper selenide","","","- Cu La2 Se5 Yb -","- Cu La2 Se5 Yb -","- Cu4 La8 Se20 Yb4 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Interlanthanide Copper Chalcogenides Ln2YbCuQ5(Ln = La, Ce, Pr, Nd, Sm; Q = S, Se): Evidence for Unusual Magnetic Ordering in Sm2YbCuS5","Chemistry of Materials","2011","23","5","1306","","10.1021/cm103347u","","","0.71073","MoKα","","0.046","0.0369","","","0.0936","0.0966","","","","","","1.119","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000746","11.5323","0.0008","3.8531","0.0003","16.647","0.0012","90","","90","","90","","739.71","0.09","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","samarium ytterbium copper sulfide","","","- Cu S5 Sm2 Yb -","- Cu S5 Sm2 Yb -","- Cu4 S20 Sm8 Yb4 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Interlanthanide Copper Chalcogenides Ln2YbCuQ5(Ln = La, Ce, Pr, Nd, Sm; Q = S, Se): Evidence for Unusual Magnetic Ordering in Sm2YbCuS5","Chemistry of Materials","2011","23","5","1306","","10.1021/cm103347u","","","0.71073","MoKα","","0.0286","0.0263","","","0.0655","0.0665","","","","","","1.133","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000786","10.452","","6.391","","10.874","","90","","90","","90","","726.369","","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Co F0 Li2 O5 P -","- Co F Li2 O4 P -","- Co8 F8 Li16 O32 P8 -","8","1","","Hadermann, Joke; Abakumov, Artem M.; Turner, Stuart; Hafideddine, Zainab; Khasanova, Nellie R.; Antipov, Evgeny V.; Van Tendeloo, Gustaaf","Solving the Structure of Li Ion Battery Materials with Precession Electron Diffraction: Application to Li2CoPO4F","Chemistry of Materials","2011","23","15","3540","","10.1021/cm201257b","","","0.025","726.3693","","0.244","0.2421","","","0.2371","0.2371","","","","9.11","9.11","8.82","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000812","5.60125","0.00009","15.661","0.0002","11.25153","0.00017","90","","90","","90","","987","0.03","0","","0","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi Fe0.75 Mn0.25 O3 -","- Bi Fe0.75 Mn0.25 O3 -","- Bi16 Fe12 Mn4 O48 -","16","2","","Belik, Alexei A.; Abakumov, Artem M.; Tsirlin, Alexander A.; Hadermann, Joke; Kim, Jungeun; Van Tendeloo, Gustaaf; Takayama-Muromachi, Eiji","Structure and Magnetic Properties of BiFe0.75Mn0.25O3Perovskite Prepared at Ambient and High Pressure","Chemistry of Materials","2011","23","20","4505","","10.1021/cm201774y","powder diffraction","","0.41916","X-ray","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000871","5.0575","0.0004","10.4562","0.001","17.5105","0.0017","90","","90","","90","","925.99","0.15","299","2","299","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3 Mo3 O12 V -","- Li2.96 Mo3 O12 V1.044 -","- Li11.84 Mo12 O48 V4.176 -","4","0.5","","Mikhailova, D.; Sarapulova, A.; Voss, A.; Thomas, A.; Oswald, S.; Gruner, W.; Trots, D. M.; Bramnik, N. N.; Ehrenberg, H.","Li3V(MoO4)3: A New Material for Both Li Extraction and Insertion","Chemistry of Materials","2010","22","10","3165","","10.1021/cm100213a","","","0.71073","MoKα","","0.0282","0.0248","","","0.0757","0.0775","","","","","","1.133","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000892","12.057","0.004","3.7374","0.0013","11.694","0.003","90","","90","","90","","527","0.3","300","2","300","2","","","","","","","","4","P n m a","-P 2ac 2n","62","CaCr0.84Fe3.16As3","","","- As3 Ca Cr0.84 Fe3.16 -","- As3 Ca Cr0.836 Fe3.164 -","- As12 Ca4 Cr3.344 Fe12.656 -","4","0.5","","Todorov, Iliya; Chung, Duck Young; Claus, Helmut; Gray, Kenneth E.; Li, Qing’an; Schleuter, John; Bakas, Thomas; Douvalis, Alexios P.; Gutmann, Matthias; Kanatzidis, Mercouri G.","Selective Substitution of Cr in CaFe4As3and Its Effect on the Spin Density Wave","Chemistry of Materials","2010","22","17","4996","","10.1021/cm1012679","","neutron","","neutron","","0.0747","0.0747","","","0.1825","0.1825","","","","","","1.06","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000893","12.022","0.004","3.7211","0.0015","11.652","0.003","90","","90","","90","","521.3","0.3","300","2","300","2","","","","","","","","4","P n m a","-P 2ac 2n","62","CaCr0.84Fe3.16As3","","","- As3 Ca Cr0.84 Fe3.16 -","- As3 Ca Cr0.844 Fe3.156 -","- As12 Ca4 Cr3.376 Fe12.624 -","4","0.5","","Todorov, Iliya; Chung, Duck Young; Claus, Helmut; Gray, Kenneth E.; Li, Qing’an; Schleuter, John; Bakas, Thomas; Douvalis, Alexios P.; Gutmann, Matthias; Kanatzidis, Mercouri G.","Selective Substitution of Cr in CaFe4As3and Its Effect on the Spin Density Wave","Chemistry of Materials","2010","22","17","4996","","10.1021/cm1012679","","neutron","","neutron","","0.0803","0.0803","","","0.1974","0.1974","","","","","","1.076","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000894","10.4063","0.0006","6.2187","0.0003","4.9469","0.0003","90","","90","","90","","320.13","0.03","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","sodium iron phosphate","","- Fe Na O4 P -","- Fe Na1.003 O4 P -","- Fe4 Na4.012 O16 P4 -","4","0.5","","Moreau, P.; Guyomard, D.; Gaubicher, J.; Boucher, F.","Structure and Stability of Sodium Intercalated Phases in Olivine FePO4","Chemistry of Materials","2010","22","14","4126","","10.1021/cm101377h","powder diffraction","","1.5418","CuKα","","0.0163","0.0163","","","0.0183","0.0183","","0.0258","1.18","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000895","10.2886","0.0007","6.0822","0.0004","4.9372","0.0004","90","","90","","90","","308.96","0.04","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","sodium iron phosphate","","- Fe Na0.71 O4 P -","- Fe Na0.71 O4 P -","- Fe4 Na2.84 O16 P4 -","4","0.5","","Moreau, P.; Guyomard, D.; Gaubicher, J.; Boucher, F.","Structure and Stability of Sodium Intercalated Phases in Olivine FePO4","Chemistry of Materials","2010","22","14","4126","","10.1021/cm101377h","powder diffraction","","1.5418","CuKα","","0.0145","0.0145","","","0.0175","0.0175","","0.026","1.37","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000916","13.888","0.003","6.9629","0.0014","18.451","0.003","90","","90","","90","","1784.2","0.6","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H24 N6 Ni O2 S2 -","- C12 H24 N6 Ni O2 S2 -","- C48 H96 N24 Ni4 O8 S8 -","4","0.5","","Ramasamy, Karthik; Malik, Mohammad A.; O’Brien, Paul; Raftery, James; Helliwell, Madeleine","Nickel Sulfide Thin Films from Thio- and Dithiobiuret Precursors","Chemistry of Materials","2010","22","23","6328","","10.1021/cm102140t","","","0.71073","MoKα","","0.0904","0.0643","","","0.1193","0.1288","","","","","","1.16","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000953","7.441","0.002","4.41","0.0014","8.292","0.003","90","","90","","90","","272.1","0.15","100","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","calcium-magnesium silicide","calcium-magnesium silicide","","- Ca Mg Si -","- Ca Mg Si -","- Ca4 Mg4 Si4 -","4","0.5","","Whalen, Jeffrey B.; Zaikina, Julia V.; Achey, Randall; Stillwell, Ryan; Zhou, Haidong; Wiebe, Christopher R.; Latturner, Susan E.","Metal to Semimetal Transition in CaMgSi Crystals Grown from Mg−Al Flux","Chemistry of Materials","2010","22","5","1846","","10.1021/cm9033275","","","0.71073","MoKα","","0.0153","0.0147","","","0.04","0.0401","","","","","","1.168","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000954","7.4752","0.0002","4.4272","0.0001","8.3149","0.0002","90","","90","","90","","275.175","0.012","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","calcium-magnesium silicide","calcium-magnesium silicide","","- Ca Mg Si -","- Ca Mg Si -","- Ca4 Mg4 Si4 -","4","0.5","","Whalen, Jeffrey B.; Zaikina, Julia V.; Achey, Randall; Stillwell, Ryan; Zhou, Haidong; Wiebe, Christopher R.; Latturner, Susan E.","Metal to Semimetal Transition in CaMgSi Crystals Grown from Mg−Al Flux","Chemistry of Materials","2010","22","5","1846","","10.1021/cm9033275","","","0.71073","MoKα","","0.0272","0.021","","","0.046","0.048","","","","","","1.05","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001044","3.986","0.003","12.488","0.001","25.251","0.002","90","","90","","90","","1256.9","1","296.2","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H4 Br0.41 I0.85 S4 Se2 -","- C5.5 H3 I1.14 S4 Se2 -","- C22 H12 I4.56 S16 Se8 -","4","0.5","","Bando, Yoshimasa; Kawamoto, Tadashi; Mori, Takehiko; Kakiuchi, Toru; Sawa, Hiroshi; Takimiya, Kazuo; Otsubo, Tetsuo","Organic Superconductivity Enhanced by Asymmetric-Anion Random Potential in (MDT-TS)I0.85Br0.41[MDT-TS = 5H-2-(1,3-diselenole-2-ylidene)-1,3,4,6-tetrathiapentalene]","Chemistry of Materials","2009","21","15","3521","","10.1021/cm901456j","","","0.7107","MoKα","","","0.0325","","","","0.0301","","","","","","1.303","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001180","15.442","0.003","7.889","0.002","26.089","0.004","90","","90","","90","","3178.2","1.1","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag19 Br5.438 I1.562 Te6 -","- Ag18.987 Br5.43 I1.57 Te6 -","- Ag75.948 Br21.72 I6.28 Te24 -","4","0.5","","Nilges, Tom; Messel, Julia; Bawohl, Melanie; Lange, Stefan","Silver(I) Chalcogenide Halides Ag19Te6Br7, Ag19Te6Br5.4I1.6, and Ag19Te5SeBr7","Chemistry of Materials","2008","20","12","4080","","10.1021/cm800425u","","","0.71073","MoKα","","0.1596","0.0417","","","0.0498","0.0667","","","","1.57","1.57","0.84","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001252","17.257","0.003","4.1599","0.0006","17.49","0.003","90","","90","","90","","1255.6","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 In5 P5 -","- Ba2 In5 P5 -","- Ba8 In20 P20 -","4","0.5","","Mathieu, Josiah; Achey, Randall; Park, Ju-Hyun; Purcell, Kenneth M.; Tozer, Stanley W.; Latturner, Susan E.","Flux Growth and Electronic Properties of Ba2In5Pn5(Pn = P, As): Zintl Phases Exhibiting Metallic Behavior","Chemistry of Materials","2008","20","17","5675","","10.1021/cm8015353","","","0.71073","MoKα","","0.0464","0.0376","","","0.069","0.0718","","","","","","1.196","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001253","17.4609","0.0015","4.2905","0.0004","17.9614","0.0015","90","","90","","90","","1345.6","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- As5 Ba2 In5 -","- As5 Ba2 In5 -","- As20 Ba8 In20 -","4","0.5","","Mathieu, Josiah; Achey, Randall; Park, Ju-Hyun; Purcell, Kenneth M.; Tozer, Stanley W.; Latturner, Susan E.","Flux Growth and Electronic Properties of Ba2In5Pn5(Pn = P, As): Zintl Phases Exhibiting Metallic Behavior","Chemistry of Materials","2008","20","17","5675","","10.1021/cm8015353","","","0.71073","MoKα","","0.0404","0.039","","","0.0844","0.085","","","","","","1.347","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001267","10.32421","0.00013","6.00449","0.00007","4.6983","0.00006","90","","90","","90","","291.255","0.006","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Fe0.99 Li0.9 O4 P Zr0.03 -","- Fe0.987 Li0.8953 O4 P Zr0.0316 -","- Fe3.948 Li3.5812 O16 P4 Zr0.1264 -","4","0.5","","Wagemaker, Marnix; Ellis, Brian L.; Lützenkirchen-Hecht, Dirk; Mulder, Fokko M.; Nazar, Linda F.","Proof of Supervalent Doping in Olivine LiFePO4","Chemistry of Materials","2008","20","20","6313","","10.1021/cm801781k","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001268","9.81363","","5.81776","","4.78301","","90","","90","","90","","273.078","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Fe1.08 O4 P -","- Fe1.08312 O4 P -","- Fe4.33248 O16 P4 -","4","0.5","","Wagemaker, Marnix; Ellis, Brian L.; Lützenkirchen-Hecht, Dirk; Mulder, Fokko M.; Nazar, Linda F.","Proof of Supervalent Doping in Olivine LiFePO4","Chemistry of Materials","2008","20","20","6313","","10.1021/cm801781k","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001269","10.31181","0.00016","5.99753","0.0001","4.69673","0.00007","90","","90","","90","","290.471","0.008","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Fe0.99 Li0.97 O4 P Zr0.01 -","- Fe0.993 Li0.973 O4 P Zr0.0085 -","- Fe3.972 Li3.892 O16 P4 Zr0.034 -","4","0.5","","Wagemaker, Marnix; Ellis, Brian L.; Lützenkirchen-Hecht, Dirk; Mulder, Fokko M.; Nazar, Linda F.","Proof of Supervalent Doping in Olivine LiFePO4","Chemistry of Materials","2008","20","20","6313","","10.1021/cm801781k","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001274","17.6356","0.0005","48.0644","0.0013","24.5539","0.0007","90","","90","","90","","20813","1","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","TIF-2","TIF-2","","- C10.46 H15 N4 Zn -","- C10.6317 N4 Zn -","- C510.32 N192 Zn48 -","48","6","","Wu, Tao; Bu, Xianhui; Zhang, Jian; Feng, Pingyun","New Zeolitic Imidazolate Frameworks: From Unprecedented Assembly of Cubic Clusters to Ordered Cooperative Organization of Complementary Ligands","Chemistry of Materials","2008","20","24","7377","","10.1021/cm802400f","","","0.71073","MoKα","","0.14","0.0955","","","0.2511","0.2742","","","","","","1.077","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001280","8.155","0.002","13.526","0.006","5.9648","0.0015","90","","90","","90","","657.9","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- S3 Te Tl2 -","- S3 Te Tl2 -","- S12 Te4 Tl8 -","4","0.5","","Rieger, Franziska; Mudring, Anja-Verena","Synthesis, Structure, and Electronic and Physical Properties of Tl2TeS3, the First Characterized Thallium(I) Thiotellurate(IV)","Chemistry of Materials","2007","19","2","221","","10.1021/cm0526866","","","0.71073","MoKα","","0.1088","0.0541","","","0.0997","0.1136","","","","","","0.891","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001286","7.4158","0.0009","4.618","0.0009","7.8577","0.0008","90","","90","","90","","269.1","0.07","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ce Rh Sb -","- Ce Rh Sb -","- Ce4 Rh4 Sb4 -","4","0.5","","Chevalier, B.; Decourt, R.; Heying, B.; Schappacher, F. M.; Rodewald, U. Ch.; Hoffmann, R.-D.; Pöttgen, R.; Eger, R.; Simon, A.","Inducing Magnetism in the Kondo Semiconductor CeRhSb through Hydrogenation: Antiferromagnetic Behavior of the New Hydride CeRhSbH0.2","Chemistry of Materials","2007","19","1","28","","10.1021/cm062168a","","","0.71073","MoKα","","0.0661","0.0434","","","0.0873","0.096","","","","","","1.193","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001287","7.422","0.002","4.625","0.002","7.877","0.002","90","","90","","90","","270.39","0.15","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ce Rh Sb -","- Ce Rh Sb -","- Ce4 Rh4 Sb4 -","4","0.5","","Chevalier, B.; Decourt, R.; Heying, B.; Schappacher, F. M.; Rodewald, U. Ch.; Hoffmann, R.-D.; Pöttgen, R.; Eger, R.; Simon, A.","Inducing Magnetism in the Kondo Semiconductor CeRhSb through Hydrogenation: Antiferromagnetic Behavior of the New Hydride CeRhSbH0.2","Chemistry of Materials","2007","19","1","28","","10.1021/cm062168a","","","0.71073","MoKα","","0.0723","0.0561","","","0.1409","0.1444","","","","","","1.224","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001290","16.4891","0.0009","3.9705","0.0002","21.1266","0.0011","90","","90","","90","","1383.16","0.13","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","cerium erbium sulfide","","","- Ce3 Er3 S9 -","- Ce3 Er3 S9 -","- Ce12 Er12 S36 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Bray, Travis H.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Mixed-Lanthanide Sulfides γ-LnLn‘S3(Ln = La, Ce; Ln‘ = Er, Tm, Yb)","Chemistry of Materials","2007","19","3","567","","10.1021/cm062349c","","","0.71073","MoKα","","0.0292","0.027","","","0.0667","0.0675","","","","","","1.108","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001291","16.4591","0.0013","3.9704","0.0003","21.0908","0.0017","90","","90","","90","","1378.27","0.19","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","cerium thulium sulfide","","","- Ce3 S9 Tm3 -","- Ce3 S9 Tm3 -","- Ce12 S36 Tm12 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Bray, Travis H.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Mixed-Lanthanide Sulfides γ-LnLn‘S3(Ln = La, Ce; Ln‘ = Er, Tm, Yb)","Chemistry of Materials","2007","19","3","567","","10.1021/cm062349c","","","0.71073","MoKα","","0.0338","0.03","","","0.0719","0.0735","","","","","","1.071","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001292","16.3678","0.001","3.9562","0.0002","21.0577","0.0012","90","","90","","90","","1363.58","0.13","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","cerium ytterbium sulfide","","","- Ce3 S9 Yb3 -","- Ce3 S9 Yb3 -","- Ce12 S36 Yb12 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Bray, Travis H.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Mixed-Lanthanide Sulfides γ-LnLn‘S3(Ln = La, Ce; Ln‘ = Er, Tm, Yb)","Chemistry of Materials","2007","19","3","567","","10.1021/cm062349c","","","0.71073","MoKα","","0.0297","0.0286","","","0.0798","0.0803","","","","","","1.196","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001293","16.5102","0.001","3.9963","0.0002","21.2597","0.0013","90","","90","","90","","1402.71","0.14","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","lanthanum erbium sulfide","","","- Er3 La3 S9 -","- Er3 La3 S9 -","- Er12 La12 S36 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Bray, Travis H.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Mixed-Lanthanide Sulfides γ-LnLn‘S3(Ln = La, Ce; Ln‘ = Er, Tm, Yb)","Chemistry of Materials","2007","19","3","567","","10.1021/cm062349c","","","0.71073","MoKα","","0.0328","0.0297","","","0.068","0.0692","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001294","16.45","0.0009","3.9877","0.0002","21.2148","0.0012","90","","90","","90","","1391.64","0.13","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","lanthanum thulium sulfide","","","- La3 S9 Tm3 -","- La3 S9 Tm3 -","- La12 S36 Tm12 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Bray, Travis H.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Mixed-Lanthanide Sulfides γ-LnLn‘S3(Ln = La, Ce; Ln‘ = Er, Tm, Yb)","Chemistry of Materials","2007","19","3","567","","10.1021/cm062349c","","","0.71073","MoKα","","0.0338","0.0282","","","0.0727","0.0744","","","","","","1.069","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001295","16.41","0.0013","3.9847","0.0003","21.2015","0.0017","90","","90","","90","","1386.34","0.19","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","lanthanum ytterbium sulfide","","","- La3 S9 Yb3 -","- La3 S9 Yb3 -","- La12 S36 Yb12 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Bray, Travis H.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Mixed-Lanthanide Sulfides γ-LnLn‘S3(Ln = La, Ce; Ln‘ = Er, Tm, Yb)","Chemistry of Materials","2007","19","3","567","","10.1021/cm062349c","","","0.71073","MoKα","","0.0383","0.0328","","","0.066","0.0672","","","","","","1.116","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001472","8.731","0.0004","25.416","0.001","9.5516","0.0006","90","","90","","90","","2119.57","0.18","293.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H10 I6 N2 Sn -","- C10 I6 N2 Sn -","- C40 I24 N8 Sn4 -","4","0.5","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.0548","","","","0.1497","","","","","","1.957","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001491","9.585","0.0019","3.991","0.0008","12.443","0.003","90","","90","","90","","475.99","0.18","293.15","","293.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cd Cl S2 Sb -","- Cd Cl S2 Sb -","- Cd4 Cl4 S8 Sb4 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.0246","0.0201","","","0.042","0.0431","","","","","","1.135","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001493","9.541","0.002","3.97","0.0008","12.545","0.003","90","","90","","90","","475.18","0.18","293.15","","293.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","Cadimum Bismuth Sulfochloride","","","- Bi Cd Cl S2 -","- Bi Cd Cl S2 -","- Bi4 Cd4 Cl4 S8 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.0263","0.0259","","","0.0603","0.0604","","","","","","1.113","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001495","10.025","0.002","4.119","0.0008","13.143","0.003","90","","90","","90","","542.7","0.2","293.15","","293.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi Br Cd Se2 -","- Bi Br Cd Se2 -","- Bi4 Br4 Cd4 Se8 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.0291","0.0258","","","0.0576","0.0588","","","","","","1.012","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001608","10.5825","0.0019","15.134","0.003","8.1425","0.0014","90","","90","","90","","1304.1","0.4","293","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cr2 H8 Mg O16 U2 -","- Cr2 Mg O16 U2 -","- Cr8 Mg4 O64 U8 -","4","0.5","","Locock, A. J.; Skanthakumar, S.; Burns, P. C.; Soderholm, L.","Syntheses, Structures, Magnetic Properties, and X-ray Absorption Spectra of Carnotite-type Uranyl Chromium(V) Oxides: A[(UO2)2Cr2O8](H2O)n(A = K2, Rb2, Cs2, Mg;n= 0, 4)","Chemistry of Materials","2004","16","7","1384","","10.1021/cm030639c","","","0.71073","MoKα","","","0.0511","","","","0.1334","","","","","","0.773","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001611","6.8297","0.0004","16.6725","0.0009","14.2487","0.0008","90","","90","","90","","1622.47","0.16","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ce2 I6 O19 -","- Ce2 I6 O19 -","- Ce8 I24 O76 -","4","0.5","","Sykora, Richard E.; Deakin, Laura; Mar, Arthur; Skanthakumar, S.; Soderholm, L.; Albrecht-Schmitt, Thomas E.","Isolation of Intermediate-Valent Ce(III)/Ce(IV) Hydrolysis Products in the Preparation of Cerium Iodates: Electronic and Structural Aspects of Ce2(IO3)6(OHx) (x≈ 0 and 0.44)","Chemistry of Materials","2004","16","7","1343","","10.1021/cm035147e","","","0.71073","MoKα","","0.0174","0.016","","","0.0375","0.038","","","","","","1.18","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001612","6.8534","0.0004","16.9885","0.001","14.2404","0.0008","90","","90","","90","","1658","0.17","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ce2 H0.5 I6 O19 -","- Ce2 I6 O19 -","- Ce8 I24 O76 -","4","0.5","","Sykora, Richard E.; Deakin, Laura; Mar, Arthur; Skanthakumar, S.; Soderholm, L.; Albrecht-Schmitt, Thomas E.","Isolation of Intermediate-Valent Ce(III)/Ce(IV) Hydrolysis Products in the Preparation of Cerium Iodates: Electronic and Structural Aspects of Ce2(IO3)6(OHx) (x≈ 0 and 0.44)","Chemistry of Materials","2004","16","7","1343","","10.1021/cm035147e","","","0.71073","MoKα","","0.0303","0.0302","","","0.0646","0.0646","","","","","","1.563","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001651","24.006","0.012","4.291","0.002","14.258","0.007","90","","90","","90","","1468.7","1.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi3.75 Cs0.75 Se3.3 Te2.7 -","- Bi3.75 Cs0.75 Se3.31 Te2.69 -","- Bi15 Cs3 Se13.24 Te10.76 -","4","0.5","","Chung, Duck Young; Uher, Ctirad; Kanatzidis, Mercouri G.","Sb and Se Substitution in CsBi4Te6: The Semiconductors CsM4Q6(M = Bi, Sb; Q = Te, Se), Cs2Bi10Q15, and CsBi5Q8","Chemistry of Materials","2012","24","10","1854","","10.1021/cm300490v","","","0.71073","MoKα","","0.118","0.0537","","","0.1195","0.149","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001665","13.812","0.003","7.9624","0.0016","6.37","0.0013","90","","90","","90","","700.6","0.3","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Li4 S4 Sn -","- Li4 S4 Sn -","- Li16 S16 Sn4 -","4","0.5","","Kaib, Thomas; Haddadpour, Sima; Kapitein, Manuel; Bron, Philipp; Schröder, Cornelia; Eckert, Hellmut; Roling, Bernhard; Dehnen, Stefanie","New Lithium Chalcogenidotetrelates, LiChT: Synthesis and Characterization of the Li±Conducting Tetralithiumortho-Sulfidostannate Li4SnS4","Chemistry of Materials","2012","24","11","2211","","10.1021/cm3011315","","","0.71073","MoKα","","0.0531","0.0362","","","0.0801","0.0849","","","","","","0.948","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001740","6.9501","","5.941","","8.1386","","90","","90","","90","","336.047","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pb (Cr B O4)","","- B Cr O4 Pb -","- B Cr O4 Pb -","- B4 Cr4 O16 Pb4 -","4","0.5","","Greedan, J.E.; Barbier, J.; Lam, R.; Park, H.","Synthesis, crystal structure, crystal chemistry and magnetic properties of Pb M B O4 (M = Cr, Mn, Fe): a new structure type exhibiting one-dimensional magnetism","Chemistry of Materials (1,1989-)","2003","15","","1703","1712","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001746","6.702","","5.9226","","8.577","","90","","90","","90","","340.449","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pb Mn O (B O3)","","- B Mn O4 Pb -","- B Mn O4 Pb -","- B4 Mn4 O16 Pb4 -","4","0.5","","Lam, R.; Barbier, J.; Park, H.; Greedan, J.E.","Synthesis, crystal structure, crystal chemistry and magnetic properties of Pb M B O4 (M = Cr, Mn, Fe): a new structure type exhibiting one-dimensional magnetism","Chemistry of Materials (1,1989-)","2003","15","","1703","1712","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001781","14.931","0.003","8.2217","0.0016","6.5989","0.0013","90","","90","","90","","810.1","0.3","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Li4 Se4 Sn -","- Li4 Se4 Sn -","- Li16 Se16 Sn4 -","4","0.5","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0517","0.049","","","0.1367","0.139","","","","","","1.13","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001804","8.9903","0.0008","6.8681","0.0006","5.0441","0.0005","90","","90","","90","","311.45","0.05","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Na O4 P -","- Fe Na O4 P -","- Fe4 Na4 O16 P4 -","4","0.5","","Barpanda, Prabeer; Liu, Guandong; Ling, Chris D.; Tamaru, Mao; Avdeev, Maxim; Chung, Sai-Cheong; Yamada, Yuki; Yamada, Atsuo","Na2FeP2O7: A Safe Cathode for Rechargeable Sodium-ion Batteries","Chemistry of Materials","2013","25","17","3480","","10.1021/cm401657c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001831","6.729","0.0003","26.7472","0.0012","7.7813","0.0004","90","","90","","90","","1400.49","0.11","296","","296","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H12 Se -","- C20 H12 Se -","- C80 H48 Se4 -","4","0.5","","Mitsui, Chikahiko; Okamoto, Toshihiro; Matsui, Hiroyuki; Yamagishi, Masakazu; Matsushita, Takeshi; Soeda, Junshi; Miwa, Kazumoto; Sato, Hiroyasu; Yamano, Akihito; Uemura, Takafumi; Takeya, Jun","Dinaphtho[1,2-b:2′,1′-d]chalcogenophenes: Comprehensive Investigation of the Effect of the Chalcogen Atoms in the Phenacene-Type π-Electronic Cores","Chemistry of Materials","2013","25","20","3952","","10.1021/cm303376g","","","0.71075","MoKα","","","0.0629","","","","0.1654","","","","","","1.124","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001832","6.9337","0.0017","26.576","0.007","7.5281","0.0018","90","","90","","90","","1387.2","0.6","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H12 S -","- C20 H12 S -","- C80 H48 S4 -","4","0.5","","Mitsui, Chikahiko; Okamoto, Toshihiro; Matsui, Hiroyuki; Yamagishi, Masakazu; Matsushita, Takeshi; Soeda, Junshi; Miwa, Kazumoto; Sato, Hiroyasu; Yamano, Akihito; Uemura, Takafumi; Takeya, Jun","Dinaphtho[1,2-b:2′,1′-d]chalcogenophenes: Comprehensive Investigation of the Effect of the Chalcogen Atoms in the Phenacene-Type π-Electronic Cores","Chemistry of Materials","2013","25","20","3952","","10.1021/cm303376g","","","0.71075","MoKα","","","0.0983","","","","0.2875","","","","","","0.992","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001845","10.336","0.0002","6.006","0.0003","4.6932","0.0005","90","","90","","90","","291.34","0.03","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.5","","Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G.","Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations","Chemistry of Materials","2013","25","22","4574","","10.1021/cm4027682","","x-ray","0.7107","MoKα","","0.0189","0.018","","","0.0472","0.0476","","","","1.69","1.69","1.68","","","","has coordinates","288070","2023-12-06","12:50:23",""
"4001846","10.336","0.0002","6.006","0.0003","4.6932","0.0005","90","","90","","90","","291.34","0.03","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Li O4 P -","- Fe Li1.1 O4.126 P -","- Fe4 Li4.4 O16.504 P4 -","4","0.5","","Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G.","Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations","Chemistry of Materials","2013","25","22","4574","","10.1021/cm4027682","","x-ray","0.7107","MoKα","","0.0189","0.0179","","","0.0472","0.0476","","","","1.7","1.7","1.68","","","","has coordinates","288070","2023-12-06","12:50:25",""
"4001847","10.3244","0.0002","6.0064","0.0003","4.6901","0.0005","90","","90","","90","","290.84","0.03","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.5","","Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G.","Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations","Chemistry of Materials","2013","25","22","4574","","10.1021/cm4027682","","x-ray","0.7107","MoKα","","0.0177","0.0153","","","0.0423","0.0432","","","","1.45","1.45","1.41","","","","has coordinates","288070","2023-12-06","12:50:26",""
"4001848","10.3244","0.0002","6.0064","0.0003","4.6901","0.0005","90","","90","","90","","290.84","0.03","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Li O4 P -","- Fe1.004 Li O4.125 P -","- Fe4.016 Li4 O16.5 P4 -","4","0.5","","Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G.","Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations","Chemistry of Materials","2013","25","22","4574","","10.1021/cm4027682","","x-ray","0.7107","MoKα","","0.0178","0.0154","","","0.0413","0.0421","","","","1.42","1.42","1.38","","","","has coordinates","288070","2023-12-06","12:50:26",""
"4001849","10.3165","0.001","6.0095","0.0021","4.6988","0.0007","90","","90","","90","","291.31","0.11","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Lithium iron phosphate","","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.5","","Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G.","Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations","Chemistry of Materials","2013","25","22","4574","","10.1021/cm4027682","","neutron","","neutron","","0.046","0.046","","","0.125","0.125","","","","","","2.292","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001938","17.6594","0.0004","15.9973","0.0004","11.2462","0.0003","90","","90","","90","","3177.08","0.14","133","2","133","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H8 B F15 N3 O3 Re -","- C34 H8 B F15 N3 O3 Re -","- C136 H32 B4 F60 N12 O12 Re4 -","4","0.5","","Chu, Wing-Kin; Ko, Chi-Chiu; Chan, Kin-Cheung; Yiu, Shek-Man; Wong, Fu-Lung; Lee, Chun-Sing; Roy, V. A. L.","A Simple Design for Strongly Emissive Sky-Blue Phosphorescent Neutral Rhenium Complexes: Synthesis, Photophysics, and Electroluminescent Devices","Chemistry of Materials","2014","26","8","2544","","10.1021/cm4038654","","","0.7107","MoKα","","0.0236","0.0197","","","0.0475","0.0494","","","","","","1.069","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001955","7.1162","0.0005","31.179","0.002","14.2075","0.001","90","","90","","90","","3152.3","0.4","123","2","123","2","","","","","","","","3","P n m a","-P 2ac 2n","62","11080","","","- C44 H26 F6 -","- C44 H26 F6 -","- C176 H104 F24 -","4","0.5","","McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J.","Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties","Chemistry of Materials","2013","25","11","2254","","10.1021/cm400736s","","","0.71073","MoKα","","0.0736","0.0459","","","0.1241","0.1477","","","","","","1.038","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001966","7.5434","0.0002","14.826","0.0003","7.8284","0.0002","90","","90","","90","","875.52","0.04","94","2","94","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu0.25 Gd4.75 Ge4 -","- Eu0.25 Gd4.75 Ge4 -","- Eu Gd19 Ge16 -","4","0.5","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.0503","0.0353","","","0.0675","0.0721","","","","","","1.029","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001967","7.5993","0.0006","15.2558","0.0015","8.0218","0.0006","90","","90","","90","","929.99","0.14","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu Gd4 Ge4 -","- Eu Gd4 Ge4 -","- Eu4 Gd16 Ge16 -","4","0.5","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.0819","0.0381","","","0.043","0.049","","","","","","0.889","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001968","7.676","0.0004","14.7819","0.0008","7.7738","0.0003","90","","90","","90","","882.06","0.07","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd5 Ge4 -","- Gd5 Ge4 -","- Gd20 Ge16 -","4","0.5","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.0315","0.0211","","","0.0308","0.0324","","","","","","1.002","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001969","7.5669","0.0008","14.9047","0.0015","7.8648","0.0008","90","","90","","90","","887.01","0.16","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu0.5 Gd4.5 Ge4 -","- Eu0.5 Gd4.5 Ge4 -","- Eu2 Gd18 Ge16 -","4","0.5","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.0319","0.0249","","","0.0479","0.0503","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001971","7.6781","0.0006","14.8416","0.0014","7.7797","0.0007","90","","90","","90","","886.54","0.13","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu0.25 Gd4.75 Ge4 -","- Eu0.25 Gd4.75 Ge4 -","- Eu Gd19 Ge16 -","4","0.5","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.0649","0.0386","","","0.0515","0.0555","","","","","","0.96","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002055","13.956","0.003","11.141","0.002","13.011","0.003","90","","90","","90","","2023","0.7","293","2","293","2","","","","","","","synthesis as described","3","P n m a","-P 2ac 2n","62","","","","- Cl6 Mo2 S2 -","- Cl6 Mo2 S2 -","- Cl48 Mo16 S16 -","8","1","","Islam, Saiful M.; Subrahmanyam, Kota S.; Malliakas, Christos D.; Kanatzidis, Mercouri G.","One-Dimensional Molybdenum Thiochlorides and Their Use in High Surface Area MoSxChalcogels","Chemistry of Materials","2014","26","17","5151","","10.1021/cm5024579","","x-ray","0.71073","MoKα","","0.0527","0.0252","","","0.0343","0.0379","","","","","","0.826","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002339","23.421","","4.1877","","13.71","","90","","90","","90","","1344.68","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs Bi3.67 Se6","","- Bi3.67 Cs Se6 -","- Bi3.67 Cs Se6 -","- Bi14.68 Cs4 Se24 -","4","0.5","","Iordanidis, L.; Hogan, T.; Brazis, P.W.; Kanatzidis, M.G.; Kyratsi, T.; Ireland, J.; Uher, C.; Lane, M.; Chen, W.; Kannewurf, C.R.; Ghelani, N.; Dyck, J.S.","A2 Bi8 Se13 (A = Rb, Cs), Cs Bi3.67 Se6 and Ba Bi2 Se4: new ternary semiconducting bismuth selenides","Chemistry of Materials (1,1989-)","2001","13","","622","633","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002372","5.95462","","8.3864","","5.60185","","90","","90","","90","","279.744","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi In O3 -","- Bi In O3 -","- Bi4 In4 O12 -","4","0.5","","Belik, A.A.; Lazoryak, B.I.; Stefanovich, S.Yu.; Takayama-Muromachi, E.","Bi In O3: a polar oxide with Gd Fe O3-type perovskite structure","Chemistry of Materials (1,1989-)","2006","18","","1964","1968","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002382","7.432","","4.44","","7.087","","90","","90","","90","","233.857","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ce (Rh0.69 Ir0.31) Ge","","- Ce Ge Ir0.31 Rh0.69 -","- Ce Ge Ir0.31 Rh0.69 -","- Ce4 Ge4 Ir1.24 Rh2.76 -","4","0.5","","Gaudin, E.; Chevalier, B.; Heying, B.; Rodewald, U.C.; Poettgen, R.","Valence and structural transitions in the pseudo-ternary germanide Ce (Rh0.69 Ir0.31) Ge","Chemistry of Materials (1,1989-)","2005","17","","2693","2700","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002385","5.484","","7.669","","5.403","","90","","90","","90","","227.233","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi0.58 Ca0.42 Mn O3 -","- Bi0.58 Ca0.42 Mn O3 -","- Bi2.32 Ca1.68 Mn4 O12 -","4","0.5","","Giot, M.; Beran, P.; Perez, O.; Malo, S.; Nevriva, M.; Knizek, K.; Raveau, B.; Hervieu, M.; Roussel, P.","Bi(1-x) Ca(x) Mn O3 (x = 0.4 and 0.45): X-ray single-crystal and electron microscopy study","Chemistry of Materials (1,1989-)","2007","18","","3225","3236","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002422","5.5212","","7.808","","5.5464","","90","","90","","90","","239.103","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","La0.8 Sr0.2 Fe0.8 Cr0.2 O3","","- Cr0.2 Fe0.8 La0.8 O3 Sr0.2 -","- Cr0.2 Fe0.8 La0.8 O3 Sr0.2 -","- Cr0.8 Fe3.2 La3.2 O12 Sr0.8 -","4","0.5","","Ramos, T.; Carvalho, M.D.; Cruz, M.M.; Ferreira, L.P.; 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","151514","2020-10-21","18:00:00",""
"4002461","5.5492","","7.8017","","5.52901","","90","","90","","90","","239.369","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Nd (Ti O2.17 N0.83)","","- N0.83 Nd O2.17 Ti -","- N0.83 Nd O2.17 Ti -","- N3.32 Nd4 O8.68 Ti4 -","4","0.5","","Clarke, S.J.; Guinot, B.P.; Michie, C.W.; Calmont, M.J.C.; Rosseinsky, M.J.","Oxynitride perovskites: synthesis and structures of La Zr O2 N, Nd Ti O2 N and La Ti O2 N and comparison with oxide perovskites","Chemistry of Materials (1,1989-)","2002","14","","288","294","10.1021/cm010577v","","","","","","","","","","","","","","","","","","","","","has coordinates","231203","2020-10-21","18:00:00",""
"4002462","5.87525","","8.25031","","5.81008","","90","","90","","90","","281.63","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La (Zr O1.94 N1.06)","","- La N1.06 O1.94 Zr -","- La N1.058 O1.942 Zr -","- La4 N4.232 O7.768 Zr4 -","4","0.5","","Clarke, S.J.; Guinot, B.P.; Michie, C.W.; Calmont, M.J.C.; Rosseinsky, M.J.","Oxynitride perovskites: synthesis and structures of La Zr O2 N, Nd Ti O2 N and La Ti O2 N and comparison with oxide perovskites","Chemistry of Materials (1,1989-)","2002","14","","288","294","10.1021/cm010577v","","","","","","","","","","","","","","","","","","","","","has coordinates","231203","2020-10-21","18:00:00",""
"4002466","5.44301","","7.68546","","5.449","","90","","90","","90","","227.943","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(La0.425 Pr0.2 Ca0.375) (Mn O3)","","- Ca0.375 La0.425 Mn O3 Pr0.2 -","- Ca0.375 La0.425 Mn O3 Pr0.2 -","- Ca1.5 La1.7 Mn4 O12 Pr0.8 -","4","0.5","","Collado, J.A.; Frontera, C.; Garcia-Munoz, J.L.; Ritter, C.; Aranda, M.A.G.; Brunelli, M.","Room temperature structural and microstructural study for the magneto-conducting La5/8-x Prx Ca3/8 Mn O3 (0 <= x <= 5/8) series","Chemistry of Materials (1,1989-)","2003","15","","167","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002467","5.44105","","7.67594","","5.43977","","90","","90","","90","","227.193","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(La0.275 Pr0.35 Ca0.375) (Mn O3)","","- Ca0.375 La0.275 Mn O3 Pr0.35 -","- Ca0.375 La0.275 Mn O3 Pr0.35 -","- Ca1.5 La1.1 Mn4 O12 Pr1.4 -","4","0.5","","Collado, J.A.; Garcia-Munoz, J.L.; Frontera, C.; Ritter, C.; Aranda, M.A.G.; Brunelli, M.","Room temperature structural and microstructural study for the magneto-conducting La5/8-x Prx Ca3/8 Mn O3 (0 <= x <= 5/8) series","Chemistry of Materials (1,1989-)","2003","15","","167","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002468","5.44282","","7.65475","","5.4209","","90","","90","","90","","225.853","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.625 Ca0.375) (Mn O3)","","- Ca0.375 Mn O3 Pr0.625 -","- Ca0.375 Mn O3 Pr0.625 -","- Ca1.5 Mn4 O12 Pr2.5 -","4","0.5","","Collado, J.A.; Frontera, C.; Garcia-Munoz, J.L.; Ritter, C.; Brunelli, M.; Aranda, M.A.G.","Room temperature structural and microstructural study for the magneto-conducting La5/8-x Prx Ca3/8 Mn O3 (0 <= x <= 5/8) series","Chemistry of Materials (1,1989-)","2003","15","","167","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002560","10.431","","6.0947","","4.7366","","90","","90","","90","","301.124","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li Mn (P O4)","","- Li Mn O4 P -","- Li Mn O4 P -","- Li4 Mn4 O16 P4 -","4","0.5","","Garcia-Moreno, O.; Amador, U.; Alvarez-Vega, M.; Sanjuan, M.L.; Gallardo Amores, J.M.; Garcia-Jaca, J.; Garcia-Alvarado, F.","Influence of the structure on the electrochemical performance of lithium transition metal phosphates as cathodic materials in rechargeable lithium batteries: a new high-pressure form of Li M P O4 (M = Fe and Ni)","Chemistry of Materials (1,1989-)","2001","13","","1570","1576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002584","6.984","","5.974","","8.345","","90","","90","","90","","348.174","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pb (Fe B O4)","","- B Fe O4 Pb -","- B Fe O4 Pb -","- B4 Fe4 O16 Pb4 -","4","0.5","","Park, H.; Greedan, J.E.; Lam, R.; Barbier, J.","Synthesis, crystal structure, crystal chemistry and magnetic properties of Pb M B O4 (M = Cr, Mn, Fe): a new structure type exhibiting one-dimensional magnetism","Chemistry of Materials (1,1989-)","2003","15","","1703","1712","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002629","7.429","","4.467","","7.121","","90","","90","","90","","236.313","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ce Rh Ge","","- Ce Ge Rh -","- Ce Ge Rh -","- Ce4 Ge4 Rh4 -","4","0.5","","Gaudin, E.; Rodewald, U.C.; Chevalier, B.; Heying, B.; Poettgen, R.","Valence and Structural Transitions in the Pseudo-Ternary Germanide Ce (Rh0.69 Ir0.31) Ge","Chemistry of Materials (1,1989-)","2005","17","","2693","2700","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002635","7.072","","4.3742","","7.573","","90","","90","","90","","234.266","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ce Ir Ge","","- Ce Ge Ir -","- Ce Ge Ir -","- Ce4 Ge4 Ir4 -","4","0.5","","Gaudin, E.; Chevalier, B.; Poettgen, R.; Heying, B.; Rodewald, U.C.","Valence and Structural Transitions in the Pseudo-Ternary Germanide Ce (Rh0.69 Ir0.31) Ge","Chemistry of Materials (1,1989-)","2005","17","","2693","2700","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002665","30.927","0.004","26.416","0.003","31.341","0.004","90","","90","","90","","25605","5","291","2","291","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C210 H175 Au25 Cl2 F6 P10 Sb Se5 -","- C210 H175 Au25 Cl2 F6 P10 Sb Se5 -","- C840 H700 Au100 Cl8 F24 P40 Sb4 Se20 -","4","0.5","","Song, Yongbo; Jin, Shan; Kang, Xi; Xiang, Ji; Deng, Huijuan; Yu, Haizhu; Zhu, Manzhou","How a Single Electron Affects the Properties of the “Non-Superatom” Au25Nanoclusters","Chemistry of Materials","2016","28","8","2609","","10.1021/acs.chemmater.5b04655","","","0.71073","MoKα","","0.0501","0.0503","","","0.1211","0.1215","","","","","","1.065","","","","has coordinates","182490","2020-10-21","18:00:00",""
"4002678","7.7059","0.0003","18.4574","0.0007","8.7525","0.0003","90","","90","","90","","1244.88","0.08","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H14 Cl4 F2 N2 Pb -","- C4 H14 Cl4 F2 N2 Pb -","- C16 H56 Cl16 F8 N8 Pb4 -","4","0.5","","Lermer, Claudia; Birkhold, Susanne T.; Moudrakovski, Igor L.; Mayer, Peter; Schoop, Leslie M.; Schmidt-Mende, Lukas; Lotsch, Bettina V.","Toward Fluorinated Spacers for MAPI-Derived Hybrid Perovskites: Synthesis, Characterization, and Phase Transitions of (FC2H4NH3)2PbCl4","Chemistry of Materials","2016","28","18","6560","","10.1021/acs.chemmater.6b02151","","","0.71073","MoKα","","0.0184","0.0115","","","0.0232","0.025","","","","","","1.08","","","","has coordinates","186902","2020-10-21","18:00:00",""
"4002711","9.12","0.002","5.6453","0.0014","11.437","0.003","90","","90","","90","","588.8","0.2","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ag5 Eu In -","- Ag5 Eu In -","- Ag20 Eu4 In4 -","4","0.5","","Bigun, Inna; Steinberg, Simon; Smetana, Volodymyr; Mudryk, Yaroslav; Kalychak, Yaroslav; Havela, Ladislav; Pecharsky, Vitalij; Mudring, Anja-Verena","Magnetocaloric Behavior in Ternary Europium Indides EuT5In: Probing the Design Capability of First-Principles-Based Methods on the Multifaceted Magnetic Materials","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b04782","","","0.71073","MoKα","","0.0511","0.0363","","","0.0773","0.083","","","","","","1.051","","","","has coordinates","192244","2020-10-21","18:00:00",""
"4002753","17.9259","0.0007","8.5845","0.0002","17.7048","0.0006","90","","90","","90","","2724.5","0.15","240","2","240","2","","","","","","","","5","P n m a","-P 2ac 2n","62","dipropylammonium trichloroacetate","","","- C8 H16 Cl3 N O2 -","- C8 H16 Cl3 N O2 -","- C64 H128 Cl24 N8 O16 -","8","1","","Ji, Chengmin; Wang, Sasa; Liu, Sijie; Sun, Zhihua; Zhang, Jing; Li, Lina; Luo, Junhua","Exceptional Three-Level Switching Behaviors of Quadratic Nonlinear Optical Properties in a Tristable Molecule-Based Dielectric","Chemistry of Materials","2017","29","7","3251","","10.1021/acs.chemmater.7b00524","","","0.71073","MoKα","","0.1482","0.1036","","","0.3228","0.367","","","","","","1.081","","","","has coordinates,has disorder","195937","2020-10-21","18:00:00",""
"4002959","13.348","0.003","7.9703","0.0016","6.1343","0.0012","90","","90","","90","","652.6","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Lithium thio-phosphate thio-silicate","","","- Li7 P S8 Si -","- Li7 P S8 Si -","- Li14 P2 S16 Si2 -","2","0.25","","Harm, Sascha; Hatz, Anna-Katharina; Moudrakovski, Igor; Eger, Roland; Kuhn, Alexander; Hoch, Constantin; Lotsch, Bettina V.","Lesson Learned from NMR: Characterization and Ionic Conductivity of LGPS-like Li7SiPS8","Chemistry of Materials","2019","31","4","1280","","10.1021/acs.chemmater.8b04051","","","0.71073","MoKα","","0.0383","0.0237","","","0.0484","0.0524","","","","","","0.883","","","","has coordinates","220383","2020-10-21","18:00:00",""
"4002987","13.0467","0.0018","8.0707","0.0012","6.1395","0.0009","90","","90","","90","","646.46","0.16","280","2","280","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.21 P0.85 S4 Si0.15 -","- Li3.216 P0.85 S4 Si0.15 -","- Li12.864 P3.4 S16 Si0.6 -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0506","0.0355","","","0.0726","0.0754","","","","","","1.213","","","","has coordinates","220411","2020-10-21","18:00:00",""
"4002988","13.4165","0.0019","7.9107","0.0011","6.1283","0.0008","90","","90","","90","","650.42","0.15","280","2","280","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.58 P0.5 S4 Si0.5 -","- Li3.57 P0.5 S4 Si0.5 -","- Li14.28 P2 S16 Si2 -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0543","0.0373","","","0.0893","0.0995","","","","","","1.005","","","","has coordinates","220412","2020-10-21","18:00:00",""
"4002990","13.675","0.0018","7.7946","0.001","6.1411","0.0009","90","","90","","90","","654.59","0.15","280","2","280","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.66 P0.33 S4 Si0.67 -","- Li3.65 P0.33 S4 Si0.67 -","- Li14.6 P1.32 S16 Si2.68 -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0472","0.0441","","","0.1158","0.1185","","","","","","1.099","","","","has coordinates","220414","2020-10-21","18:00:00",""
"4002991","13.158","0.0012","8.0286","0.0007","6.1287","0.0005","90","","90","","90","","647.44","0.1","280","2","280","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.28 P0.75 S4 Si0.25 -","- Li3.274 P0.75 S4 Si0.25 -","- Li13.096 P3 S16 Si -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0263","0.0192","","","0.0438","0.0461","","","","","","1.036","","","","has coordinates","220415","2020-10-21","18:00:00",""
"4002992","13.156","0.007","8.016","0.004","6.132","0.003","90","","90","","90","","646.7","0.6","180","2","180","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.23 P0.75 S4 Si0.25 -","- Li3.224 P0.75 S4 Si0.25 -","- Li12.896 P3 S16 Si -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0458","0.0311","","","0.0686","0.0737","","","","","","0.984","","","","has coordinates","220416","2020-10-21","18:00:00",""
"4002993","13.2489","0.0004","8.0094","0.0002","6.1311","0.0002","90","","90","","90","","650.61","0.03","280","2","280","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.33 P0.67 S4 Si0.33 -","- Li3.324 P0.67 S4 Si0.33 -","- Li13.296 P2.68 S16 Si1.32 -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0142","0.013","","","0.0358","0.0368","","","","","","0.838","","","","has coordinates","220417","2020-10-21","18:00:00",""
"4003004","12.5046","0.0006","7.6471","0.0003","12.9975","0.0006","90","","90","","90","","1242.87","0.1","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- As8 Mg3 Si3 -","- As8 Mg3 Si3 -","- As32 Mg12 Si12 -","4","0.5","","Wang, Jian; Mark, Justin; Woo, Katherine E.; Voyles, Jackson; Kovnir, Kirill","Chemical Flexibility of Mg in Pnictide Materials: Structure and Properties Diversity","Chemistry of Materials","2019","31","20","8286","","10.1021/acs.chemmater.9b03740","","","0.71073","MoKα","","0.0137","0.012","","","0.0268","0.0283","","","","","","1.273","","","","has coordinates","220427","2020-10-21","18:00:00",""
"4003012","5.502008","0.000009","2.948246","0.000004","4.059604","0.000007","90","","90","","90","","65.852","0.00018","300","","300","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","FeB","- B Fe -","- B Fe -","- B4 Fe4 -","4","0.5","","Bocarsly, Joshua D.; Levin, Emily E.; Humphrey, Samuel A.; Faske, Tom; Donner, Wolfgang; Wilson, Stephen D.; Seshadri, Ram","Magnetostructural Coupling Drives Magnetocaloric Behavior: The Case of MnB versus FeB","Chemistry of Materials","2019","31","13","4873","","10.1021/acs.chemmater.9b01476","powder diffraction","","0.414581","","","","","","","","","","","1.93","","","","","","","has coordinates","220435","2020-10-21","18:00:00",""
"4003013","5.563182","0.000006","2.97685","0.000003","4.147243","0.000004","90","","90","","90","","68.6815","0.00012","300","","300","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","MnB","- B Mn -","- B Mn -","- B4 Mn4 -","4","0.5","","Bocarsly, Joshua D.; Levin, Emily E.; Humphrey, Samuel A.; Faske, Tom; Donner, Wolfgang; Wilson, Stephen D.; Seshadri, Ram","Magnetostructural Coupling Drives Magnetocaloric Behavior: The Case of MnB versus FeB","Chemistry of Materials","2019","31","13","4873","","10.1021/acs.chemmater.9b01476","powder diffraction","","0.414581","","","","","","","","","","","1.93","","","","","","","has coordinates","220436","2020-10-21","18:00:00",""
"4003186","19.988","0.001","19.988","0.001","13.3947","0.0009","90","","90","","90","","5351.5","0.5","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C0.71 O2 Si -","- C0.541667 O2.33333 Si -","- C52 O224 Si96 -","96","12","","Santoro, Mario; Dziubek, Kamil; Scelta, Demetrio; Ceppatelli, Matteo; Gorelli, Federico A.; Bini, Roberto; Thibaud, Jean-Marc; Di Renzo, Francesco; Cambon, Olivier; Rouquette, Jerome; Hermet, Patrick; van der Lee, Arie; Haines, Julien","High Pressure Synthesis of All-Transoid Polycarbonyl [—(C═O)—]n in a Zeolite","Chemistry of Materials","2015","27","19","6486","","10.1021/acs.chemmater.5b02596","","x-ray","1.54184","CuKα","","0.104","0.0918","","","0.2453","0.259","","","","","","1.037","","","","has coordinates","231419","2020-10-21","18:00:00",""
"4003290","5.8815","0.0016","13.035","0.003","19.371","0.004","90","","90","","90","","1485.1","0.6","110","","110","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14.45 H8 O6.89 Pb S -","- C14.447 H8 O6.894 Pb S -","- C57.788 H32 O27.576 Pb4 S4 -","4","0.5","","Chen, Shoushun; Lucier, Bryan E.G.; Boyle, Paul D.; Huang, Yining","Understanding The Fascinating Origins of CO2 Adsorption and Dynamics in MOFs","Chemistry of Materials","2016","28","16","5829","","10.1021/acs.chemmater.6b02239","","","0.71073","MoKα","","0.0385","0.0249","","","0.0404","0.0431","","","","","","1.04","","","","has coordinates,has disorder","231494","2020-10-21","18:00:00",""
"4003362","30.1506","0.0006","8.6004","0.0002","16.1217","0.0004","90","","90","","90","","4180.47","0.16","293","2","293.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H42 Bi2 I9 N3 -","- C18 H42 Bi2 I9 N3 -","- C72 H168 Bi8 I36 N12 -","4","0.5","","Zhang, Weichuan; Liu, Xitao; Li, Lina; Sun, Zhihua; Han, Shiguo; Wu, Zhenyue; Luo, Junhua","Triiodide-Induced Band-Edge Reconstruction of a Lead-Free Perovskite-Derivative Hybrid for Strong Light Absorption","Chemistry of Materials","2018","30","12","4081","","10.1021/acs.chemmater.8b01200","","x-ray","1.54184","CuKα","","0.061","0.0448","","","0.1065","0.1177","","","","","","1.035","","","","has coordinates","231536","2020-10-21","18:00:00",""
"4003371","26.5785","0.0009","12.9273","0.0005","26.2839","0.0009","90","","90","","90","","9030.8","0.6","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","cle109","","","- C36 H66 I22 N12 O3 Pb5 -","- C36 H60 I22 N12 O3 Pb5 -","- C144 H240 I88 N48 O12 Pb20 -","4","0.5","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.0394","0.0274","","","0.0537","0.0579","","","","","","1.074","","","","has coordinates","231545","2020-10-21","18:00:00",""
"4003372","26.3268","0.0008","12.8308","0.0004","26.0929","0.0008","90","","90","","90","","8814","0.5","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H66 I22 N12 O3 Pb5 -","- C36 H66 I22 N12 O3 Pb5 -","- C144 H264 I88 N48 O12 Pb20 -","4","0.5","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.0258","0.0181","","","0.0334","0.0353","","","","","","1.046","","","","has coordinates","231546","2020-10-21","18:00:00",""
"4003480","11.7409","0.0005","11.0295","0.0004","12.9724","0.0005","90","","90","","90","","1679.88","0.11","473","","473","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C H6 B11 Br6 Li -","- C H6 B11 Br6 Li -","- C4 H24 B44 Br24 Li4 -","4","0.5","","Jørgensen, Mathias; Shea, Patrick T.; Tomich, Anton W.; Varley, Joel B.; Bercx, Marnik; Lovera, Sergio; Černý, Radovan; Zhou, Wei; Udovic, Terrence J.; Lavallo, Vincent; Jensen, Torben R.; Wood, Brandon C.; Stavila, Vitalie","Understanding Superionic Conductivity in Lithium and Sodium Salts of Weakly Coordinating Closo-Hexahalocarbaborate Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04383","powder diffraction","","","synchrotron","","","","","","","","","4.12","","","","","","","","has coordinates","248131","2020-10-21","18:00:00",""
"4003482","11.6879","0.0006","11.1093","0.0005","11.3771","0.0005","90","","90","","90","","1477.25","0.12","373","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","LiHCB11H5Cl6","","- C H6 B11 Cl6 Li -","- C H6 B11 Cl6 Li -","- C4 H24 B44 Cl24 Li4 -","4","0.5","","Jørgensen, Mathias; Shea, Patrick T.; Tomich, Anton W.; Varley, Joel B.; Bercx, Marnik; Lovera, Sergio; Černý, Radovan; Zhou, Wei; Udovic, Terrence J.; Lavallo, Vincent; Jensen, Torben R.; Wood, Brandon C.; Stavila, Vitalie","Understanding Superionic Conductivity in Lithium and Sodium Salts of Weakly Coordinating Closo-Hexahalocarbaborate Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04383","powder diffraction","","","Synchrotron","","","","","","","","","5.4943","","","","","","","","has coordinates","248133","2020-10-21","18:00:00",""
"4003515","10.833","0.002","3.8355","0.0007","4.3954","0.0009","90","","90","","90","","182.63","0.06","250.72","","250.72","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ge Se -","- Ge Se -","- Ge4 Se4 -","4","0.5","","Murgatroyd, Philip A. E.; Smiles, Matthew J.; Savory, Christopher N.; Shalvey, Thomas P.; Swallow, Jack E. N.; Fleck, Nicole; Robertson, Craig M.; Jäckel, Frank; Alaria, Jonathan; Major, Jonathan D.; Scanlon, David O.; Veal, Tim D.","GeSe: Optical Spectroscopy and Theoretical Study of a van der Waals Solar Absorber","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00453","","","0.71073","MoKα","","0.0652","0.0578","","","0.193","0.2015","","","","","","1.224","","","","has coordinates","249629","2020-10-21","18:00:00",""
"4003542","17.575","0.008","16.067","0.007","9.31","0.004","90","","90","","90","","2629","2","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H42 In N9 -","- C18 H36 In N8 -","- C72 H144 In4 N32 -","4","0.5","","O’Brien, Nathan J.; Rouf, Polla; Samii, Rouzbeh; Rönnby, Karl; Buttera, Sydney C.; Hsu, Chih-Wei; Ivanov, Ivan G.; Kessler, Vadim; Ojamäe, Lars; Pedersen, Henrik","In Situ Activation of an Indium(III) Triazenide Precursor for Epitaxial Growth of Indium Nitride by Atomic Layer Deposition","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05171","","","0.71073","MoKα","","0.1061","0.0945","","","0.2309","0.2368","","","","","","0.986","","","","has coordinates","252176","2020-10-21","18:00:00",""
"4003613","11.9388","0.0005","4.1112","0.0002","12.5095","0.0005","90","","90","","90","","614","0.05","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cl3 Cu K2 -","- Cl3 Cu K2 -","- Cl12 Cu4 K8 -","4","0.5","","Creason, Tielyr D.; McWhorter, Timothy M.; Bell, Zane; Du, Mao-Hua; Saparov, Bayrammurad","K2CuX3 (X = Cl, Br): All-Inorganic Lead-Free Blue Emitters with Near-Unity Photoluminescence Quantum Yield","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02098","","","0.71073","MoKα","","0.0264","0.0215","","","0.047","0.0498","","","","","","1.006","","","","has coordinates","254121","2020-10-21","18:00:00",""
"4003614","12.5112","0.001","4.2939","0.0003","13.1645","0.001","90","","90","","90","","707.22","0.09","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Br3 Cu K2 -","- Br3 Cu K2 -","- Br12 Cu4 K8 -","4","0.5","","Creason, Tielyr D.; McWhorter, Timothy M.; Bell, Zane; Du, Mao-Hua; Saparov, Bayrammurad","K2CuX3 (X = Cl, Br): All-Inorganic Lead-Free Blue Emitters with Near-Unity Photoluminescence Quantum Yield","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02098","","","0.71073","MoKα","","0.0464","0.0316","","","0.0658","0.0731","","","","","","1.009","","","","has coordinates","254122","2020-10-21","18:00:00",""
"4003893","14.0332","0.0006","10.1091","0.0004","7.2292","0.0003","90","","90","","90","","1025.56","0.07","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cl5 O Rb2 Sb -","- Cl5 O Rb2 Sb -","- Cl20 O4 Rb8 Sb4 -","4","0.5","","Benin, Bogdan M.; McCall, Kyle M.; Wörle, Michael; Borgeaud, Dominique; Vonderach, Thomas; Sakhatskyi, Kostiantyn; Yakunin, Sergii; Günther, Detlef; Kovalenko, Maksym V.","Lone-Pair-Induced Structural Ordering in the Mixed-Valent 0D Metal-Halides Rb23BiIIIxSbIII7‒xSbV2Cl54 (0 ≤ x ≤ 7)","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04491","","x-ray","0.71073","MoKα","","0.0443","0.0389","","","0.0896","0.093","","","","","","1.171","","","","has coordinates","263264","2021-03-23","23:19:02",""
"4003949","5.7137","0.0005","8.0567","0.0005","5.7209","0.0005","90","","90","","90","","263.35","0.04","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ce4 N6.04 Nb3.9 O5.96 -","- Ce3.99968 N6.04 Nb3.9 O5.96 -","- Ce3.99968 N6.04 Nb3.9 O5.96 -","1","0.125","","Shen, Zonghao; Wu, Ji; Shorvon, Matthew W.; Cazaux, Guillaume; Parker, Stephen C.; Skinner, Stephen J.","Partially Anion-Ordered Cerium Niobium Oxynitride Perovskite Phase with a Small Band Gap","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00631","powder diffraction","","","","","","","","","","","","","1.47","","","","","","","has coordinates","265437","2021-05-21","22:21:18",""
"4004008","19.5801","0.0012","21.328","0.002","8.7346","0.0006","90","","90","","90","","3647.6","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H42 Bi2 Br9 N3 -","- C15 H42 Bi2 Br9 N3 -","- C60 H168 Bi8 Br36 N12 -","4","0.5","","Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi","Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01699","","","0.71073","MoKα","","0.1213","0.0988","","","0.2563","0.2724","","","","","","1.013","","","","has coordinates","267570","2021-07-15","22:37:13",""
"4004040","5.54568","0.00012","7.7577","0.0002","5.42862","0.00012","90","","90","","90","","233.549","0.009","","","490","","","","100","","","","","3","P n m a","-P 2ac 2n","62","BiCrO3 perovskite at 490 K","","","- Bi Cr O3 -","- Bi Cr O3 -","- Bi4 Cr4 O12 -","4","0.5","","Belik, A.A.; Iikubo, S.; Kodama, K.; Igawa, N.; Shamoto, S.; Takayama-Muromachi, E.","Neutron powder diffraction study on the crystal and magnetic structures of BiCrO3 :At 470 K perovskite structure","Chemistry of Materials","2008","20","","3765","3769","10.1021/cm800375d","","","","","","","","","","","","","","","","","","","","","has coordinates","270199","2021-11-02","08:26:20",""
"4004085","7.3424","0.0003","3.93196","0.00014","15.2841","0.0006","90","","90","","90","","441.25","0.03","293","2","293","3","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd2 S3 -","- Gd2 S3 -","- Gd8 S12 -","4","0.5","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","26.8009","","","","","","","","has coordinates","281155","2023-02-27","11:00:18",""
"4004091","13.9144","0.0004","8.3502","0.0003","5.0557","0.0002","90","","90","","90","","587.41","0.04","294","2","294","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu2 O7 Si2 -","- Eu2 O7 Si2 -","- Eu8 O28 Si8 -","4","0.5","","Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian","On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence","Chemistry of Materials","2023","35","6","2635","2646","10.1021/acs.chemmater.3c00245","","","0.71073","MoKα","","0.016","0.0151","","","0.0336","0.0341","","","","","","1.246","","","","has coordinates","282895","2023-04-28","08:40:08",""
"4004092","13.85","0.004","8.291","0.002","5.0507","0.0013","90","","90","","90","","580","0.3","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd2 O7 Si2 -","- Gd2 O7 Si2 -","- Gd8 O28 Si8 -","4","0.5","","Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian","On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence","Chemistry of Materials","2023","35","6","2635","2646","10.1021/acs.chemmater.3c00245","","","0.71073","MoKα","","0.0743","0.0361","","","0.0595","0.0713","","","","","","1.063","","","","has coordinates","282896","2023-04-28","08:45:19",""
"4004093","13.817","0.006","8.244","0.004","5.0348","0.0018","90","","90","","90","","573.5","0.4","295","2","295","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O7 Si2 Tb2 -","- O7 Si2 Tb2 -","- O28 Si8 Tb8 -","4","0.5","","Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian","On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence","Chemistry of Materials","2023","35","6","2635","2646","10.1021/acs.chemmater.3c00245","","","0.71073","MoKα","","0.0284","0.0256","","","0.0563","0.0573","","","","","","1.355","","","","has coordinates","282897","2023-04-28","08:46:37",""
"4004094","13.725","0.0005","8.2019","0.0002","5.03","0.0002","90","","90","","90","","566.23","0.03","294","2","294","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Dy2 O7 Si2 -","- Dy2 O7 Si2 -","- Dy8 O28 Si8 -","4","0.5","","Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian","On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence","Chemistry of Materials","2023","35","6","2635","2646","10.1021/acs.chemmater.3c00245","","","0.71073","MoKα","","0.0216","0.0211","","","0.0411","0.0414","","","","","","1.453","","","","has coordinates","282898","2023-04-28","08:48:00",""
"4004095","13.6575","0.0008","8.1544","0.0005","5.0191","0.0004","90","","90","","90","","558.97","0.07","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ho2 O7 Si2 -","- Ho2 O7 Si2 -","- Ho8 O28 Si8 -","4","0.5","","Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian","On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence","Chemistry of Materials","2023","35","6","2635","2646","10.1021/acs.chemmater.3c00245","","","0.71073","MoKα","","0.0441","0.0263","","","0.0481","0.0524","","","","","","1.042","","","","has coordinates","282899","2023-04-28","08:50:18",""
"4020247","14.4612","0.0016","11.6741","0.0013","10.6275","0.0011","90","","90","","90","","1794.2","0.3","218","2","218","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H14 F12 N2 P2 -","- C12 H14 F12 N2 P2 -","- C48 H56 F48 N8 P8 -","4","0.5","","Feihe Huang; Karen A. Switek; Lev N. Zakharov; Frank R. Fronczek; Carla Slebodnick; Matthew Lam; James A. Golen; William S. Bryant; Philip E. Mason; Arnold L. Rheingold; Ashraf-Khorassani, Mehdi; Harry W. Gibson","Cryptands, Powerful Hosts for Paraquat Derivatives","Journal of Organic Chemistry","2005","70","","3231","3241","10.1021/jo050187i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020354","17.447","0.008","6.625","0.003","7.767","0.004","90","","90","","90","","897.8","0.7","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H5 N3 O2 -","- C10 H5 N3 O2 -","- C40 H20 N12 O8 -","4","0.5","","Jordan R. Quinn; Steven C. Zimmerman","Structure-Function Studies on a Synthetic Guanosine Receptor That Simultaneously Binds Watson-Crick and Hoogsteen Sites","Journal of Organic Chemistry","2005","70","","7459","7467","10.1021/jo0501689","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020424","16.8651","0.0017","8.9696","0.001","7.6142","0.0008","90","","90","","90","","1151.8","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","0.5","","Shengming Ma; Zhenhua Gu; Zhanqian Yu","","Journal of Organic Chemistry","2005","70","","6291","6294","10.1021/jo0507441","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020610","10.5574","0.0009","14.4038","0.0009","15.8173","0.0009","90","","90","","90","","2405.3","0.3","223","2","223","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C30 H24 N4 O2 -","- C30 H24 N4 O2 -","- C120 H96 N16 O8 -","4","0.5","","S. Anitha Nagamani; Yasuo Norikane; Nobuyuki Tamaoki","Photoinduced Hinge-Like Molecular Motion: Studies on Xanthene-Based Cyclic Azobenzene Dimers","Journal of Organic Chemistry","2005","70","","9304","9313","10.1021/jo0513616","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020957","28.704","0.002","12.6928","0.001","14.2236","0.001","90","","90","","90","","5182.1","0.7","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C50 H66 O7 S4 -","- C50 H66 O7 S4 -","- C200 H264 O28 S16 -","4","0.5","","Fijs W. B. van Leeuwen; Hans Beijleveld; Huub Kooijman; Anthony L. Spek; Willem Verboom; David N. Reinhoudt","Synthesis and Conformational Evaluation of p-tert-Butylthiacalix[4]arene-crowns","Journal of Organic Chemistry","2004","69","","3928","3936","10.1021/jo0401220","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4021723","14.6581","0.0011","12.0535","0.0009","9.6751","0.0007","90","","90","","90","","1709.4","0.2","298","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","1-(1-tert-Butyl-1-methoxy-2,2-dimethyl-propyl)-2-isopropyl-benzene 4","","- C19 H32 O -","- C19 H32 O -","- C76 H128 O4 -","4","0.5","","Daniele Casarini; Carmine Coluccini; Lodovico Lunazzi; Andrea Mazzanti","Structure, Conformation, and Stereodynamics of the Atropisomers of Highly Hindered Benzyl Ethers","Journal of Organic Chemistry","2006","71","","4490","4496","10.1021/jo0603173","","","0.71073","MoKα","","0.0541","0.0412","","","0.1414","0.152","","","","","","1.023","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021749","14.832","0.006","25.376","0.008","12.737","0.004","90","","90","","90","","4794","3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C52 H48 O10 -","- C52 H48 O10 -","- C208 H192 O40 -","4","0.5","","Arkasish Bandyopadhyay; Babu Varghese; Sethuraman Sankararaman","Synthesis of 1,4-Cyclohexadiene-Based Acetylenic Macrocycles with Cadiot-Chodkiewicz Coupling. Structure of a Tub-Shaped Tetrameric Container","Journal of Organic Chemistry","2006","71","","4544","4548","10.1021/jo0605290","","","0.71069","MoKα","","0.1521","0.0583","","","0.1436","0.1715","","","","","","1.022","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4022342","11.347","0.002","7.126","0.002","21.266","0.003","90","0","90","0","90","0","1719.5","0.6","22","","22","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H12 F3 N S -","- C13 H8 F2.5 N0.5 S0.5 -","- C52 H32 F10 N2 S2 -","4","0.5","","Luisa Benati; Gianluca Calestani; Rino Leardini; Matteo Minozzi; Daniele Nanni; Piero Spagnolo; Samantha Strazzari; Giuseppe Zanardi","Cascade Radical Reactions via α-(Arylsulfanyl)imidoyl Radicals: Competitive [4 + 2] and [4 + 1] Radical Annulations of Alkynyl Isothiocyanates with Aryl Radicals","Journal of Organic Chemistry","2003","68","","3454","3464","10.1021/jo0267504","","","0.71069","MoKα","","0.1545","0.0517","","0.1421","0.1138","","","","0.855","1.159","1.159","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022363","9.6439","0.0004","7.3388","0.0002","16.8992","0.0008","90","","90","","90","","1196.04","0.08","298","","","","","","","","","","Local laboratory","3","P n m a","-P 2ac 2n","62","","","","- C12 H17 Br -","- C12 H17 Br -","- C48 H68 Br4 -","4","0.5","","Jason E. Field; Thomas J. Hill; D. Venkataraman","Bridged Triarylamines: A New Class of Heterohelicenes","Journal of Organic Chemistry","2003","68","","6071","6078","10.1021/jo026883p","","","0.71073","MoKα","","0.055","0.0427","","","0.1137","0.1247","","","","","","0.952","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022417","21.146","0.003","17.623","0.003","10.657","0.002","90","","90","","90","","3971.4","1.2","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","25","","","- C52 H38 N2 -","- C52 H38 N2 -","- C208 H152 N8 -","4","0.5","","Howard E. Zimmerman; Tibor Novak","Regioselectivity of the Tri-π-methane Rearrangement: Mechanistic and Exploratory Organic Photochemistry","Journal of Organic Chemistry","2003","68","","5056","5066","10.1021/jo034189j","","","0.71073","MoKα","","0.0634","0.0539","","","0.1365","0.1431","","","","","","1.054","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022820","8.115","0.003","18.042","0.006","9.525","0.003","90","","90","","90","","1394.7","0.8","130","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","0.5","","Yit Wooi Goh; Stephen M. Danczak; Tang Kuan Lim; Jonathan M. White","Manifestations of the Alder-Rickert Reaction in the Structures of Bicyclo[2.2.2]octadiene and Bicyclo[2.2.2]octene Derivatives","Journal of Organic Chemistry","2007","72","","2929","2935","10.1021/jo0625610","","","0.71073","MoKα","","0.0614","0.0587","","","0.1624","0.1637","","","","","","1.162","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022823","8.2293","0.0009","17.9162","0.0019","9.5373","0.001","90","","90","","90","","1406.2","0.3","130","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","0.5","","Yit Wooi Goh; Stephen M. Danczak; Tang Kuan Lim; Jonathan M. White","Manifestations of the Alder-Rickert Reaction in the Structures of Bicyclo[2.2.2]octadiene and Bicyclo[2.2.2]octene Derivatives","Journal of Organic Chemistry","2007","72","","2929","2935","10.1021/jo0625610","","","0.71073","MoKα","","0.0404","0.0359","","","0.1015","0.1043","","","","","","1.031","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4023190","10.6543","0.0002","11.9382","0.0002","9.1044","0.0002","90","","90","","90","","1158.02","0.04","150","2","150","2","","","","","","","synthesis as described","3","P n m a","-P 2ac 2n","62","","","","- C15 H14 N2 -","- C15 H14 N2 -","- C60 H56 N8 -","4","0.5","","Zhiqing Yan; Troy McCracken; Shijing Xia; Veselin Maslak; Judith Gallucci; Christopher M. Hadad; Jovica D. Badjič","Supramolecular Catalysis at Work: Diastereoselective Synthesis of a Molecular Bowl with Dynamic Inner Space","Journal of Organic Chemistry","2008","73","","355","363","10.1021/jo701538g","","x-ray","0.71073","MoKα","","0.0689","0.0415","","","0.099","0.111","","","","","","1.049","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023284","20.0166","0.0007","16.6428","0.0006","4.8318","0.0001","90","","90","","90","","1609.63","0.09","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","0.5","","U. C. Reddy; B. Rama Raju; E. K. Pramod Kumar; Anil K. Saikia","Stereoselective One-Pot, Three-Component Synthesis of 4-Amidotetrahydropyran","Journal of Organic Chemistry","2008","73","","1628","1630","10.1021/jo7023366","","","0.71073","MoKα","","0.0822","0.0488","","","0.1089","0.1253","","","","","","0.998","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023940","9.0004","0.0008","6.8284","0.0006","15.7613","0.0014","90","","90","","90","","968.66","0.15","143","1","143","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C13 H13 N -","- C13 H13 N -","- C52 H52 N4 -","4","0.5","","Amos B. Smith, III; László Kürti; Akin H. Davulcu; Young Shin Cho; Kazuyuki Ohmoto","Indole Diterpene Synthetic Studies: Development of a Second-Generation Synthetic Strategy for (+)-Nodulisporic Acids A and B","Journal of Organic Chemistry","2007","72","","4611","4620","10.1021/jo062423a","","","0.71069","MoKα","","0.0514","0.0371","","","0.0911","0.1013","","","","","","0.962","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4024222","16.33","0.0006","16.1503","0.0006","8.5508","0.0003","90","","90","","90","","2255.14","0.14","150","1","150","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H32 N4 O6 -","- C19 H32 N4 O6 -","- C76 H128 N16 O24 -","4","0.5","","Jun Yang; Mahender B. Dewal; David Sobransingh; Mark D. Smith; Yuewen Xu; Linda S. Shimizu","Examination of the Structural Features That Favor the Columnar Self-Assembly of Bis-urea Macrocycles","Journal of Organic Chemistry","2009","74","","102","110","10.1021/jo801717w","","","0.71073","MoKα","","0.0406","0.0342","","","0.0905","0.0945","","","","","","1.05","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024703","20.99","0.004","7.0721","0.0014","10.64","0.002","90","","90","","90","","1579.5","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H19 O4 P -","- C16 H19 O4 P -","- C64 H76 O16 P4 -","4","0.5","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0542","0.0436","","","0.1133","0.1205","","","","","","1.081","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024841","12.769","0.002","7.2172","0.0013","15.297","0.003","90","","90","","90","","1409.7","0.4","200","1","200","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H11 N O4 S3 -","- C12 H11 N O4 S3 -","- C48 H44 N4 O16 S12 -","4","0.5","","Neta Shefer; Tal Harel; Shlomo Rozen","Synthesis of Oxygenated Fused Oligothiophenes with HOF.CH3CN","Journal of Organic Chemistry","2009","74","","6993","6998","10.1021/jo901106j","","","0.71073","MoKα","","0.0632","0.0581","","","0.1273","0.13","","","","","","1.248","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024853","9.332","0.003","20.815","0.007","4.4127","0.0014","90","","90","","90","","857.2","0.5","93","2","93","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C7 H11 F5 O2 -","- C7 H11 F5 O2 -","- C28 H44 F20 O8 -","4","0.5","","Daniel Farran; Alexandra M. Z. Slawin; Peer Kirsch; David O'Hagan","Diastereoselective Synthesis of 2,3,4,5,6-Pentafluoroheptanes","Journal of Organic Chemistry","2009","74","","7168","7171","10.1021/jo901360e","","","0.71073","MoKα","","0.2049","0.1595","","","0.3786","0.4403","","","","","","1.926","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024967","8.384","0.004","19.596","0.011","11.798","0.007","90","","90","","90","","1938.4","1.7","108","2","108","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C30 H22 -","- C30 H22 -","- C120 H88 -","4","0.5","","Marcus Pillekamp; Wasim Alachraf; Iris M. Oppel; Gerald Dyker","Cage Hydrocarbons Derived from Dibenzosuberenone","Journal of Organic Chemistry","2009","74","","8355","8358","10.1021/jo9018057","","","0.71073","MoKα","","0.1029","0.0416","","","0.0689","0.0774","","","","","","0.829","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4025053","11.4996","0.0007","54.937","0.003","12.8226","0.0008","90","","90","","90","","8100.7","0.8","120","","120","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C96 H102 O18 -","- C96 H102 O18 -","- C384 H408 O72 -","4","0.5","","Masahide Tominaga; Hyuma Masu; Isao Azumaya","Construction and Charge-Transfer Complexation of Adamantane-Based Macrocycles and a Cage with Aromatic Ring Moieties","Journal of Organic Chemistry","2009","74","","8754","8760","10.1021/jo9018842","","","0.71073","MoKα","","0.0742","0.0522","","","0.1195","0.1305","","","","","","1.02","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025111","11.217","0.005","13.036","0.006","17.985","0.009","90","","90","","90","","2630","2","113.1","","113","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H30 Cl6 P4 Rh2 -","- C12 H30 Cl6 P4 Rh2 -","- C48 H120 Cl24 P16 Rh8 -","4","0.5","","Taigo Kashiwabara; Kouichirou Fuse; Takeshi Muramatsu; Masato Tanaka","Synthesis of 1,4-Dichloro-1,3-butadienes by Rhodium Complex Catalyzed Reaction of Terminal Alkynes with Trichloroacetyl Chloride","Journal of Organic Chemistry","2009","74","","9433","9439","10.1021/jo902088p","","","0.7107","MoKα","","","0.0416","","","","0.0602","","","","","","0.883","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025370","20.072","0.004","17.495","0.004","9.4424","0.0019","90","","90","","90","","3315.8","1.2","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","6-KetoDipp-nBu-isocyanide","","","- C35 H49 N3 O2 -","- C35 H49 N3 O2 -","- C140 H196 N12 O8 -","4","0.5","","Todd W. Hudnall; Eric J. Moorhead; Dmitry G. Gusev; Christopher W. Bielawski","N,N'-Diamidoketenimines via Coupling of Isocyanides to an N-Heterocyclic Carbene","Journal of Organic Chemistry","2010","75","","2763","2766","10.1021/jo100427g","","","0.71073","MoKα","","0.0901","0.0747","","","0.1362","0.1452","","","","","","1.006","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025372","19.864","0.004","17.853","0.004","9.782","0.002","90","","90","","90","","3469","1.3","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","6-KetoDipp-Cy-isocyanide","","","- C37 H51 N3 O2 -","- C37 H51 N3 O2 -","- C148 H204 N12 O8 -","4","0.5","","Todd W. Hudnall; Eric J. Moorhead; Dmitry G. Gusev; Christopher W. Bielawski","N,N'-Diamidoketenimines via Coupling of Isocyanides to an N-Heterocyclic Carbene","Journal of Organic Chemistry","2010","75","","2763","2766","10.1021/jo100427g","","","0.71073","MoKα","","0.0778","0.0587","","","0.1101","0.1196","","","","","","1.006","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025374","20.389","0.004","18.232","0.004","8.9686","0.0018","90","","90","","90","","3333.9","1.2","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","6-KetoDipp-Ph-isocyanide","","","- C37 H45 N3 O2 -","- C37 H45 N3 O2 -","- C148 H180 N12 O8 -","4","0.5","","Todd W. Hudnall; Eric J. Moorhead; Dmitry G. Gusev; Christopher W. Bielawski","N,N'-Diamidoketenimines via Coupling of Isocyanides to an N-Heterocyclic Carbene","Journal of Organic Chemistry","2010","75","","2763","2766","10.1021/jo100427g","","","0.71073","MoKα","","0.0588","0.049","","","0.1429","0.158","","","","","","1.005","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025375","20.054","0.004","17.777","0.004","9.5644","0.0019","90","","90","","90","","3409.7","1.2","110","2","110","2","","","","","","","","4","P n m a","-P 2ac 2n","62","6-KetoDipp-2,6-dimethylphenylisocyanide","","","- C39 H49 N3 O2 -","- C39 H49 N3 O2 -","- C156 H196 N12 O8 -","4","0.5","","Todd W. Hudnall; Eric J. Moorhead; Dmitry G. Gusev; Christopher W. Bielawski","N,N'-Diamidoketenimines via Coupling of Isocyanides to an N-Heterocyclic Carbene","Journal of Organic Chemistry","2010","75","","2763","2766","10.1021/jo100427g","","","0.71073","MoKα","","0.0654","0.0606","","","0.1692","0.1748","","","","","","1.008","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025463","15.8354","0.0002","15.6986","0.0002","8.4557","0.0001","90","","90","","90","","2102.03","0.05","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H12 Cl2 N6 O4 -","- C20 H12 Cl2 N6 O4 -","- C80 H48 Cl8 N24 O16 -","4","0.5","","Yin Chen; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Functionalization of Homo Heterocalix[2]arene[2]triazines: Versatile Conformation and Cavity Structures Regulated by the Bridging Elements","Journal of Organic Chemistry","2010","75","","3786","3796","10.1021/jo100571c","","","0.71073","MoKα","","0.0527","0.0457","","","0.1103","0.1178","","","","","","1.053","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025532","9.637","0.003","42.948","0.013","9.514","0.003","90","","90","","90","","3938","2","189","2","189","2","","","","","","","","4","P n m a","-P 2ac 2n","62","C6 O16 S6 (H2O)3.5 (H3O)2","","","- C6 H13 O21.5 S6 -","- C6 O21.5 S6 -","- C48 O172 S48 -","8","1","","Evgeny M. Garanin; Yuriy V. Tolmachev; Robert R. Hoover; Sonya Adas; Scott D. Bunge; Mahinda Gangoda; Anatoly K. Khitrin; Stephan M. Woods; Andrey Malkovskiy; Nulifer Solak; Chrys Wesdemiotis","Stability and Ring-Shift Tautomerization of Cyclic Anhydrides of Benzenehexasulfonic Acid","Journal of Organic Chemistry","2010","75","","4860","4863","10.1021/jo1005526","","","0.71073","MoKα","","0.108","0.0602","","","0.1581","0.1915","","","","","","1.119","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4025667","9.288","0.005","14.087","0.007","11.25","0.007","90","","90","","90","","1472","1.4","123.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H14 N2 O2 S -","- C18 H14 N2 O2 S -","- C72 H56 N8 O8 S4 -","4","0.5","","Motonori Watanabe; Kenta Goto; Masahiko Shibahara; Teruo Shinmyozu","Synthesis, Structure, and Electronic and Photophysical Properties of Two- and Three-Layered [3.3]Paracyclophane-Based Donor-Acceptor Systems(1)","Journal of Organic Chemistry","2010","75","","6104","6114","10.1021/jo100688m","","","0.7107","MoKα","","","0.0364","","","","0.1049","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025681","12.759","0.007","10.142","0.005","6.664","0.003","90","","90","","90","","862.3","0.7","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C7 H10 S3 -","- C7 H10 S3 -","- C28 H40 S12 -","4","0.5","","William Clegg; Ross W. Harrington; Michael North; Pedro Villuendas","A Bimetallic Aluminum(salen) Complex for the Synthesis of 1,3-Oxathiolane-2-thiones and 1,3-Dithiolane-2-thiones","Journal of Organic Chemistry","2010","75","","6201","6207","10.1021/jo101121h","","","0.6889","synchrotron","","0.0937","0.0462","","","0.1037","0.1246","","","","","","1.014","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025908","8.05","0.001","39.185","0.011","11.293","0.002","90","","90","","90","","3562.3","1.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C34 H31 F12 N5 O2 P2 -","- C34 H31 F12 N5 O2 P2 -","- C136 H124 F48 N20 O8 P8 -","4","0.5","","Benjamin J. Coe; John Fielden; Simon P. Foxon; Madeleine Helliwell; Inge Asselberghs; Koen Clays; Kurt De Mey; Bruce S. Brunschwig","Syntheses and Properties of Two-Dimensional, Dicationic Nonlinear Optical Chromophores Based on Pyrazinyl Cores","Journal of Organic Chemistry","2010","75","","8550","8563","10.1021/jo101966r","","","0.71069","MoKα","","0.135","0.0966","","","0.2203","0.2354","","","","","","1.081","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025912","7.4785","0.0016","33.557","0.007","10.974","0.002","90","","90","","90","","2754","1","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C30 H27 N7 O8 -","- C30 H28 N7 O8 -","- C120 H112 N28 O32 -","4","0.5","","Benjamin J. Coe; John Fielden; Simon P. Foxon; Madeleine Helliwell; Inge Asselberghs; Koen Clays; Kurt De Mey; Bruce S. Brunschwig","Syntheses and Properties of Two-Dimensional, Dicationic Nonlinear Optical Chromophores Based on Pyrazinyl Cores","Journal of Organic Chemistry","2010","75","","8550","8563","10.1021/jo101966r","","","0.71073","MoKα","","0.1015","0.084","","","0.1547","0.1613","","","","","","1.3","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025941","12.6909","0.0004","8.761","0.0004","8.0814","0.0002","90","","90","","90","","898.53","0.05","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H12 Br Cl O -","- C8.0036 H12.0036 Br1.0018 Cl1.0018 O -","- C32.0144 H48.0144 Br4.0072 Cl4.0072 O4 -","4","0.5","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","0.71073","MoKα","","0.0574","0.0319","","","0.0728","0.0817","","","","","","1.109","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025951","12.2401","0.0004","18.7937","0.0007","11.7298","0.0004","90","","90","","90","","2698.29","0.16","298.1","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C32 H32 O3 Si2 -","- C32 H32 O3 Si2 -","- C128 H128 O12 Si8 -","4","0.5","","Zhiying Jia; Shi Li; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi","Preparation of 6,13-Bis(trimethylsilyl)pentacene and Formation of Second-Ring Diels-Alder Adduct of Pentacene","Journal of Organic Chemistry","2011","76","","293","296","10.1021/jo101774d","","","0.71075","MoKα","","","0.0632","","","","0.1413","","","","","","1.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026029","23.597","0.009","13.366","0.005","6.132","0.003","90","","90","","90","","1934","1.4","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H23 O3 P -","- C22 H23 O3 P -","- C88 H92 O12 P4 -","4","0.5","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0711","0.0679","","","0.1397","0.1414","","","","","","1.256","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026817","6.3379","0.0006","7.6165","0.0004","11.0305","0.0009","90","","90","","90","","532.47","0.07","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F5 Fe H8 N2 -","- F5 Fe N2 -","- F20 Fe4 N8 -","4","0.5","","Fourquet, J L; Le Bail, A; Duroy, H; Moron, M C","(NH4)2FeF5 : crystal structures of its alpha and beta forms","European Journal of Solid State and Inorganic Chemistry","1989","26","","435","443","","","","","","","","","","","","","","","","","","","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026875","12.4218","0.0007","11.3954","0.0007","8.1359","0.0005","90","","90","","90","","1151.65","0.12","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H14 N4 O4 -","- C11 H14 N4 O4 -","- C44 H56 N16 O16 -","4","0.5","","Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day","Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family","Journal of Organic Chemistry","2012","77","","606","611","10.1021/jo2021778","","","0.71073","MoKα","","0.0395","0.0374","","","0.1023","0.1042","","","","","","1.058","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026927","12.561","0.01","14.46","0.011","14.835","0.012","90","","90","","90","","2695","4","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C38 H30 O3 -","- C38 H30 O3 -","- C152 H120 O12 -","4","0.5","","Wen-Xue Niu; Er-Qun Yang; Zi-Fa Shi; Xiao-Ping Cao; Dietmar Kuck","Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives","Journal of Organic Chemistry","2012","77","","1422","1434","10.1021/jo2022668","","","0.71073","MoKα","","0.0831","0.0475","","","0.1051","0.1228","","","","","","1.021","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4027683","14.067","0.003","31.391","0.006","14.279","0.003","90","","90","","90","","6305","2","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C60 H80 N4 O28 S4 -","- C60 H80 N4 O28 S4 -","- C240 H320 N16 O112 S16 -","4","0.5","","Ling Chen; Heng-Yi Zhang; Yu Liu","High Affinity Crown Ether Complexes in Water: Thermodynamic Analysis, Evidence of Crystallography and Binding of NAD+","Journal of Organic Chemistry","2012","77","","9766","9773","10.1021/jo301911w","","","0.71073","MoKα","","0.0441","0.0413","","","0.1031","0.1052","","","","","","1.086","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4028238","8.055","0.0016","6.578","0.0012","22.091","0.003","90","","90","","90","","1170.5","0.4","113","2","113","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H12 N4 O4 -","- C10 H12 N4 O4 -","- C40 H48 N16 O16 -","4","0.5","","Xiao-Jian Li; Jin-Ling Zhang; Yu Geng; Zhong Jin","Nickel-Catalyzed Suzuki-Miyaura Coupling of Heteroaryl Ethers with Arylboronic Acids","Journal of Organic Chemistry","2013","78","","5078","5084","10.1021/jo4005537","","","0.71075","MoKα","","0.0616","0.0467","","","0.1118","0.1221","","","","","","0.987","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028326","10.271","0.009","7.222","0.006","19.244","0.016","90","","90","","90","","1427","2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H11 Br S3 Si -","- C11 H11 Br S3 Si -","- C44 H44 Br4 S12 Si4 -","4","0.5","","Huiliang Sun; Jianwu Shi; Zilong Zhang; Sheng Zhang; Zhaoli Liang; Shisheng Wan; Yanxiang Cheng; Hua Wang","Synthesis and Structure of Bull's Horn-Shaped Oligothienoacene with Seven Fused Thiophene Rings","Journal of Organic Chemistry","2013","78","","6271","6275","10.1021/jo4002036","","","0.71073","MoKα","","0.0748","0.0507","","","0.1108","0.1145","","","","","","1.103","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4029302","12.536","0.003","6.7909","0.0012","18.646","0.004","90","","90","","90","","1587.3","0.6","173","","173","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H9 Cl F5 N S Se -","- C15 H9 Cl F5 N S Se -","- C60 H36 Cl4 F20 N4 S4 Se4 -","4","0.5","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.059","","","","0.1102","","","","","","1.139","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4030154","11.224","0.009","7.138","0.005","9.31","0.006","90","","90","","90","","745.9","0.9","","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cl4 Fe Rb -","- Cl4 Fe Rb -","- Cl16 Fe4 Rb4 -","4","0.5","","Cerisier, J.; Guillot, C.; Palvadeau, P.; Rouxel, J.","Caracterisation et etude de proprietes physiques de conducteurs ioniques MFeCl4 (M = Li, Na, K, Rb, Cs)","European Journal of Solid State and Inorganic Chemistry","1988","25","","35","52","","","x-ray","1.542","CuKα","","","","","","","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030176","9.569","0.002","4.2654","0.0007","20.954","0.003","90","","90","","90","","855.3","0.3","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F7 H5 N2 Sn3 -","- F7.1 N2 Sn3 -","- F28.4 N8 Sn12 -","4","0.5","","Granier, W.; Vilminot, S.","Etude structurale de N2H5Sn3F7","European Journal of Solid State and Inorganic Chemistry","1988","25","","53","64","","","x-ray","0.71069","MoKα","","","0.02","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030180","11.09","0.02","5.543","0.001","6.656","0.002","90","","90","","90","","409.2","0.8","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H2 O6 S Zr -","- O6 S Zr -","- O24 S4 Zr4 -","4","0.5","","El Brahimi, M.; Durand, J.; Cot, L.","Structure cristalline du sulfate basique de zirconium Zr(OH)2SO4","European Journal of Solid State and Inorganic Chemistry","1988","25","","185","189","","","x-ray","0.71069","MoKα","","","0.024","","","","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030258","21.805","0.011","5.426","0.002","23.613","0.008","90","","90","","90","","2794","2","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi8 Mn4 O25.5 Sr8 -","- Bi8 Mn4 O25.52 Sr8 -","- Bi32 Mn16 O102.08 Sr32 -","4","0.5","","Tarascon, J. M.; Le Page, Y.; McKinnon, W. R.","Synthesis and structural aspects of doped and undoped high Tc bismuth cuprates","European Journal of Solid State and Inorganic Chemistry","1990","27","","81","104","","","x-ray","1.542","CuKα","","","0.139","","","","","","","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030273","13.371","0.002","8.8","0.001","13.372","0.003","90","","90","","90","","1573.4","0.5","","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge8 K2 O17 -","- Ge8 K2 O17 -","- Ge32 K8 O68 -","4","0.5","","Harbrecht, B.; Kushauer, J.; Weber, H.-J.","","European Journal of Solid State and Inorganic Chemistry","1990","27","","831","843","","","x-ray","0.56","AgKα","","","0.031","","","0.038","","","","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030356","8.95","0.0007","12.235","0.002","10.174","0.001","90","","90","","90","","1114.1","0.2","","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Fe3 O14 P4 -","- Fe3 O14 P4 -","- Fe12 O56 P16 -","4","0.5","","Ijjaali, M.; Venturini, G.; Gerardin, R.; Malaman, B.; Gleitzer, C.","Synthesis, structure and physical properties of a mixed-valence iron diphosphate Fe3(P2O7)2 ; first example of trigonal prismatic Fe2+ with O2- ligands","European Journal of Solid State and Inorganic Chemistry","1991","28","","983","998","","","x-ray","0.55","AgKα","","","0.034","","","0.036","","","","","","","","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030425","6.0871","0.0036","17.2719","0.0056","6.1285","0.0035","90","","90","","90","","644.3","0.6","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba O2.65 Pb0.3 Tl0.7 -","- Ba O2.5 Pb0.3 Tl0.7 -","- Ba8 O20 Pb2.4 Tl5.6 -","8","1","","Greedan, J.E.; Willmer, K.L.; Gibbs, H.F.","Structural aspects of the metal-insulator transition in BaPb(1-x)TlxO(3-x/2) by neutron diffraction","European Journal of Solid State and Inorganic Chemistry","1992","29","","505","518","","powder diffraction","neutron","1.3915","neutron","","","","","","","","","0.096","","","","","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030426","6.0896","0.0034","17.2726","0.0086","6.1463","0.004","90","","90","","90","","646.5","0.6","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba O2.6 Pb0.2 Tl0.8 -","- Ba O2.5 Pb0.2 Tl0.8 -","- Ba8 O20 Pb1.6 Tl6.4 -","8","1","","Greedan, J.E.; Willmer, K.L.; Gibbs, H.F.","Structural aspects of the metal-insulator transition in BaPb(1-x)TlxO(3-x/2) by neutron diffraction","European Journal of Solid State and Inorganic Chemistry","1992","29","","505","518","","powder diffraction","neutron","1.3915","neutron","","","","","","","","","0.0659","","","","","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030427","6.0873","0.0024","17.2696","0.006","6.2372","0.0028","90","","90","","90","","655.7","0.5","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba O2.55 Pb0.1 Tl0.9 -","- Ba O2.5 Pb0.1 Tl0.9 -","- Ba8 O20 Pb0.8 Tl7.2 -","8","1","","Greedan, J.E.; Willmer, K.L.; Gibbs, H.F.","Structural aspects of the metal-insulator transition in BaPb(1-x)TlxO(3-x/2) by neutron diffraction","European Journal of Solid State and Inorganic Chemistry","1992","29","","505","518","","powder diffraction","neutron","1.3915","neutron","","","","","","","","","0.0805","","","","","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030478","9.6582","0.0009","9.7411","0.0008","5.7155","0.0004","90","","90","","90","","537.72","0.08","","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F8 Li4 Tb -","- F8 Li4 Tb -","- F32 Li16 Tb4 -","4","0.5","","El-Ghozzi, M.; Avignant, D.; Cousseins, J. C.","X-ray powder diffraction study of Li4TbF8","European Journal of Solid State and Inorganic Chemistry","1992","29","","981","992","","powder diffraction","x-ray","1.542","CuKα","","","","","","","","","0.0615","","","","","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030489","9.118","0.001","5.5563","0.0006","11.236","0.001","90","","90","","90","","569.24","0.1","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba F7 Na Zr -","- Ba F7 Na Zr -","- Ba4 F28 Na4 Zr4 -","4","0.5","","Gao, Y.; Guery, J.; Jacoboni, C.","X-ray powder dtructure determination of NaBaZrF7'","European Journal of Solid State and Inorganic Chemistry","1992","29","","1285","1293","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0416","","","","","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030572","21.924","0.0004","37.2892","0.0007","10.7444","0.0002","90","","90","","90","","8783.9","0.3","173","0.1","173","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C101 H109 N O4 S3 Si3 -","- C101 H109 N O4 S3 Si3 -","- C404 H436 N4 O16 S12 Si12 -","4","0.5","","Hammer, Natalie; Shubina, Tatyana E.; Gisselbrecht, Jean-Paul; Hampel, Frank; Kivala, Milan","Synthesis and properties of arylvinylidene-bridged triphenylamines.","The Journal of organic chemistry","2015","80","4","2418","2424","10.1021/jo502605e","","","1.5418","CuKα","","0.0691","0.0607","","","0.1596","0.168","","","","","","1.049","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030802","11.309","0.0008","9.9477","0.0007","16.4911","0.0011","90","","90","","90","","1855.2","0.2","","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C2 Br9 La5 -","- C2 Br9 La5 -","- C8 Br36 La20 -","4","0.5","","Heuer, T.; Steffen, F.; Meyer, G.","Trigonal bipyramidal clusters with one face-capping bromide ligand in [La5(C2)]Br9 and [Ce5(C2)]Br9","European Journal of Solid State and Inorganic Chemistry","1996","33","","265","272","","","x-ray","0.71073","MoKα","","","0.042","","","0.0879","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030803","11.215","0.002","9.8543","0.0012","16.395","0.002","90","","90","","90","","1811.9","0.4","","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C2 Br9 Ce5 -","- C2 Br9 Ce5 -","- C8 Br36 Ce20 -","4","0.5","","Heuer, T.; Steffen, F.; Meyer, G.","Trigonal bipyramidal clusters with one face-capping bromide ligand in [La5(C2)]Br9 and [Ce5(C2)]Br9","European Journal of Solid State and Inorganic Chemistry","1996","33","","265","272","","","x-ray","0.71073","MoKα","","","0.0547","","","0.1399","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030804","6.341","0.002","6.834","0.002","4.3714","0.0009","90","","90","","90","","189.43","0.09","","","13","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Er F3 -","- Er F3 -","- Er4 F12 -","4","0.5","","Kramer, K.; Romstedt, H.; Gudel, H.-U.; Fischer, P.; Murasik, A.; Fernandez-Diaz, M. T.","Three dimensional magnetic structure of ErF3","European Journal of Solid State and Inorganic Chemistry","1996","33","","273","283","","","neutron","1.704","","","","","","","","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030806","5.6075","0.0004","10.9094","0.0007","12.03","0.002","90","","90","","90","","735.93","0.14","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H4 Mn O8 V2 -","- Mn O8 V2 -","- Mn4 O32 V8 -","4","0.5","","Liao, J.-H.; Drezen, T.; Leroux, F.; Guyomard, D.; Piffard, Y.","Synthesis, structures and thermal analysis of MnV2O6.nH2O phases (n = 1, 2 and 4)","European Journal of Solid State and Inorganic Chemistry","1996","33","","411","427","","","x-ray","0.71073","MoKα","","","0.024","","","0.027","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030809","5.995","0.003","3.598","0.001","6.806","0.004","90","","90","","90","","146.81","0.12","","","293","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ca D2 -","- Ca D2 -","- Ca4 D8 -","4","0.5","","Sichla, T.; Jacobs, H.","Single crystal X-ray structure determinations on calcium and strontium deuteride, CaD2 and SrD2","European Journal of Solid State and Inorganic Chemistry","1996","33","","453","461","","","x-ray","0.71073","MoKα","","","0.039","","","0.045","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030810","6.361","0.002","3.857","0.002","7.303","0.004","90","","90","","90","","179.17","0.15","","","293","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- D2 Sr -","- D2 Sr -","- D8 Sr4 -","4","0.5","","Sichla, T.; Jacobs, H.","Single crystal X-ray structure determinations on calcium and strontium deuteride, CaD2 and SrD2","European Journal of Solid State and Inorganic Chemistry","1996","33","","453","461","","","x-ray","0.56087","AgKα","","","0.02","","","0.023","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030840","10.376","0.001","13.726","0.001","9.328","0.001","90","","90","","90","","1328.5","0.2","","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- As3 Co F18 H3 O -","- As3 Co F18 O -","- As12 Co4 F72 O4 -","4","0.5","","Lutar, K.; Zemva, B.; Borrmann, H.","Novel type of oxonium salts H3OM(AsF6)3 (M = Co, Ni): syntheses, structures and some properties","European Journal of Solid State and Inorganic Chemistry","1996","33","","957","969","","","x-ray","0.71069","MoKα","","","0.03","","","0.074","","","","","","","1.334","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030855","14.244","0.009","10.911","0.007","7.32","0.004","90","","90","","90","","1137.6","1.2","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Br5 H11 N3 V -","- Br5 H11 N3 V -","- Br20 H44 N12 V4 -","4","0.5","","Simon, M.; Meyer, G.","Action of ammonium chloride and bromide on vanadium, niobium and tantalum: synthesis and crystal structures of (NH4)2[V(NH3)X5], (NH4)6[{M5(NH)4}X17], (NH4)2[Ta2NX10] (X = Cl, Br)","European Journal of Solid State and Inorganic Chemistry","1997","34","","73","84","","","x-ray","0.71073","MoKα","","","0.035","","","0.0687","","","","","","","","","","","has coordinates","189051","2020-10-21","18:00:00",""
"4030883","7.352","0.002","5.561","0.001","9.642","0.003","90","","90","","90","","394.21","0.18","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- K O4 P Sr -","- K O4 P Sr -","- K4 O16 P4 Sr4 -","4","0.5","","El Ammari, L.; El Koumiri, M.; Depmeier, W.; Hesse, K.-F.; Elouadi, B.","The crystal structure of the monophosphate KSrPO4","European Journal of Solid State and Inorganic Chemistry","1997","34","","563","569","","","x-ray","0.71069","MoKα","","","0.039","","","0.026","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030889","16.622","0.004","15.739","0.003","7.626","0.002","90","","90","","90","","1995.1","0.8","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H31 La N10 S6 -","- La N10 S6 -","- La4 N40 S24 -","4","0.5","","Schimek, G. L.; Young, D. M.; Kolis, J. W.","(NH4)[La(NH3)9]S5S : A lanthanum ammine salt of a peculiarly disordered S5 (2-) chain","European Journal of Solid State and Inorganic Chemistry","1997","34","","1037","1050","","","x-ray","0.71073","MoKα","","","0.0315","","","0.0339","","","","","","","1.91","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030893","12.756","0.004","25.514","0.005","8.035","0.002","90","","90","","90","","2615","1.2","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi Cl6 H4 N -","- Bi1.5 Cl5.5 N2.5 -","- Bi12 Cl44 N20 -","8","1","","Belkyal, I.; Mokhlisse, R.; Tanouti, B.; Hesse, K.-F.; Depmeier, W.","Crystal structure of (NH4)3BiCl6","European Journal of Solid State and Inorganic Chemistry","1997","34","","1085","1091","","","x-ray","0.71069","MoKα","","","0.05","","","0.106","","","","","","","1.934","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030908","12.175","0.002","4.37","0.001","11.828","0.002","90","","90","","90","","629.3","0.2","","","291","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Te3 U2 -","- Te3 U2 -","- Te12 U8 -","4","0.5","","Tougait, O.; Potel, M.; Levet, J. C.; Noel, H.","Crystal structure and magnetic properties of the diuranium tritelluride U~2~Te~3~","European Journal of Solid State and Inorganic Chemistry","1998","35","1","67","76","10.1016/S0992-4361(98)80015-5","","x-ray","0.71073","MoKα","","","0.03","","","0.035","","","","","","","","","","","has coordinates","182187","2020-10-21","18:00:00",""
"4030921","9.9858","0.0007","10.3811","0.0006","10.4107","0.0006","90","","90","","90","","1079.21","0.12","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As Na Nb4 O13 -","- As Na Nb4 O13 -","- As4 Na4 Nb16 O52 -","4","0.5","","Bestaoui, N.; Verbaere, A.; Piffard, Y.; Coulibaly, V.; Zah-Letho, J.","Crystal structure of the arsenate NaNb~4~O~9~AsO~4~. A framework structure with diffusion pathways","European Journal of Solid State and Inorganic Chemistry","1998","35","6-7","473","482","10.1016/S0992-4361(98)80024-6","","x-ray","0.71073","MoKα","","","0.028","","","0.046","","","","","","","","","","","has coordinates","182189","2020-10-21","18:00:00",""
"4031202","10.88","","7.366","","8.473","","90","","90","","90","","679.044","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","O S F3 As F6","","- As F9 O S -","- As F9 O S -","- As4 F36 O4 S4 -","4","0.5","","Lau, C.; Lynton, H.; Passmore, J.; Siew, P.Y.","Crystal structure of trifluoro-oxosulphur(VI) hexafluoroarsenate(V), (O S F3)(+) (As F6)(-)","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1973","1973","","2535","2538","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031246","12.29","","10.644","","9.377","","90","","90","","90","","1226.65","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K3 Hg (N O2)4 N O3","","- Hg K3 N5 O11 -","- Hg K3 N5 O11 -","- Hg4 K12 N20 O44 -","4","0.5","","Power, L.F.; King, J.A.; Moore, F.H.","Refinement of the crystal and molecular structure of potassiumnitritomercurate(II) nitrate by neutron diffraction","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1976","1976","","93","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031358","16.798","0.013","7.072","0.005","9.043","0.007","90","","90","","90","","1074.3","1.4","125","","125","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H4 B F9 N2 S -","- C6 H4 B F9 N2 S -","- C24 H16 B4 F36 N8 S4 -","4","0.5","","Iakobson, George; Du, Junyi; Slawin, Alexandra M. Z.; Beier, Petr","Pyridine-promoted dediazoniation of aryldiazonium tetrafluoroborates: Application to the synthesis of SF5-substituted phenylboronic esters and iodobenzenes.","Beilstein journal of organic chemistry","2015","11","","1494","1502","10.3762/bjoc.11.162","","","0.71075","MoKα","","","0.0806","","","","0.2938","","","","","","1.328","","","","has coordinates","160569","2020-10-21","18:00:00",""
"4031375","7.96","","6.52","","7.1","","90","","90","","90","","368.484","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Si H3 N C O","","- C H3 N O Si -","- C H3 N O Si -","- C4 H12 N4 O4 Si4 -","4","0.5","","Barrow, M.J.; Ebsworth, E.A.V.; Harding, M.M.","Crystal and molecular structures of Silyl Isocyanate (at-135 C) and of Germyl Isocyanate (at-95 C)","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1980","1980","","1838","1844","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031376","8.01","","6.67","","6.97","","90","","90","","90","","372.384","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Ge H3 N C O","","- C H3 Ge N O -","- C H3 Ge N O -","- C4 H12 Ge4 N4 O4 -","4","0.5","","Barrow, M.J.; Ebsworth, E.A.V.; Harding, M.M.","Crystal and molecular structures of silyl isocyanate (at-135 C) and of germyl isocyanate (at-95 C)","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1980","1980","","1838","1844","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031398","8.45","","13.483","","13.569","","90","","90","","90","","1545.93","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","(N H4) (U O2) F (Se O4) (H2 O)","","- F H6 N O7 Se U -","- F N O7 Se U -","- F8 N8 O56 Se8 U8 -","8","1","","Blatov, V.A.; Serezhkina, L.B.; Serezhkin, V.N.; Trunov, V.K.","The Crystal Structure of N H4 U O2 F (Se O4) H2 O","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1989","34","","91","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031412","15.3","","13.64","","8.16","","90","","90","","90","","1702.93","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Re (C O)6) (Re2 F11)","","- C6 F11 O6 Re3 -","- C6 F11 O6 Re3 -","- C24 F44 O24 Re12 -","4","0.5","","Bruce, D.M.; Holloway, J.H.; Russell, D.R.","Rhenium carbonyl fluorides. Preparation, crystal structure, and some properties of hexacarbonylrhenium(I) mue-fluoro-bis(pentafluororhenate(V))","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1978","1978","","1627","1631","","","","","","","","","","","","","","","","","","","","","","has coordinates","154205","2020-10-21","18:00:00",""
"4031453","10.547","","6.065","","5.134","","90","","90","","90","","328.409","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Li2 (U O4)","","- Li2 O4 U -","- Li2 O4 U -","- Li8 O16 U4 -","4","0.5","","Gebert, E.; Hoekstra, H.R.; Reis, A.H.jr.; Peterson, S.W.","The crystal structure of lithium uranate","Journal of Inorganic and Nuclear Chemistry","1978","40","","65","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031466","12.451","","9.534","","12.27","","90","","90","","90","","1456.55","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","((N H3)3 (Mn (C O)3)) (Mn (C O)5)","","- C8 H9 Mn2 N3 O8 -","- C8 H9 Mn2 N3 O8 -","- C32 H36 Mn8 N12 O32 -","4","0.5","","Herberhold, M.; Wehrmann, F.; Neugebauer, D.; Huttner, G.","Die photo-induzierte Reaktion von Dekacarbonyl-dimangan mit Ammoniak; Kristall-und Molekuelstruktur des Produkts (fac- Mn (C O)3 (N H3)3) (Mn (C O)5)","Journal of Organometallic Chemistry","1978","152","","329","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","155054","2020-10-21","18:00:00",""
"4031573","12.169","","5.441","","9.164","","90","","90","","90","","606.762","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Na2 (Fe (H P O3)2)","","- Fe H2 Na2 O6 P2 -","- Fe H2 Na2 O6 P2 -","- Fe4 H8 Na8 O24 P8 -","4","0.5","","Liu, W.; Chen, H.-H.; Yang, X.X.; Zhao, J.T.","Two novel transition-metal phosphite compounds with 4-, 6- and 12-membered rings: hydrothermal syntheses, crystal structures and magnetic properties of Na2 [M (H P O3)2] (M = Fe, Co)","European Journal of Inorganic Chemistry","2005","2005","","946","951","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031574","12.091","","5.3998","","9.115","","90","","90","","90","","595.109","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Na2 (Co (H P O3)2)","","- Co H2 Na2 O6 P2 -","- Co H2 Na2 O6 P2 -","- Co4 H8 Na8 O24 P8 -","4","0.5","","Liu, W.; Chen, H.-H.; Zhao, J.T.; Yang, X.X.","Two novel transition-metal phosphite compounds with 4-, 6- and 12-membered rings: hydrothermal syntheses, crystal structures and magnetic properties of Na2 [M (H P O3)2] (M = Fe, Co)","European Journal of Inorganic Chemistry","2005","2005","","946","951","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031578","15.725","","10.526","","5.275","","90","","90","","90","","873.125","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs (Pd2 Cl5)","","- Cl5 Cs Pd2 -","- Cl5 Cs Pd2 -","- Cl20 Cs4 Pd8 -","4","0.5","","Schuepp, B.; Keller, H.L.","Cs Pd2 Cl5 - a new structural type containing (1 infty)((Pd Cl3/2 Cl)2(-)) chains","European Journal of Inorganic Chemistry","2001","2001","","1431","1435","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031616","6.8427","","3.6134","","8.3222","","90","","90","","90","","205.77","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Hf0.84 Ti1.16 As","","- As Hf0.84 Ti1.16 -","- As Hf0.842 Ti1.16 -","- As4 Hf3.368 Ti4.64 -","4","0.5","","Derakhshan, S.; Dashjav, E.; Kleinke, H.","The predicted Structures of the New Pnictides HfMQ in Contrast to Zr M Q (M = Ti, V; Q = P, As)","European Journal of Inorganic Chemistry","2004","2004","","1183","1189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031617","6.741","","3.5888","","8.0733","","90","","90","","90","","195.31","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Hf0.97 V1.03 As","","- As Hf0.97 V1.03 -","- As Hf0.971 V1.032 -","- As4 Hf3.884 V4.128 -","4","0.5","","Derakhshan, S.; Dashjav, E.; Kleinke, H.","The predicted Structures of the New Pnictides HfMQ in Contrast to Zr M Q (M = Ti, V; Q = P, As)","European Journal of Inorganic Chemistry","2004","2004","","1183","1189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031618","6.6973","","3.5706","","8.0208","","90","","90","","90","","191.804","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Hf0.92 V1.08 As","","- As Hf0.92 V1.08 -","- As Hf0.916 V1.08 -","- As4 Hf3.664 V4.32 -","4","0.5","","Derakhshan, S.; Dashjav, E.; Kleinke, H.","The predicted Structures of the New Pnictides HfMQ in Contrast to Zr M Q (M = Ti, V; Q = P, As)","European Journal of Inorganic Chemistry","2004","2004","","1183","1189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031619","6.8051","","3.6041","","8.293","","90","","90","","90","","203.396","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Hf0.61 Ti1.39 As","","- As Hf0.61 Ti1.39 -","- As Hf0.602 Ti1.4 -","- As4 Hf2.408 Ti5.6 -","4","0.5","","Derakhshan, S.; Dashjav, E.; Kleinke, H.","The predicted Structures of the New Pnictides HfMQ in Contrast to Zr M Q (M = Ti, V; Q = P, As)","European Journal of Inorganic Chemistry","2004","2004","","1183","1189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031630","14.9251","","6.0607","","8.546","","90","","90","","90","","773.042","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cu4 V2 (O H)2 O8","","- Cu4 H2 O10 V2 -","- Cu4 H2 O10 V2 -","- Cu16 H8 O40 V8 -","4","0.5","","Wu Chuande; Lu Canzhong; Zhuang Honghui; Huang Jinshun","Synthesis, crystal structure and characterization of a novel three-dimensional polymer: (Cu4 V2 (O H)2 O8)","European Journal of Inorganic Chemistry","2003","2003","","2867","2871","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031646","7.06","","4.12","","8.47","","90","","90","","90","","246.369","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","U S2","","- S2 U -","- S2 U -","- S8 U4 -","4","0.5","","Ellert, G.V.; Kuz'micheva, G.M.; Slovyanskikh, V.K.; Eliseev, A.A.; Morozov, S.P.","Morphological and structural investigations of crystals of uranium chalcogenides","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1974","19","","1548","1551","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031647","7.57","","4.26","","8.97","","90","","90","","90","","289.266","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","U Se2","","- Se2 U -","- Se2 U -","- Se8 U4 -","4","0.5","","Ellert, G.V.; Kuz'micheva, G.M.; Eliseev, A.A.; Slovyanskikh, V.K.; Morozov, S.P.","Morphological and structural investigations of crystals of uranium chalcogenides","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1974","19","","1548","1551","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031803","12.23","","11.33","","6.61","","90","","90","","90","","915.921","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(C O)5 Cr (P H3)","","- C5 H3 Cr O5 P -","- C5.0001 Cr O5.0001 P0.9999 -","- C20.0004 Cr4 O20.0004 P3.9996 -","4","0.5","","Huttner, G.; Schelle, S.","Kristall- und Molekuelstruktur von zwei Metallcarbonylderivaten des P H3: (C O)3 Cr (P H3)3 und (C O)5 Cr (P H3)","Journal of Organometallic Chemistry","1973","47","","383","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031990","25.328","0.005","6.6951","0.0013","10.795","0.002","90","","90","","90","","1830.5","0.6","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H19 B F4 N4 O2 Pd -","- C14 H19 B F4 N4 O2 Pd -","- C56 H76 B4 F16 N16 O8 Pd4 -","4","0.5","","Nishikata, Takashi; Abela, Alexander R.; Huang, Shenlin; Lipshutz, Bruce H.","Cationic Pd(II)-catalyzed C-H activation/cross-coupling reactions at room temperature: synthetic and mechanistic studies.","Beilstein journal of organic chemistry","2016","12","","1040","1064","10.3762/bjoc.12.99","","","0.71073","MoKα","","0.0455","0.0392","","","0.0989","0.101","","","","","","1.345","","","","has coordinates","185005","2020-10-21","18:00:00",""
"4032048","14.63","0.007","11.834","0.006","10.513","0.005","90","","90","","90","","1820.1","1.5","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C92 H88 O8 -","4","0.5","","Kotha, Sambasivarao; Gunta, Rama","Bridgehead vicinal diallylation of norbornene derivatives and extension to propellane derivatives via ring-closing metathesis.","Beilstein journal of organic chemistry","2016","12","","1877","1883","10.3762/bjoc.12.177","","","0.71075","MoKα","","0.0499","0.0429","","","0.0959","0.1003","","","","","","1.097","","","","has coordinates","188921","2020-10-21","18:00:00",""
"4032122","10.8401","0.0012","7.0137","0.0008","11.9424","0.0015","90","","90","","90","","907.97","0.18","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H5 Br I N -","- C8 H5 Br I N -","- C32 H20 Br4 I4 N4 -","4","0.5","","Das, Riki; Kapur, Manmohan","Palladium-Catalyzed, ortho-Selective C-H Halogenation of Benzyl Nitriles, Aryl Weinreb Amides, and Anilides.","The Journal of organic chemistry","2017","82","2","1114","1126","10.1021/acs.joc.6b02731","","","0.71073","MoKα","","0.0393","0.0315","","","0.1127","0.1196","","","","","","0.976","","","","has coordinates","193580","2020-10-21","18:00:00",""
"4032267","14.3441","0.0004","40.3816","0.0009","11.4691","0.0003","90","","90","","90","","6643.3","0.3","200","","200","","","","","","","","","6","P n m a","-P 2ac 2n","62","","{(t-BuC6H4)3CCONH}2C6H3SI-DME","","- C74 H93 I N2 O4 S -","- C74 H93 I N2 O4 S -","- C296 H372 I4 N8 O16 S4 -","4","0.5","","Okamura, Taka-Aki; Kaga, Toshihisa; Yamashita, Satoshi; Furuya, Ryosuke; Onitsuka, Kiyotaka","Snapshot of Oxidation of Thiolate by Diiodine: Stabilization of Intermediate by NH···S Hydrogen Bonds.","The Journal of organic chemistry","2017","82","4","2187","2192","10.1021/acs.joc.7b00160","","","0.71075","MoKα","","0.0812","0.0541","","","0.1269","0.1397","","","","","","1.026","","","","has coordinates,has disorder","193256","2020-10-21","18:00:00",""
"4032354","13.5139","0.0006","16.1835","0.001","7.1844","0.0004","90","","90","","90","","1571.24","0.15","120","0.1","120","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H15 O4 P -","- C18 H15 O4 P -","- C72 H60 O16 P4 -","4","0.5","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0646","0.0465","","","0.1099","0.1206","","","","","","1.054","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032762","15.9473","0.0015","33.829","0.004","6.8715","0.0009","90","","90","","90","","3707","0.7","133","2","133","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C42 H46 N6 O2 -","- C42 H46 N6 O2 -","- C168 H184 N24 O8 -","4","0.5","","Gampe, Dominique Mario; Schramm, Stefan; Ziemann, Steffen; Westerhausen, Matthias; Görls, Helmar; Naumov, Panče; Beckert, Rainer","From Highly Fluorescent Donors to Strongly Absorbing Acceptors: The Tunable Properties of Fluorubines.","The Journal of organic chemistry","2017","82","12","6153","6162","10.1021/acs.joc.7b00676","","","0.71073","MoKα","","0.2107","0.1051","","","0.1767","0.2152","","","","","","1.134","","","","has coordinates","200340","2020-10-21","18:00:00",""
"4033309","13.1837","0.0014","7.2636","0.0008","10.4068","0.0011","90","","90","","90","","996.57","0.19","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C14 H11 N -","- C14 H11 N -","- C56 H44 N4 -","4","0.5","","Al-Huniti, Mohammed H; Sullivan, Zachary B.; Stanley, Jarrod L.; Carson, James A.; Hyatt, I. F. Dempsey; Hairston, A. Christina; Croatt, Mitchell P.","Hypervalent Iodonium Alkynyl Triflate Generated Phenylcyanocarbene and Its Reactivity with Aromatic Systems.","The Journal of organic chemistry","2017","82","22","11772","11780","10.1021/acs.joc.7b01608","","","0.71073","MoKα","","0.0505","0.0452","","","0.1219","0.128","","","","","","1.058","","","","has coordinates","204740","2020-10-21","18:00:00",""
"4033827","14.0671","0.001","9.6321","0.0007","13.0463","0.0009","90","","90","","90","","1767.7","0.2","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C10 H22 Cl2 Cu N2 O8 S2 -","- C10 H22 Cl2 Cu N2 O8 S2 -","- C40 H88 Cl8 Cu4 N8 O32 S8 -","4","0.5","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","0.71073","MoKα","","0.1263","0.1251","","","0.3006","0.301","","","","","","1.326","","","","has coordinates,has disorder","222402","2020-10-21","18:00:00",""
"4033928","17.2486","0.0002","10.17867","0.00017","6.17147","0.00011","90","","90","","90","","1083.51","0.03","101.95","0.1","101.95","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","1-(4-nitrophenyl)-4-chloro-piperidine","1-(4-nitrophenyl)-4-chloro-piperidine","","- C11 H13 Cl N2 O2 -","- C11 H13 Cl N2 O2 -","- C44 H52 Cl4 N8 O8 -","4","0.5","","Ebule, Rene; Mudshinge, Sagar; Nantz, Michael H.; Mashuta, Mark S.; Hammond, Gerald B.; Xu, Bo","A 5 + 1 Protic Acid Assisted Aza-Pummerer Approach for Synthesis of 4-Chloropiperidines from Homoallylic Amines.","The Journal of organic chemistry","2019","84","6","3249","3259","10.1021/acs.joc.8b03162","","","0.71073","MoKα","","0.0364","0.032","","","0.0722","0.0746","","","","","","1.042","","","","has coordinates","222504","2020-10-21","18:00:00",""
"4034654","13.0333","0.0003","6.8004","0.0002","17.1688","0.0004","90","","90","","90","","1521.7","0.07","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C68 H76 N12 O12 -","4","0.5","","Kumar, Manoj; Verma, Shalini; Mishra, Pawan K.; Verma, Akhilesh K.","Cu(II)-Mediated Ortho-C-H Amination of Arenes with Free Amines.","The Journal of organic chemistry","2019","84","12","8067","8079","10.1021/acs.joc.9b00931","","","0.71073","MoKα","","0.0421","0.0377","","","0.0935","0.0965","","","","","","1.073","","","","has coordinates","223131","2020-10-21","18:00:00",""
"4035162","20.197","0.004","21.108","0.004","10.26","0.002","90","","90","","90","","4374","1.5","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H34 Cl2 N12 O4 -","- C30 H34 Cl2 N12 O4 -","- C120 H136 Cl8 N48 O16 -","4","0.5","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.0588","0.0587","","","0.1696","0.1696","","","","","","1.138","","","","has coordinates","226642","2020-10-21","18:00:00",""
"4035372","15.858","0.002","6.8927","0.001","9.0764","0.0012","90","","90","","90","","992.1","0.2","99.99","0.18","99.99","0.18","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C52 H40 N8 O4 -","4","0.5","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","1.54184","CuKα","","0.0693","0.0503","","","0.1159","0.1314","","","","","","1.021","","","","has coordinates","226829","2020-10-21","18:00:00",""
"4035898","13.5965","0.0005","10.4773","0.0004","8.6767","0.0004","90","","90","","90","","1236.04","0.09","93","","93","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H17 Cl N2 -","- C14 H17 Cl N2 -","- C56 H68 Cl4 N8 -","4","0.5","","Ando, Shin; Miyata, Ryota; Matsunaga, Hirofumi; Ishizuka, Tadao","Influences of Phenyl Rings on NHC Ligands with Bicyclic Architectures.","The Journal of organic chemistry","2019","84","1","128","139","10.1021/acs.joc.8b02480","","","0.71075","MoKα","","0.038","0.0347","","","0.085","0.0882","","","","","","1.127","","","","has coordinates","227298","2020-10-21","18:00:00",""
"4035948","21.244","0.003","19.83","0.003","14.957","0.002","90","","90","","90","","6300.9","1.6","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Lu2@C2v-C82 NHC","Lu2@C3v-C82 NHC","","- C106 H24 Lu2 N2 S6 -","- C106 H24 Lu1.9978 N2 S6 -","- C424 H96 Lu7.9912 N8 S24 -","4","0.5","","Shen, Wangqiang; Yang, Le; Wu, Yongbo; Bao, Lipiao; Li, Ying; Jin, Peng; Fang, Hongyun; Xie, Yunpeng; Lu, Xing","Reactions between N-Heterocyclic Carbene and Lutetium-Metallofullerenes: High Regioselectivity Directed by Electronic Effect in Addition to Steric Hindrance.","The Journal of organic chemistry","2019","84","2","606","612","10.1021/acs.joc.8b02423","","","0.71073","MoKα","","0.1712","0.1581","","","0.372","0.381","","","","","","1.088","","","","has coordinates,has disorder","227341","2020-10-21","18:00:00",""
"4036304","7.6572","0.0006","9.1842","0.0008","15.6746","0.0012","90","","90","","90","","1102.32","0.15","120","","120","","","","","","","","","4","P n m a","-P 2ac 2n","62","","phenyl-2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3carboxylate","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","0.5","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0465","0.0415","","","0.111","0.1149","","","","","","1.081","","","","has coordinates,has disorder","234529","2020-10-21","18:00:00",""
"4036523","26.828","0.003","21.29","0.002","8.1758","0.0008","90","","90","","90","","4669.8","0.8","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","3 in paper","","","- C50 H58 Cl4 O6 -","- C50 H58 Cl4 O6 -","- C200 H232 Cl16 O24 -","4","0.5","","Rüdiger, Elias C; Rominger, Frank; Steuer, Lena; Bunz, Uwe H. F.","Synthesis of Substituted Trinaphthylenes.","The Journal of organic chemistry","2016","81","1","193","196","10.1021/acs.joc.5b02481","","","0.71073","MoKα","","0.1222","0.0884","","","0.2314","0.2601","","","","","","1.048","","","","has coordinates,has disorder","234810","2020-10-21","18:00:00",""
"4036773","12.5451","0.0007","29.7417","0.0018","8.8141","0.0005","90","","90","","90","","3288.7","0.3","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Compound 10","7,14-diphenylnaphtho[2,3-k]fluoranthene-8,13-dione bis(chloroform) solvate","","- C38 H22 Cl6 O2 -","- C38 H22 Cl6 O2 -","- C152 H88 Cl24 O8 -","4","0.5","","Geng, Xin; Mague, Joel T.; Donahue, James P.; Pascal, Jr, Robert A","Hairpin Furans and Giant Biaryls.","The Journal of organic chemistry","2016","81","9","3838","3847","10.1021/acs.joc.6b00492","","","0.71073","MoKα","","0.0604","0.0482","","","0.1242","0.1326","","","","","","1.093","","","","has coordinates","235217","2020-10-21","18:00:00",""
"4036915","23.207","0.004","6.8396","0.0013","13.769","0.003","90","","90","","90","","2185.5","0.7","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H18 Cl3 I N2 S -","- C20 H18 Cl3 I N2 S -","- C80 H72 Cl12 I4 N8 S4 -","4","0.5","","Guan, Li; Li, Anyang; Song, Yinyin; Yan, Mengqi; Gao, Dengfeng; Zhang, Xianghan; Li, Bin; Wang, Lanying","Nonplanar Monocyanines: Meso-Substituted Thiazole Orange with High Photostability and Their Synthetic Strategy as well as a Cell Association Study.","The Journal of organic chemistry","2016","81","15","6303","6313","10.1021/acs.joc.6b00928","","","0.71073","MoKα","","0.0428","0.0313","","","0.0792","0.0844","","","","","","1.005","","","","has coordinates","235408","2020-10-21","18:00:00",""
"4037110","11.669","0.002","33.953","0.007","10.21","0.002","90","","90","","90","","4045.2","1.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H36 Cl0 O3 S7 Si4 -","- C28 H36 O3 S7 Si4 -","- C112 H144 O12 S28 Si16 -","4","0.5","","Liu, Qiuxin; Gao, Xiuxiu; Zhong, Hao; Song, Jinsheng; Wang, Hua","Planar Heptathienoacenes Based on Unsymmetric Dithieno[3,2-b:3',4'-d]thiophene: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2016","81","18","8612","8616","10.1021/acs.joc.6b01506","","","0.71073","MoKα","","0.0963","0.0636","","","0.1597","0.1804","","","","","","1.085","","","","has coordinates","235673","2020-10-21","18:00:00",""
"4037148","12.7798","0.001","15.4587","0.0011","19.4909","0.0011","90","","90","","90","","3850.6","0.5","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H42.5 Cl6 N8 O6.25 -","- C34 H42 Cl6 N8 O6.25 -","- C136 H168 Cl24 N32 O25 -","4","0.5","","Lizal, Tomas; Ustrnul, Lukas; Necas, Marek; Sindelar, Vladimir","Propanediurea-Based Molecular Clips Bind Halide Anions: An Insight into the Mechanism of Cucurbituril Formation.","The Journal of organic chemistry","2016","81","19","8906","8910","10.1021/acs.joc.6b01602","","","0.71073","MoKα","","0.0678","0.0365","","","0.0783","0.0827","","","","","","0.874","","","","has coordinates","235718","2020-10-21","18:00:00",""
"4037616","19.766","0.004","9.0401","0.0015","4.6202","0.0008","90","","90","","90","","825.6","0.3","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H6 Br F3 -","- C8 H6 Br F3 -","- C32 H24 Br4 F12 -","4","0.5","","Bugera, Maksym; Trofymchuk, Serhii; Tarasenko, Karen; Zaporozhets, Olga; Pustovit, Yurii; Mykhailiuk, Pavel K.","Deoxofluorination of Aliphatic Carboxylic Acids: a Route to Trifluoromethyl-Substituted Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02596","","","0.71073","MoKα","","0.0386","0.027","","","0.0566","0.0597","","","","","","1.054","","","","has coordinates","243745","2020-10-21","18:00:00",""
"4038099","9.7717","0.0016","8.6052","0.0011","6.3132","0.0009","90","","90","","90","","530.86","0.13","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H7 N O2 S -","- C4 H7 N O2 S -","- C16 H28 N4 O8 S4 -","4","0.5","","Blahun, Oleksandr P.; Rozhenko, Alexander B.; Rusanov, Eduard; Zhersh, Serhii; Tolmachev, Andrey A.; Volochnyuk, Dmitriy M.; Grygorenko, Oleksandr O.","Twisting and turning the sulfonamide bond: synthetic, quantum chemical and crystallographic study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03394","","","0.71073","MoKα","","0.0447","0.036","","","0.09","0.0949","","","","","","1.057","","","","has coordinates","249676","2020-10-21","18:00:00",""
"4038115","15.3775","0.0011","7.2583","0.0006","11.0501","0.0009","90","","90","","90","","1233.35","0.17","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H8 O2 S2 -","- C15 H8 O2 S2 -","- C60 H32 O8 S8 -","4","0.5","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.056","0.0475","","","0.1193","0.1243","","","","","","1.131","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4039003","9.4974","0.0005","20.7529","0.0009","4.8353","0.0003","90","","90","","90","","953.03","0.09","100","","100","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C13 H10 O2 -","- C13 H10 O2 -","- C52 H40 O8 -","4","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0518","0.0408","","","0.0913","0.0962","","","","","","1.139","","","","has coordinates,has Fobs","276097","2022-06-18","15:04:07",""
"4060020","7.5359","0.0012","14.847","0.002","7.8287","0.0012","90","","90","","90","","875.9","0.2","673","2","673","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd5 Ge1.95 Si2.05 -","- Gd5 Ge1.955 Si2.045 -","- Gd20 Ge7.82 Si8.18 -","4","0.5","","Yurij Mozharivskyj; Alexandra O. Pecharsky; Vitalij K. Pecharsky; Gordon J. Miller","On the High-Temperature Phase Transition of Gd5Si2Ge2","Journal of the American Chemical Society","2005","127","","317","324","10.1021/ja048679k","","","0.71073","MoKα","","0.0506","0.0377","","","0.0766","0.0809","","","","","","1.011","","","","has coordinates","277847","2022-09-14","22:27:58",""
"4060194","17.985","0.002","26.557","0.004","12.191","0.001","90","","90","","90","","5823","1","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H20 N6 Ni O2 -","- C30 H20 N6 Ni O2 -","- C240 H160 N48 Ni8 O16 -","8","1","","Tomasz Fekner; Judith Gallucci; Michael K. Chan","Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands","Journal of the American Chemical Society","2004","126","","223","236","10.1021/ja030196d","","","0.71073","MoKα","","0.0858","0.0632","","0.1935","0.1828","","","","1.073","1.218","1.218","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060230","18.34","0.004","10.932","0.002","9.062","0.002","90","","90","","90","","1816.9","0.7","100","1","100","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H24 Al Cl3 O4 Zr -","- C10 H24 Al Cl3 O4 Zr -","- C40 H96 Al4 Cl12 O16 Zr4 -","4","0.5","","Józef Utko; Agnieszka Lizurek; Lucjan B. Jerzykiewicz; Piotr Sobota","Syntheses and Molecular Structure of [Mg2(OR)4(AlMe3)2] and [ZrCl3(OR)2(AlMe2)] (OR =1-methoxy-2-propoxide)","Organometallics","2004","23","","296","298","10.1021/om034263o","","","0.71073","MoKα","","0.0397","0.0298","","","0.0809","0.0846","","","","","","1.064","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060237","7.3262","0.0001","24.2772","0.0002","15.2064","0.0003","90","","90","","90","","2704.6","0.07","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H14 Au F10 O4 Tl3 -","- C22 H14 Au F10 O4 Tl3 -","- C88 H56 Au4 F40 O16 Tl12 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om034167n","","","0.71073","MoKα","","0.0366","0.0242","","","0.0494","0.0532","","","","","","1.067","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060319","22.5729","0.0013","16.3209","0.0008","8.7729","0.0006","90","","90","","90","","3232","0.3","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C32 H56 B F4 P Ru2 -","- C32 H56 B F4 P Ru2 -","- C128 H224 B4 F16 P4 Ru8 -","4","0.5","","Dorcier, Antoine; Dyson, Paul J.; Gossens, Christian; Rothlisberger, Ursula; Scopelliti, Rosario","Binding of organometallic ruthenium(II) and osmium(II) complexes to an oligonucleotide: a combined mass spectometric and theoretical study.","Organometallics","2005","","","","","10.1021/om049025n","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060348","13.127","0.0002","12.648","0.0002","13.745","0.0003","90","","90","","90","","2282.09","0.07","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Ir-Cl","","","- C9.5 H13.5 Cl0.5 F3 Ir0.5 N2 P0.5 -","- C9.5 H14 Cl0.5 F3 Ir0.5 N2 P0.5 -","- C76 H112 Cl4 F24 Ir4 N16 P4 -","8","1","","Vogl, Matthias; Pons, Vincent; Heinekey, D. Michael","Synthesis and Characterization of a Dicationic Dihydrogen Complex of Iridium with a Bis-carbene Ligand Set","Organometallics","2005","24","8","1832","1836","10.1021/om049045p","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060349","13.951","0.0008","12.273","0.0008","13.842","0.001","90","","90","","90","","2370","0.3","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Ir-I","","","- C19 H27 F6 I Ir N4 P -","- C19 H27 F6 I Ir N4 P -","- C76 H108 F24 I4 Ir4 N16 P4 -","4","0.5","","Vogl, Matthias; Pons, Vincent; Heinekey, D. Michael","Synthesis and Characterization of a Dicationic Dihydrogen Complex of Iridium with a Bis-carbene Ligand Set","Organometallics","2005","24","8","1832","1836","10.1021/om049045p","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060374","28.5808","0.0008","8.5395","0.0002","9.5463","0.0003","90","","90","","90","","2329.92","0.11","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H29 I N2 Ru S3 -","- C19 H29 I N2 Ru S3 -","- C76 H116 I4 N8 Ru4 S12 -","4","0.5","","Hon Man Lee","","Organometallics","2005","","","","","10.1021/om049081o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4060575","18.1491","0.0003","8.1751","0.0001","14.3414","0.0002","90","","90","","90","","2127.84","0.05","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","?","- C48 H40 As8 Cl8 F48 N8 Ti4 -","- C48 H40 As8 Cl8 F48 N8 Ti4 -","","","","Margret-Jane Crawford; Peter Mayer; Heinrich Nöth; Max Suter","Facile Synthesis and Structural Characterization of [Cp2Ti(IV)(NCX)2][AsF6]2 Complexes with Halogen Cyanides (X = Cl, Br, I)","Organometallics","2006","25","","128","132","10.1021/om050508g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060576","17.9869","0.0019","8.3387","0.0008","14.6221","0.0015","90","","90","","90","","2193.1","0.4","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C12 H10 As2 Br2 F12 N2 Ti -","- C12 H10 As2 Br2 F12 N2 Ti -","- C48 H40 As8 Br8 F48 N8 Ti4 -","4","0.5","","Margret-Jane Crawford; Peter Mayer; Heinrich Noeth; Max Suter","Facile Synthesis and Structural Characterization of [Cp2Ti(IV)(NCX)2][AsF6]2 Complexes with Halogen Cyanides (X = Cl, Br, I)","Organometallics","2006","","","","","10.1021/om050508g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060587","10.477","0.007","9.756","0.006","18.071","0.011","90","","90","","90","","1847","2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H15 Fe2 N O5 -","- C19 H15 Fe2 N O5 -","- C76 H60 Fe8 N4 O20 -","4","0.5","","","","Organometallics","2006","","","","","10.1021/om050684p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060656","16.6549","0.0012","9.9567","0.0007","12.4927","0.0009","90","","90","","90","","2071.6","0.3","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H4 Br2 O12 Ru4 -","- C11 H5 Br2 O12 Ru4 -","- C44 H20 Br8 O48 Ru16 -","4","0.5","","","","Organometallics","2006","","","","","10.1021/om050850t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060810","20.3262","0.0004","15.3816","0.0003","15.2066","0.0003","90","","90","","90","","4754.3","0.1","183.2","","183.2","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C53 H47 Cl2 F6 Ir N P3 -","- C45.5 H42.5 Cl F5 Ir0.5 N0.5 P2.5 -","- C182 H170 Cl4 F20 Ir2 N2 P10 -","4","0.5","","Clot, Eric; Eisenstein, Odile; Dubé, Tiffany; Faller, Jack W.; Crabtree, Robert H.","Interplay of Weak Interactions: An Iridium(III) System with an Agostic tert-Butyl but a Nonagostic Isopropyl Group","Organometallics","2002","21","3","575","580","10.1021/om010802i","","","0.7107","MoKα","","0.0608","0.0308","","0.1411","","0.0363","","","3.317","","","1.082","","","","has coordinates","134278","2020-10-21","18:00:00",""
"4061013","10.219","0.002","11.867","0.002","20.697","0.004","90","","90","","90","","2509.8","0.9","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H32 B10 Ru -","- C24 H32 B10 Ru -","- C96 H128 B40 Ru4 -","4","0.5","","Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei","Synthesis, Structural Characterization, Ligand Displacement Reaction, and Electrochemical Property of Ruthenium Complexes Incorporating Linked Cyclopentadienyl-Carboranyl Ligands","Organometallics","2004","23","24","5864","5872","10.1021/om0493816","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061099","18.865","0.003","15.809","0.001","6.101","0.0004","90","","90","","90","","1820","1","173.2","","173.2","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C19 H31 P -","- C19 H31 P -","- C76 H124 P4 -","4","0.5","","Tsang, Chi-Wing; Rohrick, Crystal A.; Saini, Tejindra S.; Patrick, Brian O.; Gates, Derek P.","Destiny of Transient Phosphenium Ions Generated from the Addition of Electrophiles to Phosphaalkenes: Intramolecular C‒H Activation, Donor‒Acceptor Formation, and Linear Oligomerization","Organometallics","2004","23","25","5913","5923","10.1021/om0495022","","","","","","","","","","","","","","","","","","","","","has coordinates","209966","2020-10-21","18:00:00",""
"4061124","16.3684","0.0002","26.5187","0.0005","9.7433","0.0002","90","","90","","90","","4229.26","0.13","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[{Zn(Me)(OBMes2)}2].toluene","","","- C45 H58 B2 O2 Zn2 -","- C42 H44 B2 O2 Zn2 -","- C168 H176 B8 O8 Zn8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049520j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061131","17.262","0.006","18.244","0.006","11.419","0.004","90","","90","","90","","3596.1","2","113.1","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C43 H39 Cl N2 Pd Zr -","- C42.6 H36 Cl1.4 N2 Pd Zr -","- C170.4 H144 Cl5.6 N8 Pd4 Zr4 -","4","0.5","","Junpei Kuwabara; Daisuke Takeuchi; Kohtaro Osakada","Preparation and Properties of Cp2Zr(μ-N=CAr2)2PdCl(Me), New Zr/Pd Heterobimetallic Complexes with Bridging Alkylideneamido Ligands","Organometallics","2004","23","","5092","","10.1021/om0495269","","","","","","","","","","","","","","","","","","","","","has coordinates","208254","2020-10-21","18:00:00",""
"4061132","18.641","0.005","18.013","0.005","11.793","0.003","90","","90","","90","","3959.6","2","113.1","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C47 H47 Cl N2 Pd Zr -","- C46.5 H44 Cl1.5 N2 Pd Zr -","- C186 H176 Cl6 N8 Pd4 Zr4 -","4","0.5","","Junpei Kuwabara; Daisuke Takeuchi; Kohtaro Osakada","Preparation and Properties of Cp2Zr(μ-N=CAr2)2PdCl(Me), New Zr/Pd Heterobimetallic Complexes with Bridging Alkylideneamido Ligands","Organometallics","2004","23","","5092","","10.1021/om0495269","","","","","","","","","","","","","","","","","","","","","has coordinates","208254","2020-10-21","18:00:00",""
"4061362","18.6064","0.0007","11.6704","0.0005","11.2726","0.0005","90","","90","","90","","2447.78","0.18","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H29 Cl3 N2 Ru2 S3 -","- C18 H29 Cl3 N2 Ru2 S3 -","- C72 H116 Cl12 N8 Ru8 S12 -","4","0.5","","Shin, Richard Y. C.; Ng, Sin Yee; Tan, Geok Kheng; Koh, Lip Lin; Khoo, Soo Beng; Goh, Lai Yoong; Webster, Richard","Syntheses and X-ray Crystal Structures of Di- and Tri-Nuclear Trithiolate/thioether Bridged Complexes of Ruthenium . Electrochemistry of Mixed Valence Triruthenium Complexes.","Organometallics","2004","23","3","547","558","10.1021/om034189+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133689","2020-10-21","18:00:00",""
"4061467","11.1033","0.0002","10.5715","0.0002","8.2212","0.0001","90","","90","","90","","964.99","0.03","133","1","133","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C12 H12 Zr -","- C12 H12 Zr -","- C48 H48 Zr4 -","4","0.5","","Tamm, M.; Kunst, A.; Bannenberg, T.; Herdtweck, E.; Schmid, R.","Cycloheptatrienyl-Cyclopentadienlyl-Zirconium Sandwich Complexes: Structure and Bonding","Organometallics","2005","24","13","3163","3171","10.1021/om050192c","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061546","14.109","0.0009","42.263","0.003","12.823","0.0009","90","","90","","90","","7646.2","0.9","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H25.5 S3 U0.75 -","- C18 H25.5 S3 U0.75 -","- C288 H408 S48 U12 -","16","2","","Roger, M.; Belkhiri, L.; Thuéry, P.; Arliguie, T.; Fourmigué, M.; Boucekkine, A.; Ephritikhine, M.","Lanthanide(III) / Actinide(III) Differentiation in Mixed Cyclopentadienyl / Dithiolene Compounds from X-Ray Diffraction and Density Functional Theory Analysis","Organometallics","2005","24","21","4940","4952","10.1021/om050329z","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061558","19.965","0.004","16.184","0.003","11.299","0.002","90","","90","","90","","3650.9","1.3","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C32 H60 Fe P6 -","- C32 H60 Fe P6 -","- C128 H240 Fe4 P24 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om0503489","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061585","22.4","0.007","15.332","0.005","6.956","0.002","90","","90","","90","","2388.9","1.4","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H31 B10 Rh Se2 -","- C15 H31 B10 Rh Se2 -","- C60 H124 B40 Rh4 Se8 -","4","0.5","","Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin","Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","17","4226","4231","10.1021/om0503949","","","","","","","","","","","","","","","","","","","","","has coordinates","209000","2020-10-21","18:00:00",""
"4061617","12.7464","0.0004","14.1803","0.0004","12.1479","0.0003","90","","90","","90","","2195.71","0.11","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H34 Al N Si3 -","- C16 H34 Al N Si3 -","- C64 H136 Al4 N4 Si12 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om050426s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061655","26.028","0.004","8.0667","0.0011","6.9001","0.001","90","","90","","90","","1448.8","0.4","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H16 Cl N O3 W -","- C12 H17 Cl N O3 W -","- C48 H68 Cl4 N4 O12 W4 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om050484d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061864","15.404","0.002","15.727","0.002","16.359","0.002","90","","90","","90","","3963.1","0.8","298.2","","298.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H3 N O12 Os4 -","- C12 H3 N O12 Os4 -","- C96 H24 N8 O96 Os32 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061867","18.249","0.004","18.634","0.004","10.63","0.002","90","","90","","90","","3614.8","1.2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C31 H45 Cl2 I2 N2 O Rh -","- C31 H45 Cl2 I2 N2 O Rh -","- C124 H180 Cl8 I8 N8 O4 Rh4 -","4","0.5","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061909","14.9919","0.0009","15.4408","0.0009","9.2238","0.0006","90","","90","","90","","2135.2","0.2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H18 Cl4 Ge N2 S -","- C18 H18 Cl4 Ge N2 S -","- C72 H72 Cl16 Ge4 N8 S4 -","4","0.5","","Saur, Isabelle; Rima, Ghassoub; Gornitzka, Heinz; Miqueu, Karinne; Barrau, Jacques","Heteronuclear Multiple Bonding between Heavier Group 14 and 16 Elements. A New Class of Germylated Compounds, the Germanethiocarbamyl and Germaneselenocarbamyl Chlorides L^2^(Cl)GeY (Y = S, Se)","Organometallics","2003","22","5","1106","1109","10.1021/om0208974","","","","","","","","","","","","","","","","","","","","","has coordinates","218195","2020-10-21","18:00:00",""
"4061910","15.1574","0.0013","15.554","0.0013","9.1975","0.0008","90","","90","","90","","2168.4","0.3","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H18 Cl4 Ge N2 Se -","- C18 H18 Cl4 Ge N2 Se -","- C72 H72 Cl16 Ge4 N8 Se4 -","4","0.5","","Saur, Isabelle; Rima, Ghassoub; Gornitzka, Heinz; Miqueu, Karinne; Barrau, Jacques","Heteronuclear Multiple Bonding between Heavier Group 14 and 16 Elements. A New Class of Germylated Compounds, the Germanethiocarbamyl and Germaneselenocarbamyl Chlorides L^2^(Cl)GeY (Y = S, Se)","Organometallics","2003","22","5","1106","1109","10.1021/om0208974","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218195","2020-10-21","18:00:00",""
"4062289","9.7121","0.0014","28.021","0.004","15.778","0.002","90","0.001","90","0.001","90","0.001","4294","1.1","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C39 H65 P2 Si3 -","- C39 H4 P1.996 Si3 -","- C156 H16 P7.984 Si12 -","4","0.5","","Ionkin, Alex S.; Marshall, William J.","Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes","Organometallics","2003","22","20","4136","4144","10.1021/om0304412","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192077","2020-10-21","18:00:00",""
"4062308","7.5913","0.0002","14.0646","0.0004","12.6816","0.0004","90","","90","","90","","1354","0.07","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","cis(CO),cis(Cl)-[Ru(Hdpa)(CO)2Cl2]","","","- C12 H9 Cl2 N3 O2 Ru -","- C12 H9 Cl2 N3 O2 Ru -","- C48 H36 Cl8 N12 O8 Ru4 -","4","0.5","","Haukka, Matti; Da Costa, Philippe; Luukkanen, Saija","Reactions of Bis(2-pyridyl)amine and Its Deprotonated Anion with Ruthenium and Osmium Carbonyl Complexes","Organometallics","2003","22","24","5137","5140","10.1021/om030488n","","","","","","","","","","","","","","","","","","","","","has coordinates","192160","2020-10-21","18:00:00",""
"4062338","17.3338","0.0002","21.1912","0.0002","9.9489","0.0001","90","","90","","90","","3654.47","0.07","143","2","143","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C40 H33 Au2 B F4 O P2 -","- C40 H33 Au2 B F4 O P2 -","- C160 H132 Au8 B4 F16 O4 P8 -","4","0.5","","Porter, Keith A.; Schier, Annette; Schmidbaur, Hubert","Auration of Thiophene and Furan: Structures of the 2-Mono- and 2,2-Diaurated Products","Organometallics","2003","22","24","4922","4927","10.1021/om030575f","","","","","","","","","","","","","","","","","","","","","has coordinates","192137","2020-10-21","18:00:00",""
"4062536","14.66","0.002","21.305","0.003","9.9584","0.0013","90","","90","","90","","3110.3","0.7","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H46 Cl Cr N2 -","- C34 H46 Cl Cr N2 -","- C136 H184 Cl4 Cr4 N8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om034065x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062545","8.2285","0.0003","20.9915","0.0009","12.7159","0.0006","90","","90","","90","","2196.4","0.16","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H24 Br2 O2 Ti -","- C22 H24 Br2 O2 Ti -","- C88 H96 Br8 O8 Ti4 -","4","0.5","","Fenwick, Andrew E.; Phomphrai, Khamphee; Thorn, Matthew G.; Vilardo, Jonathan S.; Trefun, Christine A.; Hanna, Brigitte; Fanwick, Phillip E.; Rothwell, Ian P.","Formation of Neutral and Cationic Methyl Derivatives of Titanium Containing Cyclopentadienyl and Aryloxide Ancillary Ligation","Organometallics","2004","23","9","2146","2156","10.1021/om0341404","","","","","","","","","","","","","","","","","","","","","has coordinates","277943","2022-09-17","21:34:00",""
"4062739","14.903","0.008","10.168","0.002","20.654","0.01","89","","89","","90","","3129","4","293.2","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H30 F12 Fe4 O2 P2 -","- C28 F12 Fe4 O2 P2 -","- C112 F48 Fe16 O8 P8 -","4","0.5","","Masaaki Okazaki; Takeo Ohtani; Hiroshi Ogino","Reversible Cleavage and Recombination of an Acetylenic Carbon-Carbon Bond on a Tetrairon Cluster Coupled with a Two-Electron Redox Reaction","Journal of the American Chemical Society","2004","126","","4104","4105","10.1021/ja049720m","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062743","11.262","0.001","13.876","0.001","9.054","0.001","90","","90","","90","","1414.9","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H16 Cl2 Zr -","- C14 H16 Cl2 Zr -","- C56 H64 Cl8 Zr4 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049610o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062851","12.5374","0.001","15.2365","0.0013","15.5517","0.0013","90","","90","","90","","2970.8","0.4","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H40 Cd2 Cl4 N8 O8 -","- C16 H40 Cd2 Cl4 N8 O8 -","- C64 H160 Cd8 Cl16 N32 O32 -","4","0.5","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178524","2020-10-21","18:00:00",""
"4062891","8.577","0.0007","23.306","0.001","9.904","0.0011","90","","90","","90","","1979.8","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H10 Fe O -","- C13 H10 Fe O -","- C104 H80 Fe8 O8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049739y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062988","14.7275","0.001","11.6741","0.0009","9.1015","0.0007","90","","90","","90","","1564.8","0.2","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H5 Mn Mo O5 S4 -","- C5 H2.5 Mn0.5 Mo0.5 O2.5 S2 -","- C40 H20 Mn4 Mo4 O20 S16 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049811s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063013","17.654","0.01","15.355","0.009","11.611","0.006","90","","90","","90","","3147","3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C25 H47 N P Si2 Ti -","- C25 H47 N P Si2 Ti -","- C100 H188 N4 P4 Si8 Ti4 -","4","0.5","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063044","9.8267","0.0009","16.9277","0.0015","20.2409","0.0019","90","","90","","90","","3366.9","0.5","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H38 F6 N2 O5 Pd -","- C31 H38 F6 N2 O5 Pd -","- C124 H152 F24 N8 O20 Pd4 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049843f","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063049","13.6238","0.0013","19.604","0.002","13.6755","0.0007","90","","90","","90","","3652.4","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H24 B14 Cl Nb -","- C8 H24 B14 Cl Nb -","- C64 H192 B112 Cl8 Nb8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om0498504","","","","","","","0.1056","","","0.2366","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063108","20.7367","0.0002","30.4055","0.0003","12.5622","0.0001","90","","90","","90","","7920.59","0.13","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C72 H92 Cl O6 P2 Rh -","- C72 H92 Cl O6 P2 Rh -","- C288 H368 Cl4 O24 P8 Rh4 -","4","0.5","","J. I. van der Vlugt; R. Sablong; P. C. M. M. Magusin; A. M. Mills; A. L. Spek; D. Vogt","Rhodium Complexes of Sterically Demanding Diphosphonites: Coordination Chemistry and Catalysis","Organometallics","2004","23","","3177","","10.1021/om0498899","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063131","12.9868","0.0011","14.5428","0.0011","13.5617","0.0012","90","","90","","90","","2561.3","0.4","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C25 H39 Mg N3 -","- C25 H39 Mg N3 -","- C100 H156 Mg4 N12 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049906u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063147","15.927","0.003","10.559","0.0017","7.1439","0.001","90","","90","","90","","1201.4","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 Cl2 F2 Ti -","- C12 H10 Cl2 F2 Ti -","- C48 H40 Cl8 F8 Ti4 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om0499254","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063331","7.4995","0.0006","11.8983","0.001","13.9878","0.0012","90","","90","","90","","1248.15","0.18","133","2","133","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H16 Ge Ti -","- C14 H16 Ge Ti -","- C56 H64 Ge4 Ti4 -","4","0.5","","Matthias Tamm; Andreas Kunst; Thomas Bannenberg; Sören Randoll; Peter G. Jones","Synthesis and Reactivity of Silicon- and Germanium-Bridged ansa-Cycloheptatrienyl-Cyclopentadienyl Titanium Complexes","Organometallics","2007","26","","417","424","10.1021/om060928l","","","0.71073","MoKα","","0.0287","0.0217","","","0.055","0.0588","","","","","","1.156","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063347","17.292","0.005","13.006","0.004","12.943","0.004","90","","90","","90","","2910.9","1.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H24 Cu2 F12 N8 P2 -","- C18 H24 Cu2 F12 N8 P2 -","- C72 H96 Cu8 F48 N32 P8 -","4","0.5","","Sabiah, Shahulhameed; Lee, Chen-Shiang; Hwang, Wen-Shu; Lin, Ivan J. B.","Facile C—N Bond Cleavage Promoted by Cuprous Oxide: Formation of C—C-Coupled Biimidazole from Its Methylene-Bridged Congener","Organometallics","2010","29","2","290","293","10.1021/om9010406","","","0.71073","MoKα","","0.0765","0.0676","","","0.2103","0.2261","","","","","","1.164","","","","has coordinates","218755","2020-10-21","18:00:00",""
"4063734","15.4068","0.0002","15.9388","0.0003","14.5102","0.0003","90","","90","","90","","3563.21","0.11","200","","200","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H37 B Mo N6 O2 Pb -","- C36 H37 B Mo N6 O2 Pb -","- C144 H148 B4 Mo4 N24 O8 Pb4 -","4","0.5","","Cordiner, Richard L.; Hill, Anthony F.; Shang, Rong; Willis, Anthony C.","Group 14 Substituted Carbyne Complexes—An Almost Complete Set: [Mo(\τb CAPh3)(CO)2(Tp*)] (Tp* = Hydrotris(dimethylpyrazolyl)borate; A = Si, Ge, Sn, Pb but A ≠ C)","Organometallics","2011","30","1","139","","10.1021/om100896r","","","0.71073","MoKα","","0.0437","0.0332","","0.1116","0.088","0.1116","","","","","","0.8814","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063936","12.264","0.002","18.909","0.004","13.251","0.002","90","","90","","90","","3072.9","0.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H51 N2 Sc Si4 -","- C22 N2 Sc Si4 -","- C88 N8 Sc4 Si16 -","4","0.5","","Luo, Yunjie; Feng, Xiaoying; Wang, Yibin; Fan, Shimin; Chen, Jue; Lei, Yinlin; Liang, Hongze","Half-Sandwich Scandium Bis(amide) Complexes as Efficient Catalyst Precursors for Syndiospecific Polymerization of Styrene","Organometallics","2011","30","12","3270","","10.1021/om101047h","","","0.7107","MoKα","","0.141","0.1303","","","0.3439","0.3525","","","","","","1.24","","","","has coordinates,has disorder","178534","2020-10-21","18:00:00",""
"4063968","22.352","0.005","13.807","0.004","16.094","0.006","90","","90","","90","","4967","3","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C42 H60 Co2 F6 N2 O9 S2 -","- C42 H60 Co2 F6 N2 O9 S2 -","- C168 H240 Co8 F24 N8 O36 S8 -","4","0.5","","Takemoto, Shin; Honma, Takashi; Matsuzaka, Hiroyuki","Dinuclear Cp*Co Amido and Alkoxo Complexes: Synthesis, Structures, and Reactivity","Organometallics","2011","30","5","1013","","10.1021/om101065z","","","0.71075","MoKα","","0.0976","0.071","","","0.2147","0.2377","","","","","","1.064","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4064100","18.6619","0.0007","19.2134","0.0006","10.4001","0.0003","90","","90","","90","","3729","0.2","100","2","100","0.1","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","","","- C37 H46 Cl4 Fe4 O3 P2 -","- C37 H46 Cl4 Fe4 O3 P2 -","- C148 H184 Cl16 Fe16 O12 P8 -","4","0.5","","Alvarez, M. Angeles; García, M. Esther; González, Rocío; Ramos, Alberto; Ruiz, Miguel A.","Synthesis and Decarbonylation Reactions of Diiron Cyclopentadienyl Complexes with Bent-Phosphinidene Bridges","Organometallics","2011","30","5","1102","","10.1021/om101125g","","x-ray","0.71073","MoKα","","0.0744","0.0374","","","0.0613","0.0715","","","","","","1.003","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064179","18.2082","0.0008","10.1839","0.0004","10.8874","0.0005","90","","90","","90","","2018.86","0.15","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H21 I2 N3 Pd -","- C16 H21 I2 N3 Pd -","- C64 H84 I8 N12 Pd4 -","4","0.5","","Han, Yuan; Yuan, Dan; Teng, Qiaoqiao; Huynh, Han Vinh","Reactivity Differences of Palladium(II) Dimers Bearing Heterocyclic Carbenes with Two, One, or No α-Nitrogen Atoms toward Isocyanides","Organometallics","2011","30","5","1224","","10.1021/om101169x","","","0.71073","MoKα","","0.031","0.0288","","","0.0674","0.0685","","","","","","1.153","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064301","17.632","0.002","17.754","0.001","17.587","0.002","90","","90","","90","","5505.4","0.9","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C61 H48 Cl F6 P5 Ru S2 -","- C61 H48 Cl F6 P5 Ru S2 -","- C244 H192 Cl4 F24 P20 Ru4 S8 -","4","0.5","","Koutsantonis, George A.; Schauer, Phil A.; Skelton, Brian W.","Thienyl-Substituted Allenylideneruthenium(II) Complexes: Synthesis, Spectroscopic Characterization, and Electrochemical Studies","Organometallics","2011","30","10","2680","","10.1021/om200030n","","","0.71073","MoKα","","0.0926","0.0556","","","0.1388","0.1821","","","","","","1.139","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064483","18.4803","0.0009","14.9182","0.0006","10.8453","0.0005","90","","90","","90","","2990","0.2","173.1","","173.1","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H49 N P2 Ru Zr -","- C30 H49 N P2 Ru Zr -","- C120 H196 N4 P8 Ru4 Zr4 -","4","0.5","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Group IV (Zr, Hf)−Group VIII (Fe, Ru) Heterobimetallic Complexes Bearing Metallocenyl Diphosphine Moieties and Their Application to Catalytic Dehydrogenation of Amine−Boranes","Organometallics","2011","30","8","2394","","10.1021/om200127r","","","0.71075","MoKα","","","0.0279","","","","0.0713","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064537","14.3118","0.0005","19.9092","0.0007","11.4573","0.0004","90","","90","","90","","3264.6","0.2","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Triptyphos, 1 in manuscript","","","- C44 H32 P2 -","- C44 H32 P2 -","- C176 H128 P8 -","4","0.5","","Tauchert, Michael E.; Warth, Daniel C. M.; Braun, Sebastian M.; Gruber, Irene; Ziesak, Alexandra; Rominger, Frank; Hofmann, Peter","Highly Efficient Nickel-Catalyzed 2-Methyl-3-butenenitrile Isomerization: Applications and Mechanistic Studies Employing the TTP Ligand Family","Organometallics","2011","30","10","2790","","10.1021/om200164f","","","0.71073","MoKα","","0.099","0.0448","","","0.0984","0.117","","","","","","1.013","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064581","11.5128","0.0011","11.843","0.0011","20.2121","0.0019","90","","90","","90","","2755.8","0.4","143","2","143","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C31 H39 Sc Te -","- C31 H39 Sc Te -","- C124 H156 Sc4 Te4 -","4","0.5","","Demir, Selvan; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","σ Bond Metathesis Reactivity of Allyl Scandium Metallocenes with Diphenyldichalcogenides, PhEEPh (E = S, Se, Te)","Organometallics","2011","30","11","3083","","10.1021/om2001876","","","0.71073","MoKα","","0.0449","0.0406","","","0.1308","0.134","","","","","","1.131","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064722","26.4405","0.0005","17.3997","0.0004","16.1581","0.0003","90","","90","","90","","7433.6","0.3","173.1","","173.1","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C75 H65 B Cl2 F24 P2 Ru Zr -","- C75 H65 B Cl2 F24 P2 Ru Zr -","- C300 H260 B4 Cl8 F96 P8 Ru4 Zr4 -","4","0.5","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Propargylic Substitution Reaction Catalyzed by Group IV (Ti, Zr, Hf)‒Ru Heterobimetallic Complexes","Organometallics","2011","30","11","3194","","10.1021/om200292p","","","0.71075","MoKα","","","0.0654","","","","0.1254","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064723","26.4425","0.001","17.388","0.0007","16.1407","0.0005","90","","90","","90","","7421.2","0.5","173.1","","173.1","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C75 H65 B Cl2 F24 Hf P2 Ru -","- C75 H65 B Cl2 F24 Hf P2 Ru -","- C300 H260 B4 Cl8 F96 Hf4 P8 Ru4 -","4","0.5","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Propargylic Substitution Reaction Catalyzed by Group IV (Ti, Zr, Hf)‒Ru Heterobimetallic Complexes","Organometallics","2011","30","11","3194","","10.1021/om200292p","","","0.71075","MoKα","","","0.0592","","","","0.1516","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064935","11.752","0.003","26.728","0.008","9.396","0.003","90","","90","","90","","2951.4","1.5","208","2","208","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H46 N O2 Ta -","- C30 H46 N O2 Ta -","- C120 H184 N4 O8 Ta4 -","4","0.5","","Zarkesh, Ryan A.; Heyduk, Alan F.","Reactivity of Organometallic Tantalum Complexes Containing a Bis(phenoxy)amide (ONO)3‒Ligand with Aryl Azides and 1,2-Diphenylhydrazine","Organometallics","2011","30","18","4890","","10.1021/om2004332","","","0.71073","MoKα","","0.0411","0.032","","","0.072","0.0757","","","","","","1.063","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4065214","18.3813","0.0008","13.4195","0.0006","9.2799","0.0004","90","","90","","90","","2289.05","0.17","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H40 Fe N4 -","- C20 H40 Fe N4 -","- C80 H160 Fe4 N16 -","4","0.5","","Knisley, Thomas J.; Saly, Mark J.; Heeg, Mary Jane; Roberts, John L.; Winter, Charles H.","Volatility and High Thermal Stability in Mid- to Late-First-Row Transition-Metal Diazadienyl Complexes","Organometallics","2011","30","18","5010","","10.1021/om200626w","","","0.71073","MoKα","","0.0369","0.0296","","","0.0778","0.0814","","","","","","1.055","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065215","18.2363","0.0008","13.381","0.0006","9.241","0.0004","90","","90","","90","","2254.99","0.17","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H40 Co N4 -","- C20 H40 Co N4 -","- C80 H160 Co4 N16 -","4","0.5","","Knisley, Thomas J.; Saly, Mark J.; Heeg, Mary Jane; Roberts, John L.; Winter, Charles H.","Volatility and High Thermal Stability in Mid- to Late-First-Row Transition-Metal Diazadienyl Complexes","Organometallics","2011","30","18","5010","","10.1021/om200626w","","","0.71073","MoKα","","0.0317","0.0262","","","0.0664","0.0691","","","","","","1.023","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065216","18.1617","0.0007","13.3739","0.0005","9.228","0.0004","90","","90","","90","","2241.41","0.15","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H40 N4 Ni -","- C20 H40 N4 Ni -","- C80 H160 N16 Ni4 -","4","0.5","","Knisley, Thomas J.; Saly, Mark J.; Heeg, Mary Jane; Roberts, John L.; Winter, Charles H.","Volatility and High Thermal Stability in Mid- to Late-First-Row Transition-Metal Diazadienyl Complexes","Organometallics","2011","30","18","5010","","10.1021/om200626w","","","0.71073","MoKα","","0.0409","0.0302","","","0.0772","0.0811","","","","","","1.044","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065278","11.889","0.0005","16.1841","0.0007","9.9571","0.0004","90","","90","","90","","1915.87","0.14","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H27 Fe O2 P -","- C20 H27 Fe O2 P -","- C80 H108 Fe4 O8 P4 -","4","0.5","","Ogasawara, Masamichi; Ogura, Morihiko; Sakamoto, Takeshi; Watanabe, Susumu; Arae, Sachie; Nakajima, Kiyohiko; Takahashi, Tamotsu","Homoannular Double Friedel‒Crafts Acylation of Phosphametallocenes","Organometallics","2011","30","18","5045","","10.1021/om200678q","","","0.71075","MoKα","","0.1106","0.0674","","","0.1298","0.1469","","","","","","1.095","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065291","14.7115","0.0013","12.34","0.0011","12.0643","0.001","90","","90","","90","","2190.2","0.3","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C19 H22 B Cl4 Ir N2 S2 -","- C19 H22 B Cl4 Ir N2 S2 -","- C76 H88 B4 Cl16 Ir4 N8 S8 -","4","0.5","","Dyson, Gavin; Zech, Alexander; Rawe, Benjamin W.; Haddow, Mairi F.; Hamilton, Alexander; Owen, Gareth R.","Scorpionate Ligands Based on 2-Mercaptopyridine: A Ligand with a Greater Propensity To Sting?","Organometallics","2011","30","21","5844","","10.1021/om200694r","","","0.71073","MoKα","","0.0899","0.0632","","","0.1329","0.1425","","","","","","1.085","","","","has coordinates,has disorder","178545","2020-10-21","18:00:00",""
"4065403","15.571","0.003","15.993","0.003","10.2276","0.0018","90","","90","","90","","2546.9","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H29 B10 N Zr -","- C25 H29 B10 N Zr -","- C100 H116 B40 N4 Zr4 -","4","0.5","","Ren, Shikuo; Xie, Zuowei","Reaction of a Zirconocene‒Carboryne Complex with Pyridines: Ligand C‒H Activation","Organometallics","2011","30","21","5953","","10.1021/om200772q","","","0.71073","MoKα","","0.0371","0.0308","","","0.0778","0.0851","","","","","","1.044","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065521","24.951","0.01","13.912","0.005","14.168","0.006","90","","90","","90","","4918","3","110.1","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C50 H79 N3 Si2 Zr -","- C50.22 H88 N3 Si2 Zr -","- C200.88 H352 N12 Si8 Zr4 -","4","0.5","","Tay, Boon-Ying; Wang, Cun; Chia, Sze-Chen; Stubbs, Ludger P.; Wong, Pui-Kwan; van Meurs, Martin","Synthesis of Bis(amino)pyridines by the Stepwise Alkylation of Bis(imino)pyridines: An Unexpected and Selective Alkylation of the Aminoiminopyridine by AlMe3","Organometallics","2011","30","21","6028","","10.1021/om200899f","","","0.7107","MoKα","","","0.082","","","","0.08","","","","","","3.807","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065533","14.6074","0.0013","23.995","0.002","10.8289","0.001","90","","90","","90","","3795.6","0.6","90","2","90","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C43 H54 Fe Ge O2 -","- C44 H54 Fe Ge O2 -","- C176 H216 Fe4 Ge4 O8 -","4","0.5","","Lei, Hao; Guo, Jing-Dong; Fettinger, James C.; Nagase, Shigeru; Power, Philip P.","Synthesis, Characterization, and CO Elimination of Ferrio-Substituted Two-Coordinate Germylenes and Stannylenes","Organometallics","2011","30","22","6316","","10.1021/om200912x","","","0.71073","MoKα","","0.0636","0.0454","","","0.1112","0.1182","","","","","","1.048","","","","has coordinates,has disorder","178548","2020-10-21","18:00:00",""
"4065535","14.5814","0.0013","24.083","0.002","10.9124","0.001","90","","90","","90","","3832","0.6","90","2","90","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C43 H54 Fe O2 Sn -","- C43 H54 Fe O2 Sn -","- C172 H216 Fe4 O8 Sn4 -","4","0.5","","Lei, Hao; Guo, Jing-Dong; Fettinger, James C.; Nagase, Shigeru; Power, Philip P.","Synthesis, Characterization, and CO Elimination of Ferrio-Substituted Two-Coordinate Germylenes and Stannylenes","Organometallics","2011","30","22","6316","","10.1021/om200912x","","","0.71073","MoKα","","0.0918","0.0874","","","0.1799","0.182","","","","","","1.055","","","","has coordinates,has disorder","178548","2020-10-21","18:00:00",""
"4065629","13.423","0.007","10.167","0.005","19.551","0.01","90","","90","","90","","2668","2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C17 H21 F6 N7 O6 Pd S2 -","- C17 H21 F6 N7 O6 Pd S2 -","- C68 H84 F24 N28 O24 Pd4 S8 -","4","0.5","","Xiao, Xu-Qiong; Jia, Ai-Quan; Lin, Yue-Jian; Jin, Guo-Xin","Self-Assembly of Palladium-Based Macrocycles with N-Heterocyclic Carbene as the “Corner” Ligand†","Organometallics","2010","29","21","4842","","10.1021/om100040g","","","0.71073","MoKα","","0.0934","0.0421","","","0.0819","0.0895","","","","","","0.811","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4065778","23.7835","0.0015","13.8111","0.0009","11.2713","0.0007","90","","90","","90","","3702.4","0.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C33 H42 Cl4 P3 Re -","- C33 H40 Cl4 P3 Re -","- C132 H160 Cl16 P12 Re4 -","4","0.5","","Chen, Jiangxi; He, Guomei; Sung, Herman Ho-Yung; Williams, Ian Duncan; Lin, Zhenyang; Jia, Guochen","Rhenium Carbyne and η2-Vinyl Complexes from One-Pot Reactions of ReH5(PMe2Ph)3with Terminal Alkynes","Organometallics","2010","29","12","2693","","10.1021/om100122a","","","0.71073","MoKα","","0.0591","0.0449","","","0.1103","0.1165","","","","","","1.005","","","","has coordinates,has disorder","178550","2020-10-21","18:00:00",""
"4066112","8.7266","0.0005","17.9057","0.0011","12.5696","0.0008","90","","90","","90","","1964.1","0.2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C16 H15 F6 Hg2 N2 O P -","- C16 H15 F6 Hg2 N2 O P -","- C64 H60 F24 Hg8 N8 O4 P4 -","4","0.5","","Patel, Upali; Sharma, Sagar; Singh, Harkesh B.; Dey, Sandip; Jain, Vimal K.; Wolmershäuser, Gotthelf; Butcher, Ray J.","Intermetallic Bonds in Metallophilic Mercuraazametallamacrocycles of Synthetic Design","Organometallics","2010","29","19","4265","","10.1021/om100297v","","","0.71073","MoKα","","0.0517","0.0297","","","0.0651","0.0695","","","","","","0.909","","","","has coordinates,has disorder","178553","2020-10-21","18:00:00",""
"4066126","18.6843","0.0002","26.8186","0.0003","9.11513","0.00012","90","","90","","90","","4567.47","0.09","110","","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C51 H58 Cl3 Ir N5 -","- C51 H58 Cl3 Ir N5 -","- C204 H232 Cl12 Ir4 N20 -","4","0.5","","Chianese, Anthony R.; Mo, Allen; Lampland, Nicole L.; Swartz, Raymond L.; Bremer, Paul T.","Iridium Complexes of CCC-Pincer N-Heterocyclic Carbene Ligands: Synthesis and Catalytic C−H Functionalization","Organometallics","2010","29","13","3019","","10.1021/om100302g","","x-ray","0.7107","MoKα","","0.0435","0.0328","","0.0878","0.0855","0.0878","","","","","","0.9618","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4066442","27.4381","0.0011","14.4903","0.0006","7.8339","0.0003","90","","90","","90","","3114.7","0.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H47 Cl4 N3 Ni -","- C25 H47 Cl4 N3 Ni -","- C100 H188 Cl16 N12 Ni4 -","4","0.5","","Yang, Jian; Del Rosal, Iker; Fasulo, Meg; Sangtrirutnugul, Preeyanuch; Maron, Laurent; Tilley, T. Don","Nickel Complexes with Bis(8-quinolyl)silyl Ligands. An Unusual Ni3Si2Cluster Containing Six-Coordinate Silicon†","Organometallics","2010","29","21","5544","","10.1021/om1004622","","","0.71073","MoKα","","0.0483","0.0342","","","0.0904","0.0975","","","","","","1.298","","","","has coordinates","178556","2020-10-21","18:00:00",""
"4066498","13.9036","0.0006","7.0905","0.0002","21.1015","0.0009","90","","90","","90","","2080.26","0.14","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H14 N2 S Si -","- C7 H14 N2 S Si -","- C56 H112 N16 S8 Si8 -","8","1","","Wagler, Jörg; Heine, Thomas; Hill, Anthony F.","Poly(methimazolyl)silanes: Syntheses and Molecular Structures†","Organometallics","2010","29","21","5607","","10.1021/om1004989","","","0.71073","MoKα","","0.0577","0.0354","","","0.0793","0.0857","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4066645","10.0015","0.0002","24.0151","0.0005","15.642","0.0003","90","","90","","90","","3757.01","0.13","200","","200","","","","","","","","local","6","P n m a","-P 2ac 2n","62","","","","- C43 H43 B3 O P2 Ru -","- C43 H43 B3 O P2 Ru -","- C172 H172 B12 O4 P8 Ru4 -","4","0.5","","Hill, Anthony F.; Lee, Stephen B.; Park, James; Shang, Rong; Willis, Anthony C.","Analogies between Metallaboratranes, Triboronates, and Boron Pincer Ligand Complexes†","Organometallics","2010","29","21","5661","","10.1021/om100557q","","","0.71073","MoKα","","0.0694","0.0291","","0.0357","0.0294","0.0294","","","","","","1.0974","","","","has coordinates","178558","2020-10-21","18:00:00",""
"4066829","11.3056","0.0017","15.471","0.002","11.2525","0.0018","90","","90","","90","","1968.2","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H28 B10 Ni P2 -","- C8 H28 B10 Ni P2 -","- C32 H112 B40 Ni4 P8 -","4","0.5","","Qiu, Zaozao; Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of Group 10 Metal−Carboryne Complexes","Organometallics","2010","29","20","4541","","10.1021/om100669x","","","0.71073","MoKα","","0.0948","0.0428","","","0.0978","0.1317","","","","","","1.038","","","","has coordinates","178560","2020-10-21","18:00:00",""
"4066915","28.177","0.01","18.222","0.006","9.131","0.004","90","","90","","90","","4688","3","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C36 H60 Br5 Cl2 Ga O P2 Ru -","- C36 H60 Br5 Cl2 Ga O P2 Ru -","- C144 H240 Br20 Cl8 Ga4 O4 P8 Ru4 -","4","0.5","","Boone, Michael P.; Brown, Christopher C.; Ancelet, Travis A.; Stephan, Douglas W.","Interconversion of Ruthenium-O(CH2CH2PCy2)2Alkylidene and Alkylidyne Hydride Complexes","Organometallics","2010","29","19","4369","","10.1021/om100707a","","","0.71073","MoKα","","0.1057","0.0627","","","0.16","0.1855","","","","","","1.003","","","","has coordinates","178561","2020-10-21","18:00:00",""
"4067003","9.1242","0.0006","14.8492","0.0009","20.9679","0.0013","90","","90","","90","","2840.9","0.3","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","7-KetoMes-carbene","","","- C33 H32 N2 O2 -","- C33 H32 N2 O2 -","- C132 H128 N8 O8 -","4","0.5","","Hudnall, Todd W.; Tennyson, Andrew G.; Bielawski, Christopher W.","A Seven-MemberedN,N′-Diamidocarbene","Organometallics","2010","29","20","4569","","10.1021/om1007665","","","0.71075","MoKα","","0.0604","0.0476","","","0.127","0.1369","","","","","","1.008","","","","has coordinates,has disorder","178505","2020-10-21","18:00:00",""
"4067010","18.429","0.002","21.069","0.003","8.9515","0.0009","90","","90","","90","","3475.7","0.7","113","2","113","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C38 H28 O8 Ru3 -","- C38 H28 O8 Ru3 -","- C152 H112 O32 Ru12 -","4","0.5","","Li, Minxiong; Song, Haibin; Xu, Shansheng; Wang, Baiquan","Alkyne-Functionalized Zirconocene Complexes: Synthesis, Structures, and Reactivities","Organometallics","2010","29","22","6092","","10.1021/om1007677","","","0.71075","MoKα","","0.0342","0.0321","","","0.0773","0.0783","","","","","","1.19","","","","has coordinates","178505","2020-10-21","18:00:00",""
"4067511","19.0833","0.0015","16.023","0.0012","8.2882","0.0006","90","","90","","90","","2534.3","0.3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C33 H26 Si -","- C33 H26 Si -","- C132 H104 Si4 -","4","0.5","","Oulié, Pascal; Altes, Lena; Milosevic, Sandra; Bouteille, Romain; Müller-Bunz, Helge; McGlinchey, Michael J.","Different Reactivity Patterns of Trimethylsilyl- and Phenyl-Substituted Propargylallenes: Fe2(CO)9- and [Ag]±Promoted Cyclizations","Organometallics","2010","29","3","676","","10.1021/om9009872","","","0.71073","MoKα","","0.0496","0.0427","","","0.114","0.1194","","","","","","1.027","","","","has coordinates","178566","2020-10-21","18:00:00",""
"4067525","16.2998","0.0008","14.5464","0.0008","16.3612","0.0009","90","","90","","90","","3879.3","0.4","296","2","296","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C32 H52 Cl3 K Li N2 O6 Th -","- C32 H53 Cl3 K Li N2 O6 Th -","- C128 H212 Cl12 K4 Li4 N8 O24 Th4 -","4","0.5","","Korobkov, Ilia; Vidjayacoumar, Balamurugan; Gorelsky, Serge I.; Billone, Paul; Gambarotta, Sandro","Attempting to Reduce the Irreducible: Preparation of a Rare Paramagnetic Thorium Species","Organometallics","2010","29","3","692","","10.1021/om900996n","","","0.71073","MoKα","","0.0801","0.0505","","","0.1098","0.1255","","","","","","1.033","","","","has coordinates,has disorder","178566","2020-10-21","18:00:00",""
"4067615","16.896","0.0009","20.2468","0.001","9.5609","0.0004","90","","90","","90","","3270.7","0.3","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C35 H53 N4 Si -","- C35 H53 N4 Si -","- C140 H212 N16 Si4 -","4","0.5","","Xiong, Yun; Yao, Shenglai; Driess, Matthias","Unusual [3+1] Cycloaddition of a Stable Silylene with a 2,3-Diazabuta-1,3-diene versus [4+1] Cycloaddition toward a Buta-1,3-diene","Organometallics","2010","29","4","987","","10.1021/om901034w","","","0.71073","MoKα","","0.1594","0.0769","","","0.1367","0.1654","","","","","","1.059","","","","has coordinates,has disorder","178567","2020-10-21","18:00:00",""
"4067950","17.6074","0.0007","15.0201","0.0006","9.1566","0.0004","90","","90","","90","","2421.6","0.17","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ta-complex","","- C22 H41 N3 Ta -","- C22 H41 N3 Ta -","- C88 H164 N12 Ta4 -","4","0.5","","Yonke, Brendan L.; Keane, Andrew J.; Zavalij, Peter Y.; Sita, Lawrence R.","Mononuclear Tantalum(IV, d1) Imido Complexes Supported by the Monocyclopentadienyl, Amidinate and Guanidinate Ligand Sets As Models to Explore Dinitrogen Fixation by “End-On-Bridged” Dinuclear {[Ta(IV, d1)]}2(μ-η1:η1-N2) Complexes","Organometallics","2012","31","1","345","","10.1021/om200961r","","","0.71073","MoKα","","0.0249","0.0231","","","0.0486","0.0495","","","","","","1","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4068227","17.23","0.002","18.2","0.002","9.9966","0.0013","90","","90","","90","","3134.8","0.6","295","2","295","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C28 H37 B Cl F3 N2 O3 S -","- C28 H36 B Cl F3 N2 O3 S -","- C112 H144 B4 Cl4 F12 N8 O12 S4 -","4","0.5","","Solovyev, Andrey; Geib, Steven J.; Lacôte, Emmanuel; Curran, Dennis P.","Reactions of Boron-Substituted N-Heterocyclic Carbene Boranes with Triflic Acid. Isolation of a New Dihydroxyborenium Cation","Organometallics","2012","31","1","54","","10.1021/om201260b","","","0.71073","MoKα","","0.1219","0.0901","","","0.2474","0.26","","","","","","1.962","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068412","9.6581","0.0007","13.5905","0.001","18.7569","0.0014","90","","90","","90","","2462","0.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H42 Fe N P3 -","- C20 H40 Fe N P3 -","- C80 H160 Fe4 N4 P12 -","4","0.5","","Camadanli, Sebnem; Beck, Robert; Flörke, Ulrich; Klein, Hans-Friedrich","C−H Activation of Imines by Trimethylphosphine-Supported Iron Complexes and Their Reactivities","Organometallics","2009","28","7","2300","","10.1021/om800828j","","","0.71073","MoKα","","0.0483","0.0378","","","0.101","0.1098","","","","","","0.997","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068481","12.9609","0.0009","9.5739","0.0016","18.1197","0.0013","90","","90","","90","","2248.4","0.4","103","2","173","2","","","","","","","","8","P n m a","-P 2ac 2n","62","C6Me6Ru(Me)PTN.BF4","","","- C19 H34 B Cl F4 N3 P Ru -","- C19 H34 B Cl F4 N3 P Ru -","- C76 H136 B4 Cl4 F16 N12 P4 Ru4 -","4","0.5","","Renfrew, Anna K.; Phillips, Andrew D.; Egger, Alexander E.; Hartinger, Christian G.; Bosquain, Sylvain S.; Nazarov, Alexey A.; Keppler, Bernhard K.; Gonsalvi, Luca; Peruzzini, Maurizio; Dyson, Paul J.","Influence of Structural Variation on the Anticancer Activity of RAPTA-Type Complexes: ptn versus pta","Organometallics","2009","28","4","1165","","10.1021/om800899e","","","0.71073","MoKα","","0.0497","0.0366","","","0.0673","0.0729","","","","","","1.14","","","","has coordinates,has disorder","178574","2020-10-21","18:00:00",""
"4068525","22.9738","0.0004","12.2449","0.0002","8.1159","0.0001","90","","90","","90","","2283.1","0.06","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H33 Al N2 -","- C24 H33 Al N2 -","- C96 H132 Al4 N8 -","4","0.5","","Shih, Wei-Chih; Wang, Chun-Han; Chang, Yang-Ting; Yap, Glenn P. A.; Ong, Tiow-Gan","Synthesis and Structure of an Amino-Linked N-Heterocyclic Carbene and the Reactivity of its Aluminum Adduct","Organometallics","2009","28","4","1060","","10.1021/om800917j","","","0.71073","MoKα","","0.045","0.0365","","","0.1056","0.1127","","","","","","1.042","","","","has coordinates,has disorder","178575","2020-10-21","18:00:00",""
"4068802","15.965","0.0005","13.204","0.0003","17.0513","0.0004","90","","90","","90","","3594.45","0.16","173.1","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C33 H42 Br2 Cl2 Ru2 S2 -","- C33 H42 Br2 Cl2 Ru2 S2 -","- C132 H168 Br8 Cl8 Ru8 S8 -","4","0.5","","Tanabe, Yoshiaki; Kanao, Keiichiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Remarkable Effect of Halogens on Catalytic Activities of Thiolato-Bridged Diruthenium Complexes in Propargylic Substitution Reactions","Organometallics","2009","28","4","1138","","10.1021/om8011079","","","0.71069","MoKα","","","0.0523","","","","0.1433","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068803","16.5732","0.0004","14.4347","0.0005","14.0403","0.0003","90","","90","","90","","3358.85","0.16","173.1","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H40 I2 Ru2 S2 -","- C32 H40 I2 Ru2 S2 -","- C128 H160 I8 Ru8 S8 -","4","0.5","","Tanabe, Yoshiaki; Kanao, Keiichiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Remarkable Effect of Halogens on Catalytic Activities of Thiolato-Bridged Diruthenium Complexes in Propargylic Substitution Reactions","Organometallics","2009","28","4","1138","","10.1021/om8011079","","","0.71069","MoKα","","","0.0287","","","","0.0543","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068938","12.277","0.003","22.523","0.005","17.092","0.003","90","","90","","90","","4726.2","1.8","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C27 H54 K2 N6 O22 Sn4 -","- C27 H38 K2 N6 O22 Sn4 -","- C108 H152 K8 N24 O88 Sn16 -","4","0.5","","Chandrasekhar, Vadapalli; Thirumoorthi, Ramalingam","Reactions of 3,5-Pyrazoledicarboxylic Acid with Organotin Chlorides and Oxides. Coordination Polymers Containing Organotin Macrocycles","Organometallics","2009","28","7","2096","","10.1021/om8011739","","","0.71073","MoKα","","0.0503","0.041","","","0.0947","0.0993","","","","","","1.052","","","","has coordinates","178579","2020-10-21","18:00:00",""
"4068993","20.892","0.005","21.27","0.005","8.648","0.002","90","","90","","90","","3842.9","1.6","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C32 H62 Cl2 Ir N O P2 -","- C32 H52 Cl2 Ir N O P2 -","- C128 H208 Cl8 Ir4 N4 O4 P8 -","4","0.5","","Esteruelas, Miguel A.; Fernández-Alvarez, Francisco J.; Oliván, Montserrat; Oñate, Enrique","NH-Tautomerization of Quinolines and 2-Methylpyridine Promoted by a Hydride-Iridium(III) Complex: Importance of the Hydride Ligand","Organometallics","2009","28","7","2276","","10.1021/om8011954","","","0.71073","MoKα","","0.0403","0.0346","","","0.0865","0.0892","","","","","","1.076","","","","has coordinates,has disorder","178579","2020-10-21","18:00:00",""
"4068996","23.365","0.009","12.868","0.005","10.606","0.004","90","","90","","90","","3189","2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C25 H52 Cl4 Ir N P2 -","- C25 H52 Cl4 Ir N P2 -","- C100 H208 Cl16 Ir4 N4 P8 -","4","0.5","","Esteruelas, Miguel A.; Fernández-Alvarez, Francisco J.; Oliván, Montserrat; Oñate, Enrique","NH-Tautomerization of Quinolines and 2-Methylpyridine Promoted by a Hydride-Iridium(III) Complex: Importance of the Hydride Ligand","Organometallics","2009","28","7","2276","","10.1021/om8011954","","","0.71073","MoKα","","0.0652","0.0523","","","0.0999","0.106","","","","","","1.149","","","","has coordinates","178579","2020-10-21","18:00:00",""
"4069070","7.9195","0.0003","25.573","0.0011","16.1398","0.0007","90","","90","","90","","3268.7","0.2","90","2","90","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C36 H50 Cd -","- C36 H50 Cd -","- C144 H200 Cd4 -","4","0.5","","Zhu, Zhongliang; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Steric Enhancement of Group 12 Metal Hydride Stability and the Reaction of an Arylzinc Hydride with Tetramethylpiperidinyl Oxide (TEMPO)","Organometallics","2009","28","7","2091","","10.1021/om900005t","","","0.71073","MoKα","","0.0348","0.0289","","","0.0688","0.071","","","","","","1.084","","","","has coordinates","178507","2020-10-21","18:00:00",""
"4069112","17.167","0.002","13.8897","0.0016","9.6302","0.001","90","","90","","90","","2296.3","0.4","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H35 B2 Co Ru -","- C23 H35 B2 Co Ru -","- C92 H140 B8 Co4 Ru4 -","4","0.5","","Siebert, Walter; Kudinov, Alexander R.; Zanello, Piero; Antipin, Mikhail Yu.; Scherban, Vyacheslav V.; Romanov, Alexander S.; Muratov, Dmitry V.; Starikova, Zoya A.; Corsini, Maddalena","Synthesis of μ-Diborolyl Triple-Decker Complexes by Electrophilic Stacking. Similar Bonding Properties of Anions [CpCo(1,3-C3B2H5)]−and Cp−toward Transition Metals†","Organometallics","2009","28","9","2707","","10.1021/om900032z","","","0.71073","MoKα","","0.0811","0.0534","","","0.1197","0.1278","","","","","","1.091","","","","has coordinates","178580","2020-10-21","18:00:00",""
"4069340","14.4427","0.0005","21.3898","0.0005","10.4885","0.0004","90","","90","","90","","3240.18","0.18","220","2","220","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C33 H51 Li N2 O2 -","- C34 H51 Li N2 O2 -","- C136 H204 Li4 N8 O8 -","4","0.5","","Jutzi, Peter; Leszczyńska, Kinga; Mix, Andreas; Neumann, Beate; Schoeller, Wolfgang W.; Stammler, Hans-Georg","Reaction of the (Pentamethylcyclopentadienyl)silicon(II) Cation with a Sterically Encumbered β-Diketiminato Anion: Unexpected Formation of a Tricyclic Silicon(IV) Compound","Organometallics","2009","28","7","1985","","10.1021/om9001457","","","0.71073","MoKα","","0.0801","0.0521","","","0.1289","0.1488","","","","","","1.028","","","","has coordinates,has disorder","178582","2020-10-21","18:00:00",""
"4069343","16.597","0.003","20.695","0.004","9.2831","0.0019","90","","90","","90","","3188.5","1.1","133","2","133","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C35 H46 Ge N2 O -","- C35 H46 Ge N2 O -","- C140 H184 Ge4 N8 O4 -","4","0.5","","Jana, Anukul; Nekoueishahraki, Bijan; Roesky, Herbert W.; Schulzke, Carola","Stable Compounds of Composition LGe(II)R (R = OH, PhO, C6F5O, PhCO2) Prepared by Nucleophilic Addition Reactions","Organometallics","2009","28","13","3763","","10.1021/om900149k","","","0.71073","MoKα","","0.1107","0.0747","","","0.1429","0.1557","","","","","","1.062","","","","has coordinates","178582","2020-10-21","18:00:00",""
"4069558","19.307","0.005","6.9388","0.0017","10.358","0.002","90","","90","","90","","1387.6","0.6","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","9c","Chlorodimethyl[N-(benzylideneimino)acetamidomethyl]silane","","- C12 H15 Cl N2 O Si -","- C12 H15 Cl N2 O Si -","- C48 H60 Cl4 N8 O4 Si4 -","4","0.5","","Yakubovich, Shiri; Gostevskii, Boris; Kalikhman, Inna; Kost, Daniel","Regioselective Intramolecular Chloride Displacement Leading to Five- or Six-Membered Chelate-Ring Closure and Pentacoordinate Silicon Complexes: A Facile Wawzonek Rearrangement†","Organometallics","2009","28","14","4126","","10.1021/om9002818","","","0.71073","MoKα","","0.0448","0.037","","","0.0851","0.0896","","","","","","0.961","","","","has coordinates","178584","2020-10-21","18:00:00",""
"4069678","15.3601","0.0014","13.4016","0.0011","19.6671","0.0012","90","","90","","90","","4048.5","0.6","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C45.61 H37.14 F3 N3 O3 P Rh S -","- C45.608 H37.144 F3 N3 O3 P Rh S -","- C182.432 H148.576 F12 N12 O12 P4 Rh4 S4 -","4","0.5","","Yadav, Mahendra; Singh, Ashish Kumar; Pandey, Daya Shankar","First Examples of Heteroleptic Dipyrrin/η5-Pentamethylcyclopentadienyl Rhodium/Iridium(III) Complexes and Their Catalytic Activity","Organometallics","2009","28","16","4713","","10.1021/om900349v","","","0.71073","MoKα","","0.0734","0.0634","","","0.1391","0.1421","","","","","","1.235","","","","has coordinates,has disorder","178585","2020-10-21","18:00:00",""
"4069908","24.14","0.0008","14.8754","0.0005","7.8561","0.0003","90","","90","","90","","2821.06","0.17","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H24 B N6 Rh -","- C28 H24 B N6 Rh -","- C112 H96 B4 N24 Rh4 -","4","0.5","","Tsoureas, Nikolaos; Bevis, Thomas; Butts, Craig P.; Hamilton, Alex; Owen, Gareth R.","Further Exploring the “Sting of the Scorpion”: Hydride Migration and Subsequent Rearrangement of Norbornadiene to Nortricyclyl on Rhodium(I)","Organometallics","2009","28","17","5222","","10.1021/om900499v","","","0.71073","MoKα","","0.069","0.0428","","","0.0895","0.0957","","","","","","1.011","","","","has coordinates","178588","2020-10-21","18:00:00",""
"4070123","18.6588","0.0018","14.663","0.0014","9.254","0.0009","90","","90","","90","","2531.8","0.4","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C25 H42 Si2 U -","- C25 H42 Si2 U -","- C100 H168 Si8 U4 -","4","0.5","","Evans, William J.; Takase, Michael K.; Ziller, Joseph W.; Rheingold, Arnold L.","Synthesis and Insertion Chemistry of Monoalkyl and Monoaryl Uranium(IV) Heteroleptic Metallocene Complexes","Organometallics","2009","28","19","5802","","10.1021/om900620m","","","0.71073","MoKα","","0.0175","0.0143","","","0.0338","0.0352","","","","","","1.095","","","","has coordinates","178590","2020-10-21","18:00:00",""
"4070233","15.253","0.004","21.137","0.005","9.577","0.002","90","","90","","90","","3087.7","1.3","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H40 Cl3 N3 O Ru -","- C28 H40 Cl3 N3 O Ru -","- C112 H160 Cl12 N12 O4 Ru4 -","4","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","","0.0531","0.0415","","","0.0952","0.0986","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070234","12.741","0.002","21.559","0.004","10.4634","0.0018","90","","90","","90","","2874.1","0.9","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H36 Cl3 N3 O Ru -","- C26 H36 Cl3 N3 O Ru -","- C104 H144 Cl12 N12 O4 Ru4 -","4","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","","0.0642","0.0505","","","0.1114","0.116","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070286","19.692","0.0001","20.2716","0.0003","9.4088","0.0004","90","","90","","90","","3755.88","0.17","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","2a","","","- C37 H36 Cl7 Fe2 Ir N2 -","- C37 H36 Cl7 Fe2 Ir N2 -","- C148 H144 Cl28 Fe8 Ir4 N8 -","4","0.5","","Rosen, Evelyn L.; Varnado, C. Daniel; Tennyson, Andrew G.; Khramov, Dimitri M.; Kamplain, Justin W.; Sung, Daphne H.; Cresswell, Philip T.; Lynch, Vincent M.; Bielawski, Christopher W.","Redox-Active N-Heterocyclic Carbenes: Design, Synthesis, and Evaluation of Their Electronic Properties","Organometallics","2009","28","23","6695","","10.1021/om900698x","","","0.7107","MoKα","","0.0551","0.0322","","","0.0612","0.0682","","","","","","1.036","","","","has coordinates","178591","2020-10-21","18:00:00",""
"4070295","17.385","0.0003","23.2658","0.0004","9.7425","0.0002","90","","90","","90","","3940.61","0.13","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","6a","","","- C45 H54 Cl Ir N2 O4 -","- C37 H38 Cl Ir N2 O2 -","- C148 H152 Cl4 Ir4 N8 O8 -","4","0.5","","Rosen, Evelyn L.; Varnado, C. Daniel; Tennyson, Andrew G.; Khramov, Dimitri M.; Kamplain, Justin W.; Sung, Daphne H.; Cresswell, Philip T.; Lynch, Vincent M.; Bielawski, Christopher W.","Redox-Active N-Heterocyclic Carbenes: Design, Synthesis, and Evaluation of Their Electronic Properties","Organometallics","2009","28","23","6695","","10.1021/om900698x","","","0.71073","MoKα","","0.0459","0.0357","","","0.0759","0.0789","","","","","","1.092","","","","has coordinates","178591","2020-10-21","18:00:00",""
"4070326","19.2541","0.0018","15.9466","0.0015","11.294","0.001","90","","90","","90","","3467.7","0.6","173","1","173","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C34 H41 Cl4 Ir O P2 -","- C34 H41 Cl4 Ir O P2 -","- C136 H164 Cl16 Ir4 O4 P8 -","4","0.5","","Azerraf, Clarite; Gelman, Dmitri","New Shapes of PC(sp3)P Pincer Complexes","Organometallics","2009","28","22","6578","","10.1021/om900723s","","","0.71073","MoKα","","0.0199","0.0192","","","0.0519","0.0522","","","","","","1.126","","","","has coordinates","178592","2020-10-21","18:00:00",""
"4070335","20.309","0.007","24.889","0.007","6.0164","0.0015","90","","90","","90","","3041.1","1.6","98","2","98","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C26 H42 As2 O8 -","- C26 H42 As2 O8 -","- C104 H168 As8 O32 -","4","0.5","","Arita, Manabu; Naka, Kensuke; Morisaki, Yasuhiro; Nakahashi, Akiko; Chujo, Yoshiki","Synthesis and Characterization of Stereoisomers of 1,4-Dihydro-1,4-diarsinines","Organometallics","2009","28","20","6109","","10.1021/om900727c","","","0.71075","MoKα","","0.0708","0.0374","","","0.0618","0.0664","","","","","","0.947","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070366","13.4256","0.001","10.7623","0.0008","13.0013","0.0009","90","","90","","90","","1878.6","0.2","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H26 Co F6 P -","- C17 H26 Co F6 P -","- C68 H104 Co4 F24 P4 -","4","0.5","","Ylijoki, Kai E. O.; Witherell, Ross D.; Kirk, Andrew D.; Böcklein, Sebastian; Lofstrand, Verner A.; McDonald, Robert; Ferguson, Michael J.; Stryker, Jeffrey M.","Synthesis, Structure, and Reactivity of Alkyl-Substituted Half-Sandwich η5-Pentadienyl Complexes of Cobalt","Organometallics","2009","28","23","6807","","10.1021/om900754h","","","0.71073","MoKα","","0.0536","0.0514","","","0.1467","0.149","","","","","","1.064","","","","has coordinates","178592","2020-10-21","18:00:00",""
"4070382","16.012","0.0016","14.9509","0.0015","17.2127","0.0017","90","","90","","90","","4120.6","0.7","99","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C41 H52 Br4 N2 Si -","- C41 H52 Br4 N2 Si -","- C164 H208 Br16 N8 Si4 -","4","0.5","","Ghadwal, Rajendra S.; Sen, Sakya S.; Roesky, Herbert W.; Tavcar, Gasper; Merkel, Sebastian; Stalke, Dietmar","Neutral Penta- and Hexacoordinate N-Heterocyclic Carbene Complexes Derived from SiX4(X = F, Br)","Organometallics","2009","28","21","6374","","10.1021/om9007696","","","0.71073","MoKα","","0.0292","0.0232","","","0.0587","0.0617","","","","","","1.07","","","","has coordinates","178592","2020-10-21","18:00:00",""
"4070403","14.758","0.001","21.794","0.002","7.9989","0.0007","90","","90","","90","","2572.7","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H34 Cr I N2 -","- C28 H34 Cr I N2 -","- C112 H136 Cr4 I4 N8 -","4","0.5","","MacLeod, K. Cory; Conway, Julia L.; Tang, Liming; Smith, Joshua J.; Corcoran, Liam D.; Ballem, Katherine H. D.; Patrick, Brian O.; Smith, Kevin M.","Reactivity Consequences of Steric Reduction in Cyclopentadienyl Chromium β-Diketiminate Complexes","Organometallics","2009","28","23","6798","","10.1021/om900788c","","","0.71073","MoKα","","0.0275","0.0226","","","0.0572","0.0586","","","","","","1.055","","","","has coordinates","178593","2020-10-21","18:00:00",""
"4070465","18.0766","0.0006","16.7735","0.0006","9.8459","0.0004","90","","90","","90","","2985.35","0.19","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C26 H46 B Lu N6 -","- C26 H46 B Lu N6 -","- C104 H184 B4 Lu4 N24 -","4","0.5","","Zimmermann, Melanie; Litlabø, Rannveig; Törnroos, Karl W.; Anwander, Reiner","“Metastable” Lu(GaMe4)3Reacts Like Masked [LuMe3]: Synthesis of an Unsolvated Lanthanide Dimethyl Complex","Organometallics","2009","28","23","6646","","10.1021/om900838h","","","0.71073","MoKα","","0.021","0.0175","","","0.0433","0.0461","","","","","","1.111","","","","has coordinates","178593","2020-10-21","18:00:00",""
"4070503","11.6161","0.0008","17.703","0.0012","9.5129","0.0006","90","","90","","90","","1956.2","0.2","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H30 B8 N2 Pt -","- C11 H30 B8 N2 Pt -","- C44 H120 B32 N8 Pt4 -","4","0.5","","Carr, Michael J.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10-Vertexarachno-Platinacarboranes","Organometallics","2008","27","9","2099","","10.1021/om7012056","","","0.71073","MoKα","","0.0222","0.0204","","","0.0489","0.0498","","","","","","1.039","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070766","19.8057","0.0002","18.9645","0.0007","5.3313","0.0004","90","","90","","90","","2002.46","0.17","150","1","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C27 H22 N2 Pt -","- C27 H22 N2 Pt -","- C108 H88 N8 Pt4 -","4","0.5","","De Crisci, Antonio G.; Lough, Alan J.; Multani, Kanwarpal; Fekl, Ulrich","9,10-Dihydroplatinaanthracenes with Aromatic Diimine Ligands: Syntheses and Spectroscopic and Computational Studies of New Luminescent Materials","Organometallics","2008","27","8","1765","","10.1021/om700997v","","","0.71073","MoKα","","0.0594","0.0357","","","0.0759","0.0855","","","","","","1.073","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070996","22.3683","0.0007","14.0012","0.0003","9.5533","0.0002","90","","90","","90","","2991.93","0.13","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","complex 2","","","- C28 H36 N4 O2 Ru Si2 -","- C28 H36 N4 O2 Ru Si2 -","- C112 H144 N16 O8 Ru4 Si8 -","4","0.5","","Okazaki, Masaaki; Yamahira, Nobukazu; Minglana, Jim Josephus Gabrillo; Komuro, Takashi; Ogino, Hiroshi; Tobita, Hiromi","[Ru(xantsil)(CO)(η6-toluene)]: Synthon for a Highly Unsaturated Ruthenium(II) Complex through Facile Dissociation of the Toluene Ligand [xantsil = (9,9-dimethylxanthene-4,5-diyl)bis(dimethylsilyl)]","Organometallics","2008","27","5","918","","10.1021/om701194e","","x-ray","0.71069","MoKα","","0.0287","0.0273","","","0.0653","0.066","","","","","","1.195","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4071391","14.245","0.003","22.068","0.004","10.071","0.002","90","","90","","90","","3165.9","1.1","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C32 H50 N2 Ti -","- C32 H50 N2 Ti -","- C128 H200 N8 Ti4 -","4","0.5","","Nikiforov, Grigory B.; Roesky, Herbert W.; Heisen, Burkhard C.; Oswald, Rainer B.","Formation of a Titanium Complex with a TiCHAl2Structural Unit from LTiMe3and Trimethylaluminum§","Organometallics","2008","27","11","2544","","10.1021/om800144v","","","1.54184","CuKα","","0.0602","0.0448","","","0.1001","0.1078","","","","","","1.059","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071470","9.87","0.002","22.911","0.005","8.2427","0.0016","90","","90","","90","","1863.9","0.7","150","2","150","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C22 H28 N2 -","- C22 H28 N2 -","- C88 H112 N8 -","4","0.5","","Iglesias, Manuel; Beetstra, Dirk J.; Knight, James C.; Ooi, Li-Ling; Stasch, Andreas; Coles, Simon; Male, Louise; Hursthouse, Michael B.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A.","Novel Expanded Ring N-Heterocyclic Carbenes: Free Carbenes, Silver Complexes, And Structures","Organometallics","2008","27","13","3279","","10.1021/om800179t","","","0.71073","MoKα","","0.0521","0.041","","","0.1046","0.1115","","","","","","1.032","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071554","22.928","0.0005","22.602","0.0017","12.236","0.0008","90","0.005","90","0.003","90","0.004","6340.9","0.6","150","1","150","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C60 H88 N8 Sb4 -","- C48 H76 N8 Sb4 -","- C192 H304 N32 Sb16 -","4","0.5","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Holeček, Jaroslav","Syntheses and Structures of Ar3Sb5and Ar4Sb4Compounds (Ar = C6H3-2,6-(CH2NMe2)2)","Organometallics","2008","27","10","2169","","10.1021/om800227m","","","0.71073","MoKα","","0.0584","0.0434","","","0.1037","0.1097","","","","","","1.114","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4072143","17.707","0.002","13.5049","0.0019","11.8162","0.0012","90","","90","","90","","2825.6","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H34 P2 Pt S2 Si -","- C24 H34 P2 Pt S2 Si -","- C96 H136 P8 Pt4 S8 Si4 -","4","0.5","","Lee, Kyung-Eun; Chang, Xiaohong; Kim, Yong-Joo; Huh, Hyun Sue; Lee, Soon W.","Reactivity of Bis(silyl)platinum(II) Complexes toward Organic Isothiocyanates: Preparation and Structures of (Dithiocarbonimidato)- and (Diphenylsilanedithiolato)platinum(II) Complexes,cis-[Pt(S2CNPh)L2] andcis-[Pt(S2SiPh2)L2] (L = PMe2Ph, PEt3; L-L = dppp)","Organometallics","2008","27","21","5566","","10.1021/om8006079","","","0.71073","MoKα","","0.0325","0.0292","","","0.074","0.0762","","","","","","1.066","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072165","20.7453","0.0009","16.8043","0.0007","9.9841","0.0004","90","","90","","90","","3480.6","0.3","223","2","223","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","Tetrakis-μ-(caprolactamate)-bis(acetonitrile)dirhodium(II,III) tetrafluoroborate","","- C28 H46 B F4 N6 O4 Rh2 -","- C28 H46 B F4 N6 O4 Rh2 -","- C112 H184 B4 F16 N24 O16 Rh8 -","4","0.5","","Wolf, Joffrey; Poli, Rinaldo; Xie, Jian-Hua; Nichols, Jason; Xi, Bin; Zavalij, Peter; Doyle, Michael P.","Removal of Metal−Metal Bonding in a Dimetallic Paddlewheel Complex: Molecular and Electronic Structure of Bis(phenyl) Dirhodium(III) Carboxamidate Compounds","Organometallics","2008","27","22","5836","","10.1021/om800631b","","","0.71073","MoKα","","0.0613","0.0331","","","0.064","0.0693","","","","","","1","","","","has coordinates,has disorder","178610","2020-10-21","18:00:00",""
"4072637","16.485","0.003","18.169","0.004","7.172","0.0014","90","","90","","90","","2148.1","0.7","105","","105","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H22 Cl4 N2 Pt -","- C19 H22 Cl4 N2 Pt -","- C76 H88 Cl16 N8 Pt4 -","4","0.5","","Lersch, Martin; Krivokapic, Alexander; Tilset, Mats","Synthesis and Structural Characterization of a Fluorinated α-Diimine Platinum(II) Complex","Organometallics","2007","26","7","1581","","10.1021/om060897u","","","0.71073","MoKα","","0.02","0.0152","","0.0224","0.0174","0.0174","","","","","","1.0897","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072776","26.112","0.005","15.678","0.003","15.041","0.003","90","","90","","90","","6158","2","183","2","183","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C58 H74 Ca2 I N3 O6 -","- C58 H74 Ca2 I N3 O6 -","- C232 H296 Ca8 I4 N12 O24 -","4","0.5","","Gärtner, Martin; Görls, Helmar; Westerhausen, Matthias","Heteroleptic Phenylcalcium Derivatives via Metathesis Reactions of PhCa(thf)4I with Potassium Compounds","Organometallics","2007","26","4","1077","","10.1021/om061021q","","","0.71073","MoKα","","0.1201","0.0844","","","0.2121","0.2319","","","","","","1.014","","","","has coordinates,has disorder","178616","2020-10-21","18:00:00",""
"4073124","17.95","0.04","21.6","0.05","9.71","0.02","90","","90","","90","","3765","14","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C35 H17 B Cl F24 Ir P2 -","- C35 B Cl F24 Ir P2 -","- C140 B4 Cl4 F96 Ir4 P8 -","4","0.5","","Marr, Andrew C.; Nieuwenhuyzen, Mark; Pollock, Ciara L.; Saunders, Graham C.","Synthesis of Piano Stool Complexes Employing the Pentafluorophenyl-Substituted Diphosphine (C6F5)2PCH2P(C6F5)2and the Effect of Phosphine Modifiers on Hydrogen Transfer Catalysis","Organometallics","2007","26","10","2659","","10.1021/om070089i","","","0.71073","MoKα","","0.1633","0.1139","","","0.2497","0.2736","","","","","","1.082","","","","has coordinates","178620","2020-10-21","18:00:00",""
"4073147","8.2396","0.0011","15.246","0.002","37.631","0.005","90","","90","","90","","4727.2","1.1","180","2","180","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H27 F3 N O8 S Ta -","- C18 H27 F3 N O8 S Ta -","- C144 H216 F24 N8 O64 S8 Ta8 -","8","1","","Conde, Ana; Fandos, Rosa; Otero, Antonio; Rodríguez, Ana","Water-Soluble Organometallic Complexes of Tantalum: Can Alkyl and Aqua Ligands Coexist in Its Coordination Sphere?","Organometallics","2007","26","7","1568","","10.1021/om0701165","","","0.71073","MoKα","","0.1465","0.0787","","","0.1884","0.2092","","","","","","0.849","","","","has coordinates,has disorder","178620","2020-10-21","18:00:00",""
"4073438","14.748","0.005","13.785","0.005","8.82","0.003","90","","90","","90","","1793.1","1.1","203","2","203","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C11 H6 Cu F9 N4 O4 S -","- C11 H6 Cu F9 N4 O4 S -","- C44 H24 Cu4 F36 N16 O16 S4 -","4","0.5","","Pampaloni, Guido; Peloso, Riccardo; Belletti, Daniele; Graiff, Claudia; Tiripicchio, Antonio","Trifluoromethyl-Substituted Bis(pyrazolyl)methanes as Ligands for Copper and Silver: Synthesis and Spectroscopic and Structural Characterization","Organometallics","2007","26","17","4278","","10.1021/om700325t","","","1.54184","CuKα","","0.0473","0.0429","","","0.121","0.1247","","","","","","1.065","","","","has coordinates,has disorder","178623","2020-10-21","18:00:00",""
"4073577","13.2196","0.0004","11.844","0.0004","9.7441","0.0003","90","","90","","90","","1525.66","0.08","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H22 Cr Si2 -","- C16 H22 Cr Si2 -","- C64 H88 Cr4 Si8 -","4","0.5","","Braunschweig, Holger; Kupfer, Thomas","Transition-Metal-Catalyzed Bis-Silylation of Propyne by [2]Chromoarenophanes","Organometallics","2007","26","18","4634","","10.1021/om700479h","","","0.71073","MoKα","","0.0245","0.0237","","","0.0681","0.0688","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4073879","29.212","0.002","28.996","0.003","12.2327","0.001","90","","90","","90","","10361.5","1.5","223","2","223","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C94.5 H81 F6 O7 P6 Pt2 S2 -","- C94.5 H82 F6 O7 P6 Pt2 S2 -","- C378 H328 F24 O28 P24 Pt8 S8 -","4","0.5","","Hu, Jian; Lin, Ronger; Yip, John H. K.; Wong, Kwok-Yin; Ma, Dik-Lung; Vittal, Jagadese J.","Synthesis and Electronic Spectroscopy of Luminescent Cyclometalated Platinum−Anthracenyl Complexes","Organometallics","2007","26","26","6533","","10.1021/om700706r","","","0.71073","MoKα","","0.0936","0.0562","","","0.1397","0.1542","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074027","13.5889","0.0004","16.4035","0.0005","18.5564","0.0006","90","","90","","90","","4136.3","0.2","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C41 H67 Al Lu N3 -","- C41 H67 Al Lu N3 -","- C164 H268 Al4 Lu4 N12 -","4","0.5","","Zimmermann, Melanie; Estler, Frank; Herdtweck, Eberhardt; Törnroos, Karl W.; Anwander, Reiner","Distinct C−H Bond Activation Pathways in Diamido-Pyridine-Supported Rare-Earth Metal Hydrocarbyl Complexes","Organometallics","2007","26","24","6029","","10.1021/om700830k","","","0.71073","MoKα","","0.0303","0.0218","","","0.0516","0.0561","","","","","","1.07","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074074","10.0914","0.0005","22.4737","0.0011","20.9892","0.0011","90","","90","","90","","4760.2","0.4","223","2","223","2","","","","","","","","10","P n m a","-P 2ac 2n","62","","","","- C46 H46 Cl2 F3 I N2 O3 P2 Pd S -","- C46 H46 Cl2 F3 I N2 O3 P2 Pd S -","- C184 H184 Cl8 F12 I4 N8 O12 P8 Pd4 S4 -","4","0.5","","Han, Yuan; Huynh, Han Vinh; Tan, Geok Kheng","Palladium(II) Pyrazolin-4-ylidenes: Remote N-Heterocyclic Carbene Complexes and Their Catalytic Application in Aqueous Suzuki−Miyaura Coupling","Organometallics","2007","26","26","6581","","10.1021/om7009107","","","0.71073","MoKα","","0.1","0.0705","","","0.1551","0.1674","","","","","","1.079","","","","has coordinates,has disorder","178629","2020-10-21","18:00:00",""
"4074438","17.5655","0.0006","15.4579","0.0005","8.8755","0.0002","90","","90","","90","","2409.93","0.13","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H33 I2 N U -","- C22 H33 I2 N U -","- C88 H132 I8 N4 U4 -","4","0.5","","Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","From Bent to Linear Uranium Metallocenes: Influence of Counterion, Solvent, and Metal Ion Oxidation State","Organometallics","2006","25","23","5603","5611","10.1021/om060642g","","","0.71073","MoKα","","0.048","0.0472","","","0.1229","0.1233","","","","","","1.308","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074439","17.0969","0.0006","12.9933","0.0009","15.0916","0.0007","90","","90","","90","","3352.5","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H47 I2 N U -","- C32 H47 I2 N U -","- C128 H188 I8 N4 U4 -","4","0.5","","Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","From Bent to Linear Uranium Metallocenes: Influence of Counterion, Solvent, and Metal Ion Oxidation State","Organometallics","2006","25","23","5603","5611","10.1021/om060642g","","","0.71073","MoKα","","0.0516","0.0482","","","0.1279","0.1299","","","","","","1.089","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074442","22.8466","0.001","20.4868","0.0009","9.2103","0.0003","90","","90","","90","","4310.9","0.3","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H48 F6 N6 O6 S2 U -","- C34 H48 F6 N6 O6 S2 U -","- C136 H192 F24 N24 O24 S8 U4 -","4","0.5","","Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","From Bent to Linear Uranium Metallocenes: Influence of Counterion, Solvent, and Metal Ion Oxidation State","Organometallics","2006","25","23","5603","5611","10.1021/om060642g","","","0.71073","MoKα","","0.0608","0.055","","","0.1371","0.1393","","","","","","1.181","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4075195","11.749","0.002","20.215","0.004","9.792","0.002","90","","90","","90","","2325.7","0.8","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H24 Cl6 Nb2 S3 -","- C12 H24 Cl6 Nb2 S3 -","- C48 H96 Cl24 Nb8 S12 -","4","0.5","","Kakeya, Masaki; Fujihara, Takashi; Kasaya, Takashi; Nagasawa, Akira","Dinuclear Niobium(III) Complexes [{NbCl2(L)}2(μ-Cl)2(μ-L)] (L = tetrahydrothiophene, dimethyl sulfide): Preparation, Molecular Structures, and the Catalytic Activity for the Regioselective Cyclotrimerization of Alkynes","Organometallics","2006","25","17","4131","","10.1021/om0601100","","","0.71073","MoKα","","0.0626","0.0456","","","0.0906","0.0964","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075510","21.656","0.003","15.7285","0.0013","8.4351","0.0009","90","","90","","90","","2873.1","0.6","193","2","193","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H30 Cu2 I2 Mo2 S4 -","- C20 H30 Cu2 I2 Mo2 S4 -","- C80 H120 Cu8 I8 Mo8 S16 -","4","0.5","","Ren, Zhi-Gang; Li, Hong-Xi; Liu, Guang-Fei; Zhang, Wen-Hua; Lang, Jian-Ping; Zhang, Yong; Song, Ying-Lin","Synthesis of Two Heterobimetallic Cluster Isomers [(η5-C5Me5)2Mo2(μ3-S)3S(CuI)2] and [(η5-C5Me5)2Mo2(μ3-S)4(CuI)2] fromtrans-[(η5-C5Me5)2Mo2(μ-S)2S2] and Theirtrans-to-cisIsomerization, Structures, and Third-Order NLO Properties","Organometallics","2006","25","18","4351","","10.1021/om060335a","","","0.7107","MoKα","","0.0263","0.0244","","","0.0501","0.0508","","","","","","1.227","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075568","8.1062","0.0012","12.5379","0.0018","23.605","0.003","90","","90","","90","","2399.1","0.6","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Pentamethylcyclopentadienyldicarbonyldichloroboryliron 4-methylpyridine adduct","","","- C24 H28 B Cl2 Fe N O2 -","- C24 H27 B Cl2 Fe N O2 -","- C96 H108 B4 Cl8 Fe4 N4 O8 -","4","0.5","","Braunschweig, Holger; Radacki, Krzysztof; Seeler, Fabian; Whittell, George R.","Synthesis and Reactivity of Dihaloboryl Complexes","Organometallics","2006","25","19","4605","","10.1021/om060377z","","","0.71073","MoKα","","0.0426","0.0381","","","0.0954","0.0991","","","","","","1.057","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075569","8.1006","0.0004","12.6176","0.0007","23.7893","0.0013","90","","90","","90","","2431.5","0.2","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Pentamethylcyclopentadienyldicarbonyldibromoboryliron 4-methylpyridine adduct","","","- C24 H28 B Br2 Fe N O2 -","- C24 H30 B Br2 Fe N O2 -","- C96 H120 B4 Br8 Fe4 N4 O8 -","4","0.5","","Braunschweig, Holger; Radacki, Krzysztof; Seeler, Fabian; Whittell, George R.","Synthesis and Reactivity of Dihaloboryl Complexes","Organometallics","2006","25","19","4605","","10.1021/om060377z","","","0.71073","MoKα","","0.0566","0.0497","","","0.1016","0.1042","","","","","","1.236","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075575","17.969","0.005","12.7","0.004","12.078","0.003","90","","90","","90","","2756.3","1.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H36 B10 Ir2 S2 -","- C20 H36 B10 Ir2 S2 -","- C80 H144 B40 Ir8 S8 -","4","0.5","","Wang, Jian-Qiang; Herberhold, Max; Jin, Guo-Xin","Formation of Cup-Shaped Metallic Clusters via B−H Activation at the B(3)/B(6) Site of anortho-Carborane-1,2-dichalcogenolato Ligand","Organometallics","2006","25","14","3508","","10.1021/om060381a","","","0.71073","MoKα","","0.0291","0.0241","","","0.0646","0.0675","","","","","","1.079","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075859","16.9698","0.0018","19.859","0.002","9.5866","0.001","90","","90","","90","","3230.7","0.6","193","2","193","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C30 H25 F3 Ge N2 O8 S W -","- C30.8 H25 F3 Ge N2 O8 S W -","- C123.2 H100 F12 Ge4 N8 O32 S4 W4 -","4","0.5","","Saur, Isabelle; Garcia Alonso, Sonia; Gornitzka, Heinz; Lemierre, Virginie; Chrostowska, Anna; Barrau, Jacques","In Search of Cationic Germanium(II)−Transition Metal Complexes L2Ge+W(CO)5and L2Ge+W(CO)4Ge+L2","Organometallics","2005","24","12","2988","","10.1021/om050214v","","","0.71073","MoKα","","0.0282","0.0216","","","0.0507","0.0539","","","","","","1.07","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075901","9.901","0.0002","6.929","0.0001","16.5575","0.0003","90","","90","","90","","1135.91","0.03","143","2","143","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H9 Au Br3 N -","- C5 H9 Au Br3 N -","- C20 H36 Au4 Br12 N4 -","4","0.5","","Schneider, Daniel; Schuster, Oliver; Schmidbaur, Hubert","Attempted Oxidative Addition of Halogens to (Isocyanide)gold(I) Complexes§","Organometallics","2005","24","14","3547","","10.1021/om0502739","","","0.71073","MoKα","","0.0299","0.0277","","","0.0631","0.064","","","","","","1.16","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4076026","12.364","0.002","13.339","0.002","7.8955","0.0014","90","","90","","90","","1302.2","0.4","213","2","213","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H22 F I N2 Pt -","- C8 H22 F I0.886 N2 Pt -","- C32 H88 F4 I3.544 N8 Pt4 -","4","0.5","","Hughes, Russell P.; Laritchev, Roman B.; Zakharov, Lev N.; Rheingold, Arnold L.","Unexpected Formation of an Organoplatinum(IV) Fluoride Complex in the Reaction of Pt(TMEDA)(CH3)2with Perfluoro-sec-butyl Iodide","Organometallics","2005","24","20","4845","","10.1021/om0504654","","","0.71073","MoKα","","0.0306","0.0276","","","0.0688","0.0699","","","","","","1.173","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076031","8.062","0.0009","24.103","0.0007","9.958","0.0017","90","","90","","90","","1935","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H11 Fe S0.5 -","- C12 H11 Fe S0.5 -","- C96 H88 Fe8 S4 -","8","1","","Mathur, Pradeep; Singh, Amrendra K.; Singh, Vinay K.; Singh, Priti; Rahul,; Mobin, Shaikh M.; Thöne, Carsten","Coupling Reactions of Ferrocenylacetylene with Mononuclear Metal Carbonyls Fe(CO)5and M(CO)6(M = Mo, W): Synthesis and Characterization of [Fe(CO)2{η5-2,5-Fc2C5H2CO}C(Fc)CH], [Fe(CO)2{η2:η2-2,5-Fc2C4H2Fe(CO)3}-μ-CO], [Fe(CO)3{η2:η2-2,5-Fc2C4H2CO}], 1,2,4-Triferrocenylbenzene, 2,5-Diferrocenylthiophene, and 2,5-Diferrocenylselenophene","Organometallics","2005","24","20","4793","","10.1021/om0504755","","","0.71073","MoKα","","0.0556","0.0481","","","0.149","0.1567","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076090","14.398","0.003","25.476","0.005","10.577","0.002","90","","90","","90","","3879.7","1.3","213","2","213","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H60 O2 Si8 -","- C22 H60 O2 Si8 -","- C88 H240 O8 Si32 -","4","0.5","","Stueger, Harald; Fuerpass, Gottfried; Renger, Karin; Baumgartner, Judith","Synthesis, Structures, and Unusual Photoluminescence of O- and N-Functional Cyclohexasilanes","Organometallics","2005","24","26","6374","","10.1021/om050587w","","","0.71073","MoKα","","0.0922","0.0655","","","0.1872","0.2038","","","","","","1.018","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076171","18.88","0.1","22.13","0.12","11.15","0.06","90","","90","","90","","4659","4","211","2","211","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C51 H55 Cl Cr Li N3 O3 -","- C51 H56 Cl Cr Li N3 O4 -","- C204 H224 Cl4 Cr4 Li4 N12 O16 -","4","0.5","","Crewdson, Patrick; Gambarotta, Sandro; Djoman, Marie-Charlotte; Korobkov, Ilia; Duchateau, Robbert","Switchable Chromium(II) Ethylene Oligomerization/Polymerization Catalyst","Organometallics","2005","24","22","5214","","10.1021/om050699n","","","0.71073","MoKα","","0.1026","0.0633","","","0.1279","0.1428","","","","","","1.039","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076227","14.1272","0.0009","22.0377","0.0014","18.5255","0.0011","90","","90","","90","","5767.6","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H69 B20 Er2 Mg N11 -","- C30 H70 B20 Er2 Mg N11 -","- C120 H280 B80 Er8 Mg4 N44 -","4","0.5","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of 13-Vertex Lanthanacarboranes Bearing η7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4468","","10.1021/om050417j","","","0.71073","MoKα","","0.0883","0.0647","","","0.1887","0.2113","","","","","","0.989","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076322","12.948","0.003","32.013","0.003","9.058","0.002","90","","90","","90","","3754.6","1.3","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C46 H39 Co O9 -","- C46 H34 Co O9 -","- C184 H136 Co4 O36 -","4","0.5","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Shape Takes the Lead: Templating Organic 3D-Frameworks around Organometallic Sandwich Compounds","Organometallics","2012","31","5","1688","","10.1021/om200837t","","","0.71073","MoKα","","0.1129","0.0864","","","0.2495","0.2866","","","","","","1.038","","","","has coordinates,has disorder","178652","2020-10-21","18:00:00",""
"4076426","18.5564","0.0013","15.2146","0.001","24.4022","0.0016","90","","90","","90","","6889.4","0.8","173","2","173","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C74 H78 F3 Ir O10.5 P4 Ru S -","- C60 H50 F3 Ir O7 P4 Ru S -","- C240 H200 F12 Ir4 O28 P16 Ru4 S4 -","4","0.5","","MacDougall, Tiffany J.; Samant, Rahul G.; Trepanier, Steven J.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Geminal Carbon‒Hydrogen Bond Activation in Cumulenes Promoted by Adjacent Iridium/Ruthenium Centers","Organometallics","2012","31","5","1857","","10.1021/om201201h","","","0.71073","MoKα","","0.0664","0.0608","","","0.1354","0.1379","","","","","","1.131","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4076483","8.5743","0.001","14.2503","0.0017","13.7914","0.0016","90","","90","","90","","1685.1","0.3","100","0.1","100","0.1","","","","","","","","7","P n m a","-P 2ac 2n","62","Na-2","[Ir(bdmpza)Cl3]Na","","- C12 H15 Cl3 Ir N4 Na O2 -","- C12 H15 Cl3 Ir N4 Na O2 -","- C48 H60 Cl12 Ir4 N16 Na4 O8 -","4","0.5","","Rhinehart, Jennifer L.; Manbeck, Kimberly A.; Buzak, Sara K.; Lippa, Geoffrey M.; Brennessel, William W.; Goldberg, Karen I.; Jones, William D.","Catalytic Arene H/D Exchange with Novel Rhodium and Iridium Complexes","Organometallics","2012","31","5","1943","","10.1021/om2012419","","","0.71073","MoKα","","0.0744","0.041","","","0.0904","0.1023","","","","","","1.025","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076503","18.539","0.003","18.881","0.003","11.2747","0.0015","90","","90","","90","","3946.5","1","100","","100","","","","","","","","tetrahydrofuran","6","P n m a","-P 2ac 2n","62","","(E,E)-1,6,11-tris(4-tolylsulfonyl)-1,6,11-triazacyclopentadeca-3,8-diene- 13-yne-nickel(0)-1,5-cyclooctadiene-nickel(0)","","- C39.67 H47 N3 Ni1.83 O6 S3 -","- C39.672 H47.008 N3 Ni1.834 O6 S3 -","- C158.688 H188.032 N12 Ni7.336 O24 S12 -","4","0.5","","Brun, Sandra; Pla-Quintana, Anna; Roglans, Anna; Pörschke, Klaus-Richard; Goddard, Richard","Nickel(0) Complexes of Polyunsaturated Azamacrocyclic Ligands","Organometallics","2012","31","5","1983","","10.1021/om201271y","","","0.71073","Mo-Kα","","0.1214","0.0857","","","0.2024","0.2199","","","","","","1.163","","","","has coordinates,has disorder","178654","2020-10-21","18:00:00",""
"4076659","11.2383","0.0014","20.86","0.008","14.733","0.003","90","","90","","90","","3453.9","1.6","183","2","183","2","","","","","","","","6","P n m a","-P 2ac 2n","62","[HB(3,5-(CF3)2Pz)3]CuC2H4.2(C6H6)","","","- C29 H20 B Cu F18 N6 -","- C29 H20 B Cu F18 N6 -","- C116 H80 B4 Cu4 F72 N24 -","4","0.5","","Dias, H. V. Rasika; Lu, Hui-Ling; Kim, Hyoung-Juhn; Polach, Sharon A.; Goh, Timothy K. H. H.; Browning, R. Greg; Lovely, Carl J.","Copper(I) Ethylene Adducts and Aziridination Catalysts Based on Fluorinated Tris(pyrazolyl)borates [HB(3-(CF3),5-(R)Pz)3]-(where R = CF3, C6H5, H; Pz = pyrazolyl)","Organometallics","2002","21","7","1466","","10.1021/om010886v","","","0.71073","MoKα","","0.0679","0.0443","","","0.1035","0.1152","","","","","","1.035","","","","has coordinates,has disorder","178655","2020-10-21","18:00:00",""
"4076671","20.183","0.0004","13.1745","0.0003","11.1624","0.0002","90","","90","","90","","2968.09","0.1","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H19 O9 Os3 Sb -","- C27 H19 O9 Os3 Sb -","- C108 H76 O36 Os12 Sb4 -","4","0.5","","Deng, Mingli; Leong, Weng Kee","Reactions of the Triosmium−Antimony Cluster Os3(μ-SbPh2)(μ-H)(μ3,η2-C6H4)(CO)9with Alkynes: C−C Bond Coupling to a Cluster-Bound Phenylene and Catalytic Alkyne Cyclotrimerization","Organometallics","2002","21","6","1221","","10.1021/om010911x","","","0.71073","MoKα","","0.0437","0.0334","","","0.071","0.0735","","","","","","1.001","","","","has coordinates","178655","2020-10-21","18:00:00",""
"4076806","18.0642","0.0001","14.7379","0.0001","10.5269","0.0001","90","","90","","90","","2802.56","0.04","130","2","130","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H44 Ir O P -","- C29 H44 Ir O P -","- C116 H176 Ir4 O4 P4 -","4","0.5","","Termaten, Arjan T.; Nijbacker, Tom; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","Synthesis of Novel Terminal Iridium Phosphinidene Complexes","Organometallics","2002","21","15","3196","","10.1021/om020062t","","","0.71073","MoKα","","0.0485","0.0287","","","0.0742","0.0815","","","","","","0.891","","","","has coordinates","178657","2020-10-21","18:00:00",""
"4076814","19.342","0.002","13.269","0.001","11.484","0.001","90","","90","","90","","2947.4","0.5","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C12 H25 Ga3 -","- C12 H25 Ga3 -","- C96 H200 Ga24 -","8","1","","Uhl, Werner; Cuypers, Lars; Neumüller, Bernhard; Weller, Frank","Hydrogallation of Alkynes: Syntheses of Carbon−Gallium Cages Possessing Heteroadamantane Structures","Organometallics","2002","21","12","2365","","10.1021/om020072u","","","0.71073","MoKα","","0.0489","0.0301","","","0.0563","0.0579","","","","","","1.48","","","","has coordinates","178657","2020-10-21","18:00:00",""
"4076923","17.395","0.0015","10.6646","0.0009","14.7196","0.0013","90","","90","","90","","2730.6","0.4","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H34 Cr4 N O2 S2 -","- C28 H35 Cr4 N O2 S2 -","- C112 H140 Cr16 N4 O8 S8 -","4","0.5","","Goh, Lai Yoong; Weng, Zhiqiang; Hor, Andy T. S.; Leong, Weng Kee","Organometallic Radical-Initiated Carbon−Sulfur Bond Cleavage and Carbon−Carbon Coupling in Dithiocarbamate and Thiocarbenoid Cyclopentadienylchromium Complexes","Organometallics","2002","21","21","4408","","10.1021/om020294s","","","0.71073","MoKα","","0.1036","0.085","","","0.2066","0.217","","","","","","1.145","","","","has coordinates,has disorder","178658","2020-10-21","18:00:00",""
"4077191","13.6584","0.0003","15.5046","0.0003","10.0386","0.0002","90","","90","","90","","2125.85","0.08","123","2","123","2","","","","","","","chemical synthesis","4","P n m a","-P 2ac 2n","62","","η^6^-1,4:5,8:9,12-Triethyleno-1,2,3,4,5,6,7,8,9,10,11,12- dodecahydrotriphenylenechromium(0)tricarbonyl","","- C27 H30 Cr O3 -","- C27 H30 Cr O3 -","- C108 H120 Cr4 O12 -","4","0.5","","Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.","Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures","Organometallics","2001","20","1","115","","10.1021/om000658l","","","0.71073","MoKα","","0.0882","0.0481","","0.1165","0.0953","","","","1.085","1.103","1.103","","","","","has coordinates","178660","2020-10-21","18:00:00",""
"4077202","10.1068","0.0007","13.803","0.001","12.402","0.003","90","","90","","90","","1730.1","0.5","250","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H11 Cl Si0.5 Zr0.5 -","- C8 H11 Cl Si0.5 Zr0.5 -","- C64 H88 Cl8 Si4 Zr4 -","8","1","","Antiñolo, Antonio; López-Solera, Isabel; Orive, Irache; Otero, Antonio; Prashar, Sanjiv; Rodríguez, Ana M.; Villaseñor, Elena","Niobium and Zirconium Complexes Incorporating Asymmetrically SubstitutedansaLigands. X-ray Crystal Structures of [Me2Si(η5-C5Me4)(η5-C5H3R)]Nb(NtBu)Cl (R = Me,iPr) and [Me2Si(η5-C5Me4)(η5-C5H3R)]ZrCl2(R = H, Me)","Organometallics","2001","20","1","71","","10.1021/om0006662","","","0.7107","MoKα","","0.081","0.0396","","","0.0752","0.098","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077203","10.626","0.008","13.839","0.003","12.47","0.008","90","","90","","90","","1833.8","1.9","250","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8.5 H11.5 Cl Si0.5 Zr0.5 -","- C8.5 H11.5 Cl Si0.5 Zr0.5 -","- C68 H92 Cl8 Si4 Zr4 -","8","1","","Antiñolo, Antonio; López-Solera, Isabel; Orive, Irache; Otero, Antonio; Prashar, Sanjiv; Rodríguez, Ana M.; Villaseñor, Elena","Niobium and Zirconium Complexes Incorporating Asymmetrically SubstitutedansaLigands. X-ray Crystal Structures of [Me2Si(η5-C5Me4)(η5-C5H3R)]Nb(NtBu)Cl (R = Me,iPr) and [Me2Si(η5-C5Me4)(η5-C5H3R)]ZrCl2(R = H, Me)","Organometallics","2001","20","1","71","","10.1021/om0006662","","","0.7107","MoKα","","0.3153","0.0977","","","0.1614","0.2625","","","","","","0.832","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077226","12.8395","0.001","15.0348","0.0015","17.2473","0.0013","90","","90","","90","","3329.4","0.5","295","2","295","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C22 H31 B10 Cl P2 Pd Sn -","- C22 H31 B10 Cl P2 Pd Sn -","- C88 H124 B40 Cl4 P8 Pd4 Sn4 -","4","0.5","","Lee, Taegweon; Lee, Soon W.; Jang, Ho G.; Kang, Sang Ook; Ko, Jaejung","Synthesis and Reactivity of Organotin Compounds Containing the C,P-Chelatingo-Carboranylphosphino Ligand [o-C2B10H10PPh2-C,P](CabC,P). X-ray Structures of (CabC,CH2P)SnMe2Br, [(CabC,P)SnMe2]2Pd, and [(CabC,P)SnMe2]Pd(PEt3)Cl","Organometallics","2001","20","4","741","","10.1021/om0007872","","","0.71073","MoKα","","0.0613","0.0462","","","0.1167","0.1264","","","","","","1.061","","","","has coordinates","178661","2020-10-21","18:00:00",""
"4077276","16.985","0.009","20.15","0.009","9.374","0.003","90","","90","","90","","3208","2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C26 H56 Cl Ir Sb2 -","- C26 H56 Cl Ir Sb2 -","- C104 H224 Cl4 Ir4 Sb8 -","4","0.5","","Ortmann, Dagmara A.; Gevert, Olaf; Laubender, Matthias; Werner, Helmut","Square-Planar Bis(triisopropylstibine)(olefin)iridium(I) Complexes and Their Rearrangement to (η3-Allyl)hydridoiridium(III) Isomers","Organometallics","2001","20","9","1776","","10.1021/om001078r","","","0.7093","MoKα","","0.082","0.0407","","0.1136","0.0864","","","","1.051","1.003","1.003","","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00",""
"4077367","14.445","0.002","17.928","0.002","12.903","0.002","90","","90","","90","","3341.5","0.8","296.2","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C27 H39 Br2 Cl3 N4 Pd2 -","- C27 H39 Br2 Cl3 N4 Pd2 -","- C108 H156 Br8 Cl12 N16 Pd8 -","4","0.5","","Tsubomura, Taro; Tanihata, Takayuki; Yamakawa, Tetsuya; Ohmi, Rakuko; Tamane, Tsuyoshi; Higuchi, Akon; Katoh, Akira; Sakai, Ken","Synthesis and Structure of New Binuclear Organopalladium Macrocyclic Complexes","Organometallics","2001","20","18","3833","","10.1021/om0103862","","","0.7107","MoKα","","","0.0485","","","","0.1151","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077526","8.545","0.0017","13.506","0.003","13.253","0.003","90","","90","","90","","1529.5","0.6","210","2","210","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H15 As3 O2 W -","- C12 H15 As3 O2 W -","- C48 H60 As12 O8 W4 -","4","0.5","","Johnson, Brian P.; Schiffer, Michael; Scheer, Manfred","Novel Approach to Intermediates Containing a Tungsten−Arsenic Triple Bond†","Organometallics","2000","19","17","3404","","10.1021/om0003436","","","0.71073","MoKα","","0.0298","0.0269","","","0.0691","0.0706","","","","","","1.102","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077541","7.6496","0.0012","14.278","0.003","9.039","0.002","90","","90","","90","","987.2","0.3","153","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","bis(η^2^-ethene)(2,4-pentanedionato)rhodium(I)","","- C9 H15 O2 Rh -","- C9 H15 O2 Rh -","- C36 H60 O8 Rh4 -","4","0.5","","Bühl, Michael; Håkansson, Mikael; Mahmoudkhani, Amir H.; Öhrström, Lars","X-ray Structures and DFT Calculations on Rhodium−Olefin Complexes: Comments on the103Rh NMR Shift−Stability Correlation","Organometallics","2000","19","26","5589","","10.1021/om000419y","","","0.71073","MoKα","","0.0517","0.0253","","0.0991","0.0733","","","","0.74","0.646","0.646","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077542","16.9179","0.0003","8.2015","0.00001","8.5513","0.0002","90","","90","","90","","1186.51","0.03","183","2","183","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","bis(η^2^-ethene)(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato)rhodium(I)","","- C9 H9 F6 O2 Rh -","- C9 H9 F6 O2 Rh -","- C36 H36 F24 O8 Rh4 -","4","0.5","","Bühl, Michael; Håkansson, Mikael; Mahmoudkhani, Amir H.; Öhrström, Lars","X-ray Structures and DFT Calculations on Rhodium−Olefin Complexes: Comments on the103Rh NMR Shift−Stability Correlation","Organometallics","2000","19","26","5589","","10.1021/om000419y","","","0.71073","MoKα","","0.0704","0.0421","","","0.0773","0.0882","","","","","","1.045","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077546","12.4923","0.0008","20.6369","0.001","10.0889","0.0012","90","","90","","90","","2600.9","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H28 Cl2 Fe Pt S2 -","- C28 H28 Cl2 Fe Pt S2 -","- C112 H112 Cl8 Fe4 Pt4 S8 -","4","0.5","","Gibson, Vernon C.; Long, Nicholas J.; White, Andrew J. P.; Williams, Charlotte K.; Williams, David J.","Hang-gliding with Ferrocenes: Unusual Coordination Chemistry of 1,1‘-Bis(mesitylthio)ferrocene","Organometallics","2000","19","21","4425","","10.1021/om0004388","","","1.54178","CuKα","","0.0422","0.0328","","0.0789","0.0734","","","","1.064","1.087","1.087","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077547","15.518","0.002","23.182","0.004","10.2274","0.0015","90","","90","","90","","3679.2","1","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H30 Br2 Fe O6 Re2 S2 -","- C34 H30 Br2 Fe O6 Re2 S2 -","- C136 H120 Br8 Fe4 O24 Re8 S8 -","4","0.5","","Gibson, Vernon C.; Long, Nicholas J.; White, Andrew J. P.; Williams, Charlotte K.; Williams, David J.","Hang-gliding with Ferrocenes: Unusual Coordination Chemistry of 1,1‘-Bis(mesitylthio)ferrocene","Organometallics","2000","19","21","4425","","10.1021/om0004388","","","0.71073","MoKα","","0.1096","0.0489","","0.1375","0.0717","","","","1.012","1.116","1.116","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077791","12.9","0.002","14.456","0.002","8.5349","0.0008","90","","90","","90","","1591.6","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H20 Cr O3 Si -","- C12 H20 Cr O3 Si2 -","- C48 H80 Cr4 O12 Si8 -","4","0.5","","Ueno, Keiji; Masuko, Akira; Ogino, Hiroshi","Synthesis, Crystal Structures, and Fluxional Behavior of Donor-Bridged Bis(silylene)molybdenum and -chromium Complexes","Organometallics","1999","18","14","2694","","10.1021/om990201f","","","0.71073","MoKα","","0.1959","0.0654","","0.2056","0.1427","","","","1.023","1.151","1.151","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077829","17.593","0.002","11.6592","0.0007","12.979","0.001","90","","90","","90","","2662.3","0.4","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H36 O2 Rh2 S2 Ti -","- C26 H36 O2 Rh2 S2 Ti -","- C104 H144 O8 Rh8 S8 Ti4 -","4","0.5","","Casado, Miguel A.; Pérez-Torrente, Jesús J.; Ciriano, Miguel A.; Edwards, Andrew J.; Lahoz, Fernando J.; Oro, Luis A.","Deprotonation of Cp2Ti(SH)2with Mononuclear Rhodium and Iridium Compounds: A New Route to Trinuclear Early−Late Heterobimetallic Complexes","Organometallics","1999","18","25","5299","","10.1021/om990623p","","","0.71073","MoKα","","0.0271","0.023","","0.062","","0.0588","","","1.078","","","1.08","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077976","12.3105","0.0013","18.709","0.002","12.5383","0.0013","90","","90","","90","","2887.8","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C52 H72 Fe4 O8 Si2 Sn2 -","- C52 H72 Fe4 O8 Si2 Sn2 -","- C104 H144 Fe8 O16 Si4 Sn4 -","2","0.25","","Zhu, Bolin; Li, Yuan; Chen, Yunfei; Shi, Wei","Reactions of SnMe2-Bridged Bis(cyclopentadienes) with Iron Pentacarbonyl: Migration of the SnMe2Group","Organometallics","2012","31","8","3035","","10.1021/om201151c","","","0.71073","MoKα","","0.0252","0.0215","","","0.0542","0.0572","","","","","","1.035","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4078006","19.1953","0.0002","13.3301","0.0007","7.803","0.0005","90","","90","","90","","1996.59","0.17","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H25 B Mg N6 -","- C16 H25 B Mg N6 -","- C64 H100 B4 Mg4 N24 -","4","0.5","","Michel, Olaf; Dietrich, H. Martin; Litlabø, Rannveig; Törnroos, Karl W.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Tris(pyrazolyl)borate Complexes of the Alkaline-Earth Metals: Alkylaluminate Precursors and Schlenk-Type Rearrangements","Organometallics","2012","31","8","3119","","10.1021/om300032c","","","0.71073","MoKα","","0.0729","0.0677","","","0.1494","0.1515","","","","","","1.356","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078119","13.7034","0.0007","11.7088","0.0006","10.3673","0.0005","90","","90","","90","","1663.44","0.14","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C12 H24 B10 -","- C12 H25 B10 -","- C48 H100 B40 -","4","0.5","","Wang, Sunewang Rixin; Xie, Zuowei","Reaction of Carboryne with Alkylbenzenes","Organometallics","2012","31","8","3316","","10.1021/om300129t","","","0.71073","MoKα","","0.0645","0.0561","","","0.1605","0.1763","","","","","","1.081","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078331","6.7455","0.0006","16.1596","0.0013","12.9502","0.0009","90","","90","","90","","1411.6","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H6 N4 O4 Rh2 -","- C10 H6 N4 O4 Rh2 -","- C40 H24 N16 O16 Rh8 -","4","0.5","","Tejel, Cristina; Villoro, José M.; Ciriano, Miguel A.; López, José A.; Eguizábal, Eduardo; Lahoz, Fernando J.; Bakhmutov, Vladimir I.; Oro, Luis A.","Dynamic Behavior, Redistribution Reactions, and Intermetallic Distances of Dinuclear Bis(μ-pyrazolato)rhodium(I) Complexes","Organometallics","1996","15","13","2967","","10.1021/om960005y","","","0.71073","MoKα","","0.0381","0.0187","","0.0411","0.0379","","","","0.861","1.033","1.033","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078406","24.263","0.002","14.663","0.002","7.9793","0.0013","90","","90","","90","","2838.8","0.6","153","2","153","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H39 B2 F8 Mo N2 P3 -","- C18 H40 B2 F8 Mo N2 P3 -","- C72 H160 B8 F32 Mo4 N8 P12 -","4","0.5","","Fettinger, James C.; Kraatz, Heinz-Bernard; Poli, Rinaldo; Quadrelli, Elsje Alessandra; Torralba, Raymund C.","Electrophilic Addition vs Electron Transfer for the Interaction of Ag+with Molybdenum(II) Hydrides. 1. Reaction with CpMoH(PMe3)3and the Mechanism of Decomposition of [CpMoH(PMe3)3]+","Organometallics","1998","17","26","5767","","10.1021/om9805786","","","0.71073","MoKα","","0.0729","0.0391","","0.0809","0.0692","","","","1.111","1.153","1.153","","","","","has coordinates,has disorder","178673","2020-10-21","18:00:00",""
"4078506","22.929","0.002","17.504","0.002","10.4044","0.001","90","","90","","90","","4175.8","0.7","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","[Pd(OPiv)2]3","","","- C30 H54 O12 Pd3 -","- C30 H54 O12 Pd3 -","- C120 H216 O48 Pd12 -","4","0.5","","Li, Yang; Wang, Wen-Hua; He, Ke-Han; Shi, Zhang-Jie","Mechanistic Insight into the Regioselective Palladation of Indole Derivatives: Tetranuclear Indolyl Palladacycles with High C2‒Pd or C3‒Pd Bond Selectivity","Organometallics","2012","31","12","4397","","10.1021/om300284t","","","0.71073","MoKα","","0.127","0.0759","","","0.1592","0.2075","","","","","","1.152","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078561","13.87","0.001","10.9081","0.0008","12.6168","0.0009","90","","90","","90","","1908.9","0.2","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H24 B10 Fe -","- C14 H24 B10 Fe -","- C56 H96 B40 Fe4 -","4","0.5","","Wang, Sunewang Rixin; Xie, Zuowei","Formal Insertion ofo-Carborynes into Ferrocenyl C‒H Bonds: A Simple Access too-Carboranylferrocenes","Organometallics","2012","31","12","4544","","10.1021/om300324n","","","0.71073","MoKα","","0.0445","0.0379","","","0.1048","0.1154","","","","","","1.057","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078640","17.8021","0.0009","22.4724","0.0012","11.0253","0.0005","90","","90","","90","","4410.7","0.4","100","2","100","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C42 H37 F12 N3 O P4 Pd S -","- C42 H37 F12 N3 O P4 Pd S -","- C168 H148 F48 N12 O4 P16 Pd4 S4 -","4","0.5","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","0.71073","MoKα","","0.0458","0.029","","","0.0621","0.0689","","","","","","1.035","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078778","23.6393","0.0007","7.5262","0.0003","9.187","0.0003","90","","90","","90","","1634.5","0.1","183","2","183","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","[2-(Ethoxymethylidenyl)-4-methyl-4-<i>H</i>-thienopyrrole](pentacarbonyl) chromium","","- C15 H11 Cr N O6 S -","- C15 H11 Cr N O6 S -","- C60 H44 Cr4 N4 O24 S4 -","4","0.5","","Lotz, Simon; van Jaarsveld, Nina A.; Liles, David C.; Crause, Chantelle; Görls, Helmar; Terblans, Yvette M.","Fischer Dinuclear and Mononuclear Bis-Carbene Complexes of Thiophene and Thiophene Derivatives","Organometallics","2012","31","15","5371","","10.1021/om300414y","","","0.71073","MoKα","","0.0501","0.039","","","0.1151","0.1195","","","","","","1.007","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078902","7.3202","0.0006","11.6155","0.0013","27.281","0.002","90","","90","","90","","2319.6","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H20 I3 N5 O2 Rh -","- C14 H21 I3 N5 O2 Rh -","- C56 H84 I12 N20 O8 Rh4 -","4","0.5","","Segarra, Candela; Mas-Marzá, Elena; Mata, José A.; Peris, Eduardo","Rhodium and Iridium Complexes with ChelatingC‒C′-Imidazolylidene‒Pyridylidene Ligands: Systematic Approach to Normal, Abnormal, and Remote Coordination Modes","Organometallics","2012","31","14","5169","","10.1021/om3005096","","","0.71073","MOKα","","0.063","0.0432","","","0.0839","0.0931","","","","","","1.212","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4079130","15.649","0.002","10.3162","0.0015","6.9097","0.001","90","","90","","90","","1115.5","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H10 Cr O3 -","- C13 H10 Cr O3 -","- C52 H40 Cr4 O12 -","4","0.5","","Nikitin, Kirill; Bothe, Cornelia; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","High and Low Rotational Barriers in Metal Tricarbonyl Complexes of 2- and 3-Indenyl Anthracenes and Triptycenes: Rational Design of Molecular Brakes","Organometallics","2012","31","17","6183","","10.1021/om300512z","","","0.71073","MoKα","","0.0425","0.0386","","","0.1005","0.1021","","","","","","1.196","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079243","8.2565","0.0002","23.3232","0.0006","9.7291","0.0002","90","","90","","90","","1873.51","0.08","115","","115","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H20 Fe2 S -","- C24 H20 Fe2 S -","- C96 H80 Fe8 S4 -","4","0.5","","Speck, J. Matthäus; Claus, Ron; Hildebrandt, Alexander; Rüffer, Tobias; Erasmus, Elizabeth; van As, Lydia; Swarts, Jannie C.; Lang, Heinrich","Electron Transfer Studies on Ferrocenylthiophenes: Synthesis, Properties, and Electrochemistry","Organometallics","2012","31","17","6373","","10.1021/om3006036","","","0.71073","MoKα","","0.0347","0.0284","","","0.0652","0.068","","","","","","1.044","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079424","19.9277","0.0005","30.3587","0.0007","13.5975","0.0003","90","","90","","90","","8226.2","0.3","100","2","100","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C76 H48 Al Cl2 Cr F36 O4 P4 -","- C76 H48 Al Cl2 Cr F36 O4 P4 -","- C304 H192 Al4 Cl8 Cr4 F144 O16 P16 -","4","0.5","","Stennett, Tom E.; Haddow, Mairi F.; Wass, Duncan F.","Avoiding MAO: Alternative Activation Methods in Selective Ethylene Oligomerization","Organometallics","2012","31","19","6960","","10.1021/om300739m","","","0.71073","MoKα","","0.095","0.0663","","","0.1641","0.1839","","","","","","1.024","","","","has coordinates,has disorder","178683","2020-10-21","18:00:00",""
"4079587","21.9709","0.0011","9.1344","0.0005","9.2153","0.0005","90","","90","","90","","1849.43","0.17","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C15 H17 Br2 Cl2 N Pd -","- C15 H17 Br2 Cl2 N Pd -","- C60 H68 Br8 Cl8 N4 Pd4 -","4","0.5","","Mantas-Öktem, Kevser; Öfele, Karl; Pöthig, Alexander; Bechlars, Bettina; Herrmann, Wolfgang A.; Kühn, Fritz E.","Reactions of Nitrogen Donors with Cycloheptatrienylidene Complexes: Metal Coordination versus Nucleophilic Attack on the Carbene Ligand","Organometallics","2012","31","23","8249","","10.1021/om300867g","","","0.71073","MoKα","","0.0241","0.0225","","","0.0511","0.0523","","","","","","1.138","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079635","20.2183","0.0004","14.8686","0.0004","15.0359","0.0003","90","","90","","90","","4520.06","0.18","133","2","133","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C47 H41 B Cl4 F4 N2 P2 Pd -","- C47 H41 B Cl4 F4 N2 P2 Pd -","- C188 H164 B4 Cl16 F16 N8 P8 Pd4 -","4","0.5","","Guo, Tongxun; Dechert, Sebastian; Meyer, Steffen; Meyer, Franc","Convenient Synthetic Route to Palladium Complexes of Unconventional N-Heterocyclic Carbenes Derived from Pyridazine and Phthalazine","Organometallics","2012","31","24","8537","","10.1021/om300899r","","","0.71073","MoKα","","0.0637","0.0508","","","0.1181","0.1246","","","","","","1.072","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079998","18.0319","0.0012","21.0177","0.0013","7.8317","0.0005","90","","90","","90","","2968.1","0.3","123","2","123","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C39 H33 N -","- C39 H33 N -","- C156 H132 N4 -","4","0.5","","Hicks, Jamie; Hadlington, Terrance J.; Schenk, Christian; Li, Jiaye; Jones, Cameron","Utilizing Steric Bulk to Stabilize Molybdenum Aminogermylyne and Aminogermylene Complexes","Organometallics","2013","32","1","323","","10.1021/om301144h","","","0.71073","MoKα","","0.0643","0.0417","","","0.0983","0.1112","","","","","","1.021","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4080204","20.021","0.003","19.555","0.002","10.4855","0.0008","90","","90","","90","","4105.2","0.8","120","2","120","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H47 I N2 P3 Si2 Y -","- C36 H47 I N2 P3 Si2 Y -","- C144 H188 I4 N8 P12 Si8 Y4 -","4","0.5","","Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Reactivity Studies of a T-Shaped Yttrium Carbene: C‒F and C‒O Bond Activation and C═C Bond Formation Promoted by [Y(BIPM)(I)(THF)2] (BIPM = C(PPh2NSiMe3)2)","Organometallics","2013","32","5","1239","","10.1021/om301016j","","","1.5418","CuKα","","0.178","0.0961","","","0.1916","0.2595","","","","","","1.067","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080254","21.38","0.0008","14.6367","0.0006","8.4907","0.0004","90","","90","","90","","2657.02","0.19","130","2","130","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H33 N3 Sn Yb -","- C28 H33 N3 Sn Yb -","- C112 H132 N12 Sn4 Yb4 -","4","0.5","","Zeckert, Kornelia","Pyridyl Compounds of Heavier Group 13 and 14 Elements as Ligands for Lanthanide Metals","Organometallics","2013","32","5","1387","","10.1021/om301032x","","","0.71073","MoKα","","0.0441","0.0243","","","0.0443","0.0463","","","","","","0.873","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080308","22.463","0.004","15.761","0.002","12.5635","0.0015","90","","90","","90","","4448","1.1","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H63 Cd F3 O9 Zr2 -","- C29 H63 Cd F3 O9 Zr2 -","- C116 H252 Cd4 F12 O36 Zr8 -","4","0.5","","Hegemann, Corinna; Tyrra, Wieland; Neudörfl, Jörg-Martin; Mathur, Sanjay","Synthetic and Structural Investigations on the Reactivity of the Cd‒I Bond in [ICd{Zr2(OPri)9}] to Construct New Mixed-Metal Alkoxides","Organometallics","2013","32","6","1654","","10.1021/om301053b","","","0.71073","MoKα","","0.1685","0.0477","","","0.1101","0.1407","","","","","","0.71","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080575","14.146","0.009","11.768","0.007","7.447","0.005","90","","90","","90","","1239.7","1.4","291","2","291","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C2 H12 B10 S3 -","- C2 H12 B10 S3 -","- C8 H48 B40 S12 -","4","0.5","","Zhang, Xiaolei; Tang, Xiao; Yang, Jiajia; Li, Yizhi; Yan, Hong; Bregadze, Vladimir I.","Boron-Substitutedo-Carboranetrithiol To Construct Trimeric Cobalt Clusters","Organometallics","2013","32","6","2014","","10.1021/om400097m","","","0.71073","MoKα","","0.0854","0.054","","","0.091","0.0985","","","","","","1.161","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080849","18.6552","0.0005","12.1772","0.0003","10.9035","0.0002","90","","90","","90","","2476.93","0.1","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","1683 [Mo(PNPMe-iPr)(CO)3] (2d)","[Mo(PNPMe-iPr)(CO)3] (2d)","","- C22 H37 Mo N3 O3 P2 -","- C22 H37 Mo N3 O3 P2 -","- C88 H148 Mo4 N12 O12 P8 -","4","0.5","","Oztopcu, Ozgür; Holzhacker, Christian; Puchberger, Michael; Weil, Matthias; Mereiter, Kurt; Veiros, Luis F.; Kirchner, Karl","Synthesis and Characterization of Hydrido Carbonyl Molybdenum and Tungsten PNP Pincer Complexes.","Organometallics","2013","32","10","3042","3052","10.1021/om400254k","","","0.71073","MoKα","","0.0276","0.0217","","","0.0507","0.0534","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080875","19.8674","0.0017","13.3922","0.0011","8.3251","0.0007","90","","90","","90","","2215","0.3","110","2","110","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H24 Au Br2 N3 O2 -","- C19 H24 Au Br2 N3 O2 -","- C76 H96 Au4 Br8 N12 O8 -","4","0.5","","Reeds, Jonathan P.; Whitwood, Adrian C.; Healy, Mark P.; Fairlamb, Ian J. S.","Synthesis and Reactivity of N-Heterocyclic Carbene Gold(I) and Gold(III) Imidate Complexes and Their Catalytic Activity in 1,5-Enyne Cycloisomerization","Organometallics","2013","32","10","3108","","10.1021/om400310z","","","0.71073","MoKα","","0.0352","0.0319","","","0.0845","0.0871","","","","","","1.073","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080876","11.8766","0.0006","17.1592","0.0009","9.4378","0.0005","90","","90","","90","","1923.36","0.17","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H24 Au N3 O2 -","- C19 H24 Au N3 O2 -","- C76 H96 Au4 N12 O8 -","4","0.5","","Reeds, Jonathan P.; Whitwood, Adrian C.; Healy, Mark P.; Fairlamb, Ian J. S.","Synthesis and Reactivity of N-Heterocyclic Carbene Gold(I) and Gold(III) Imidate Complexes and Their Catalytic Activity in 1,5-Enyne Cycloisomerization","Organometallics","2013","32","10","3108","","10.1021/om400310z","","","0.71073","MoKα","","0.0246","0.02","","","0.0441","0.0456","","","","","","1.022","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080899","18.893","0.005","9.615","0.005","8.14","0.005","90","","90","","90","","1478.7","1.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","[(COD)Pt(Me)(CC(4F)Ph)]","((4-Fluorophenyl)ethynyl)(methyl)(1,5-cyclooctadiene)platinum(II)","","- C17 H22 F Pt -","- C17 H19 F Pt -","- C68 H76 F4 Pt4 -","4","0.5","","Lüning, Anna; Schur, Julia; Hamel, Laura; Ott, Ingo; Klein, Axel","Strong Cytotoxicity of Organometallic Platinum Complexes with Alkynyl Ligands","Organometallics","2013","32","13","3662","","10.1021/om400293u","","","0.71073","MoKα","","0.0545","0.0331","","","0.0604","0.0642","","","","","","1.08","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4081036","23.699","0.003","10.6026","0.0013","11.8624","0.0015","90","","90","","90","","2980.7","0.6","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C28 H31 B Cl N4 O Rh -","- C28 H31 B Cl N4 O Rh -","- C112 H124 B4 Cl4 N16 O4 Rh4 -","4","0.5","","Pettinari, Riccardo; Pettinari, Claudio; Marchetti, Fabio; Monari, Magda; Mosconi, Edoardo; De Angelis, Filippo","Boron Functionalization and Unusual B‒C Bond Activation in Rhodium(III) and Iridium(III) Complexes with Diphenylbis(pyrazolylborate) Ligands (Ph2Bp)","Organometallics","2013","32","14","3895","","10.1021/om400375j","","","0.71073","MoKα","","0.1239","0.053","","","0.1327","0.1734","","","","","","0.95","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4081094","16.7219","0.0004","22.9332","0.0004","10.4881","0.0002","90","","90","","90","","4022.05","0.14","173","2","173","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","","","","- C42 H61 N2 Sb Si -","- C42 H61 N2 Sb Si -","- C168 H244 N8 Sb4 Si4 -","4","0.5","","Day, Benjamin M.; Coles, Martyn P.","Assigning Hapticity to Cyclopentadienyl Derivatives of Antimony and Bismuth","Organometallics","2013","32","15","4270","","10.1021/om400434f","","x-ray","0.71073","MoKα","","0.0396","0.0288","","","0.0626","0.0666","","","","","","1.016","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081328","20.1307","0.0008","13.6814","0.0005","8.1695","0.0003","90","","90","","90","","2250.01","0.15","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H35 B4 Ir Zr -","- C20 H35 B4 Ir Zr -","- C80 H140 B16 Ir4 Zr4 -","4","0.5","","Anju, R. S.; Roy, Dipak Kumar; Mondal, Bijan; Ramkumar, V.; Ghosh, Sundargopal","An Early‒Late Transition Metal Hybrid Analogue of Hexaborane(12)","Organometallics","2013","32","16","4618","","10.1021/om400594d","","","0.71073","MoKα","","0.0255","0.0195","","","0.0431","0.0463","","","","","","1.033","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081430","14.166","0.006","15.512","0.006","9.989","0.004","90","","90","","90","","2195","1.5","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H39 Cl2 N Ni P2 -","- C17 H39 Cl2 N Ni P2 -","- C68 H156 Cl8 N4 Ni4 P8 -","4","0.5","","Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H.","Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole","Organometallics","2013","32","18","5153","","10.1021/om400711d","","x-ray","0.71073","MoKα","","0.0317","0.0266","","","0.0685","0.073","","","","","","1.1","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081923","9.6362","0.0019","10.862","0.002","15.977","0.003","90","","90","","90","","1672.3","0.5","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H18 Cl F5 Ni P2 -","- C9 H18 Cl F5 Ni P2 -","- C36 H72 Cl4 F20 Ni4 P8 -","4","0.5","","Xu, Wengang; Sun, Hongjian; Xiong, Zichang; Li, Xiaoyan","Acid-Promoted Selective Carbon‒Fluorine Bond Activation and Functionalization of Hexafluoropropene by Nickel Complexes Supported with Phosphine Ligands","Organometallics","2013","32","23","7122","","10.1021/om400782v","","","0.71073","MoKα","","0.0929","0.0679","","","0.1845","0.2036","","","","","","1.075","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081924","9.3729","0.0019","10.857","0.002","16.181","0.003","90","","90","","90","","1646.6","0.5","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H18 Br F5 Ni P2 -","- C9 H18 Br F5 Ni P2 -","- C36 H72 Br4 F20 Ni4 P8 -","4","0.5","","Xu, Wengang; Sun, Hongjian; Xiong, Zichang; Li, Xiaoyan","Acid-Promoted Selective Carbon‒Fluorine Bond Activation and Functionalization of Hexafluoropropene by Nickel Complexes Supported with Phosphine Ligands","Organometallics","2013","32","23","7122","","10.1021/om400782v","","","0.71073","MoKα","","0.0805","0.0554","","","0.1305","0.1457","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081967","19.302","0.005","11.162","0.003","11.311","0.003","90","","90","","90","","2436.9","1.1","113","2","113","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C27 H37 B N2 -","- C27 H37 B N2 -","- C108 H148 B4 N8 -","4","0.5","","Xie, Liang; Zhang, Jianying; Hu, Hongfan; Cui, Chunming","Synthesis and Reactions of π-Conjugated Iminoboranes Stabilized by Intramolecular Imine Groups","Organometallics","2013","32","23","6875","","10.1021/om4008407","","","0.71073","MoKα","","0.0518","0.0456","","","0.1167","0.1213","","","","","","1.095","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4082071","16.3728","0.0019","18.367","0.003","9.326","0.011","90","","90","","90","","2805","3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H14 I2 O6 Ru2 S2 -","- C20 H14 I2 O6 Ru2 S2 -","- C80 H56 I8 O24 Ru8 S8 -","4","0.5","","Nagarajaprakash, R.; Ramakrishna, Buthanapalli; Mahesh, K.; Mobin, Shaikh M.; Manimaran, Bala.","One-Pot Synthesis of Ruthenium Metallacycles via Oxidative Addition of Diaryldichalcogen and Halogen across a Ru‒Ru Bond","Organometallics","2013","32","24","7292","","10.1021/om400686q","","","0.71073","MoKα","","0.0599","0.0489","","","0.1334","0.1379","","","","","","1.102","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082074","15.949","0.0004","18.4754","0.0006","8.9862","0.0002","90","","90","","90","","2647.91","0.12","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H14 Br2 O6 Ru2 Se2 -","- C20 H14 Br2 O6 Ru2 Se2 -","- C80 H56 Br8 O24 Ru8 Se8 -","4","0.5","","Nagarajaprakash, R.; Ramakrishna, Buthanapalli; Mahesh, K.; Mobin, Shaikh M.; Manimaran, Bala.","One-Pot Synthesis of Ruthenium Metallacycles via Oxidative Addition of Diaryldichalcogen and Halogen across a Ru‒Ru Bond","Organometallics","2013","32","24","7292","","10.1021/om400686q","","","0.71073","MoKα","","0.0217","0.0165","","","0.038","0.0387","","","","","","0.998","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082132","11.4346","0.0017","19.023","0.003","15.856","0.002","90","","90","","90","","3449","0.9","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H53 B11 Na2 O4 Si -","- C22 H53 B11 Na2 O4 Si -","- C88 H212 B44 Na8 O16 Si4 -","4","0.5","","Zhang, Jian; Zheng, Fangrui; Xie, Zuowei","Synthesis and Characterization of 14-Vertex Carboranes","Organometallics","2013","32","24","7399","","10.1021/om4009235","","","0.71073","MoKα","","0.1597","0.0754","","","0.2038","0.2598","","","","","","1.03","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082331","17.3894","0.0005","51.5072","0.0016","10.9303","0.0003","90","","90","","90","","9790","0.5","100","1","100","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C28 H38 B Cl4 F4 Ga N2 -","- C28 H38 B Cl4 F4 Ga N2 -","- C336 H456 B12 Cl48 F48 Ga12 N24 -","12","1.5","","Bour, Christophe; Monot, Julien; Tang, Shun; Guillot, Régis; Farjon, Jonathan; Gandon, Vincent","Structure, Stability, and Catalytic Activity of Fluorine-Bridged Complexes IPr·GaCl2(μ-F)EFn‒1(EFn‒= SbF6‒, PF6‒, or BF4‒)","Organometallics","2014","33","2","594","","10.1021/om4012054","","x-ray","0.71073","MoKα","","0.0703","0.0554","","","0.1172","0.1232","","","","","","1.107","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082419","16.0226","0.001","21.7926","0.0011","8.8475","0.0006","90","","90","","90","","3089.3","0.3","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H31 Co Fe O P2 S2 -","- C34 H31 Co Fe O P2 S2 -","- C136 H124 Co4 Fe4 O4 P8 S8 -","4","0.5","","Carroll, Maria E.; Chen, Jinzhu; Gray, Danielle E.; Lansing, James C.; Rauchfuss, Thomas B.; Schilter, David; Volkers, Phillip I.; Wilson, Scott R.","Ferrous Carbonyl Dithiolates as Precursors to FeFe, FeCo, and FeMn Carbonyl Dithiolates.","Organometallics","2014","33","4","858","867","10.1021/om400752a","","","0.71073","MoKα","","0.0471","0.0352","","","0.0862","0.0904","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082507","11.423","0.002","13.078","0.003","8.8164","0.0018","90","","90","","90","","1317.1","0.5","173","2","173","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","Compound 3","(2,4-dimethyl-ε^5 ^-pentadienyl)dicarbonyltrimethyl phosphinemanganese","","- C12 H20 Mn O2 P -","- C12 H20 Mn O2 P -","- C48 H80 Mn4 O8 P4 -","4","0.5","","de la Cruz Cruz, José Ignacio; Juárez-Saavedra, Patricia; Paz-Michel, Brenda; Leyva-Ramirez, Marco Antonio; Rajapakshe, Asha; Vannucci, Aaron K.; Lichtenberger, Dennis L.; Paz-Sandoval, M. Angeles","Phosphine-Substituted (η5-Pentadienyl) Manganese Carbonyl Complexes: Geometric Structures, Electronic Structures, and Energetic Properties of the Associative Substitution Mechanism, Including Isolation of the Slipped η3-Pentadienyl Associative Intermediate","Organometallics","2014","33","1","278","","10.1021/om401017t","","x-ray","0.71073","MoKα","","0.0406","0.033","","","0.0793","0.0829","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082605","15.7152","0.0003","19.7722","0.0004","20.2242","0.0004","90","","90","","90","","6284.1","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C51 H39 N12 O9 Re3 -","- C51 H39 N12 O9 Re3 -","- C204 H156 N48 O36 Re12 -","4","0.5","","Lin, Shih-Ming; Velayudham, Murugesan; Tsai, Chi-Hwe; Chang, Che-Hao; Lee, Chung-Chou; Luo, Tzuoo-Tsair; Thanasekaran, Pounraj; Lu, Kuang-Lieh","A Molecular Triangle as a Precursor Toward the Assembly of a Jar-Shaped Metallasupramolecule","Organometallics","2014","33","1","40","","10.1021/om4005065","","","0.71073","MoKα","","0.1211","0.0625","","","0.1996","0.2349","","","","","","0.993","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082624","12.0336","0.0006","13.7908","0.0007","13.9354","0.0007","90","","90","","90","","2312.6","0.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H24 O4 Ru2 Si2 -","- C20 H24 O4 Ru2 Si2 -","- C80 H96 O16 Ru8 Si8 -","4","0.5","","Zhu, Bolin; Hao, Xiaoting; Chen, Yunfei","Intramolecular C‒H Bond Activation in Bridged Dicyclopentadienyl Dimethyl Dinuclear Complexes","Organometallics","2014","33","1","240","","10.1021/om400986a","","","0.71073","MoKα","","0.028","0.0231","","","0.061","0.0642","","","","","","1.021","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082625","11.9746","0.0017","13.808","0.002","13.4857","0.0019","90","","90","","90","","2229.8","0.6","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H24 Fe2 O4 Si2 -","- C20 H24 Fe2 O4 Si2 -","- C80 H96 Fe8 O16 Si8 -","4","0.5","","Zhu, Bolin; Hao, Xiaoting; Chen, Yunfei","Intramolecular C‒H Bond Activation in Bridged Dicyclopentadienyl Dimethyl Dinuclear Complexes","Organometallics","2014","33","1","240","","10.1021/om400986a","","","0.71073","MoKα","","0.0491","0.0319","","","0.0767","0.0843","","","","","","1.057","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082684","12.0131","0.0006","17.7315","0.0009","19.4496","0.0014","90","","90","","90","","4143","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H70 B4 Li4 O7 -","- C34 H70 B4 Li4 O7 -","- C136 H280 B16 Li16 O28 -","4","0.5","","Seven, Ömer; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","High-Yield Syntheses and Reactivity Studies of 1,2-Diborylated and 1,2,4,5-Tetraborylated Benzenes","Organometallics","2014","33","5","1291","","10.1021/om500104w","","","0.71073","MoKα","","0.1399","0.1157","","","0.2975","0.3176","","","","","","1.118","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082719","23.939","0.007","17.775","0.005","8.513","0.002","90","","90","","90","","3622.4","1.7","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H30 Fe3 O5 P2 S4 -","- C35 H30 Fe3 O5 P2 S4 -","- C140 H120 Fe12 O20 P8 S16 -","4","0.5","","Rahaman, Ahibur; Ghosh, Shishir; Unwin, David G.; Basak-Modi, Sucharita; Holt, Katherine B.; Kabir, Shariff E.; Nordlander, Ebbe; Richmond, Michael G.; Hogarth, Graeme","Bioinspired Hydrogenase Models: The Mixed-Valence Triiron Complex [Fe3(CO)7(μ-edt)2] and Phosphine Derivatives [Fe3(CO)7-x (PPh3) x (μ-edt)2] (x = 1, 2) and [Fe3(CO)5(κ(2)-diphosphine)(μ-edt)2] as Proton Reduction Catalysts.","Organometallics","2014","33","6","1356","1366","10.1021/om400691q","","","0.71073","MoKα","","0.0661","0.0396","","","0.0854","0.0903","","","","","","0.906","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082740","20.399","0.002","12.4011","0.0012","10.1447","0.001","90","","90","","90","","2566.3","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H33 Er N2 Si2 -","- C23 H31 Er N2 Si2 -","- C92 H124 Er4 N8 Si8 -","4","0.5","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0392","0.0343","","","0.0817","0.0847","","","","","","1.089","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082741","20.4112","0.0009","12.4005","0.0005","10.1533","0.0004","90","","90","","90","","2569.89","0.18","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H33 N2 Si2 Yb -","- C23 H31 N2 Si2 Yb -","- C92 H124 N8 Si8 Yb4 -","4","0.5","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0301","0.0228","","","0.0533","0.0562","","","","","","1.063","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082876","10.4586","0.0003","14.3806","0.0004","10.5502","0.0005","90","","90","","90","","1586.76","0.1","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H17 Cl F2 N2 Pt -","- C17 H17 Cl F2 N2 Pt -","- C68 H68 Cl4 F8 N8 Pt4 -","4","0.5","","Escolà, Anna; Crespo, Margarita; Quirante, Josefina; Cortés, Roldán; Jayaraman, Anusha; Badía, Josefa; Baldomà, Laura; Calvet, Teresa; Font-Bardía, Mercè; Cascante, Marta","Exploring the Scope of [Pt2(4-FC6H4)4(μ-SEt2)2] as a Precursor for New Organometallic Platinum(II) and Platinum(IV) Antitumor Agents","Organometallics","2014","33","7","1740","","10.1021/om5000908","","","0.71073","MoKα","","0.053","0.0425","","","0.1659","0.1716","","","","","","1.091","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082894","23.146","0.005","7.8797","0.0016","12.974","0.003","90","","90","","90","","2366.2","0.9","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H30 Cu F6 N2 Sb -","- C18 H30 Cu F5.9988 N2 Sb0.9998 -","- C72 H120 Cu4 F23.9952 N8 Sb3.9992 -","4","0.5","","Das, Animesh; Dash, Chandrakanta; Yousufuddin, Muhammed; Dias, H. V. Rasika","Coordination and Ligand Substitution Chemistry of Bis(cyclooctyne)copper(I)","Organometallics","2014","33","7","1644","","10.1021/om4012032","","","0.71073","MoKα","","0.0624","0.0554","","","0.1261","0.1286","","","","","","1.248","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082989","15.511","0.003","22.772","0.005","8.036","0.002","90","","90","","90","","2838.4","1.1","93","","93","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H40 Au Cl N2 O2 -","- C29 H40 Au Cl N2 O2 -","- C116 H160 Au4 Cl4 N8 O8 -","4","0.5","","Nelson, David J.; Collado, Alba; Manzini, Simone; Meiries, Sebastien; Slawin, Alexandra M. Z.; Cordes, David B.; Nolan, Steven P.","Methoxy-FunctionalizedN-Heterocyclic Carbenes","Organometallics","2014","33","8","2048","","10.1021/om5001919","","","0.71075","MoKα","","","0.0324","","","","0.0554","","","","","","1.027","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082990","15.436","0.004","22.566","0.005","8.2324","0.0015","90","","90","","90","","2867.6","1.1","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H42 Au Cl N2 O2 -","- C29 H42 Au Cl N2 O2 -","- C116 H168 Au4 Cl4 N8 O8 -","4","0.5","","Nelson, David J.; Collado, Alba; Manzini, Simone; Meiries, Sebastien; Slawin, Alexandra M. Z.; Cordes, David B.; Nolan, Steven P.","Methoxy-FunctionalizedN-Heterocyclic Carbenes","Organometallics","2014","33","8","2048","","10.1021/om5001919","","","0.71075","MoKα","","","0.0292","","","","0.068","","","","","","0.749","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4083229","11.8988","0.0015","26.95","0.003","6.3029","0.0008","90","","90","","90","","2021.2","0.4","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C19 H21 B0 Co N4 O4 S2 -","- C19 H19 Co N4 O4 S2 -","- C76 H76 Co4 N16 O16 S8 -","4","0.5","","Zhong, Wei; Yang, Qiwu; Shang, Yi; Liu, Guifeng; Zhao, Haitao; Li, Yizhi; Yan, Hong","Synthesis and Reactivity of the Imido-Bridged Metallothiocarboranes CpCo(S2C2B10H10)(NSO2R)","Organometallics","2012","31","18","6658","","10.1021/om300735d","","","0.71073","MoKα","","0.055","0.0386","","","0.0855","0.0895","","","","","","1.013","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083368","28.3175","0.0013","11.8369","0.0006","12.9987","0.0006","90","","90","","90","","4357.1","0.4","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H18 Al B Cl6 Fe N -","- C14 H18 Al B Cl6 Fe N -","- C112 H144 Al8 B8 Cl48 Fe8 N8 -","8","1","","Bentivegna, BriAnne; Mariani, Christine I.; Smith, Jason R.; Ma, Shuhua; Rheingold, Arnold L.; Brunker, Tim J.","Formation, Stability, and Structures of Borenium and Boronium Cations Derived from Pentamethylazaferrocene‒Boranes by Hydride or Chloride Abstraction Reactions","Organometallics","2014","33","11","2820","","10.1021/om500348u","","","0.71073","MoKα","","0.066","0.0549","","","0.1507","0.1601","","","","","","1.042","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083377","19.9168","0.0013","22.3973","0.0015","10.2833","0.0007","90","","90","","90","","4587.2","0.5","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C53 H40 Mn2 O5 P2 Se2 -","- C53 H40 Mn2 O5 P2 Se2 -","- C212 H160 Mn8 O20 P8 Se8 -","4","0.5","","Reyes-Lezama, Marisol; Höpfl, Herbert; Zúñiga-Villarreal, Noé","Tricarbonyl[(1−5-η)-pentadienyl]manganese: A Source of Benzeneselenolatomanganese Derivatives of Diverse Nuclearity","Organometallics","2010","29","7","1537","","10.1021/om1000698","","","0.71073","MoKα","","0.03","0.0271","","","0.0648","0.066","","","","","","1.074","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083533","12.6396","0.0007","11.967","0.0007","9.9335","0.0006","90","","90","","90","","1502.52","0.15","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H24 B O P -","- C14 H24 B O P -","- C56 H96 B4 O4 P4 -","4","0.5","","Breunig, Jens Michael; Lehmann, Felix; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and Reactivity ofo-Phosphane Oxide Substituted Aryl(hydro)borates and Aryl(hydro)boranes","Organometallics","2014","33","12","3163","","10.1021/om500385h","","","0.71073","MoKα","","0.0566","0.0523","","","0.1297","0.1326","","","","","","1.149","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083611","11.5041","0.0002","30.928","0.0006","9.1454","0.0002","90","","90","","90","","3253.92","0.11","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C32 H48 Al Cl N2 O2 -","- C32 H48 Al Cl N2 O2 -","- C128 H192 Al4 Cl4 N8 O8 -","4","0.5","","Romain, Charles; Fliedel, Christophe; Bellemin-Laponnaz, Stéphane; Dagorne, Samuel","NHC Bis-Phenolate Aluminum Chelates: Synthesis, Structure, and Use in Lactide and Trimethylene Carbonate Polymerization","Organometallics","2014","33","20","5730","","10.1021/om5004557","","","0.71073","MoKα","","0.0743","0.0485","","","0.1275","0.1406","","","","","","1.053","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083752","17.3463","0.0007","14.9955","0.0006","9.0807","0.0004","90","","90","","90","","2362.04","0.17","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","cmpd3","cmpd3","","- C22 H41 Mo N3 -","- C22 H41 Mo N3 -","- C88 H164 Mo4 N12 -","4","0.5","","Yonke, Brendan L.; Reeds, Jonathan P.; Fontaine, Philip P.; Zavalij, Peter Y.; Sita, Lawrence R.","Catalytic Production of Isocyanates via Orthogonal Atom and Group Transfers Employing a Shared Formal Group 6 M(II)/M(IV) Redox Cycle","Organometallics","2014","","","140626135101001","","10.1021/om500532s","","","0.71073","MoKα","","0.0191","0.0176","","","0.0392","0.0398","","","","","","1","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083753","17.3012","0.0015","14.9156","0.0013","9.1426","0.0008","90","","90","","90","","2359.3","0.4","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","cmpd4","cmpd4","","- C22 H41 N3 W -","- C22 H41 N3 W -","- C88 H164 N12 W4 -","4","0.5","","Yonke, Brendan L.; Reeds, Jonathan P.; Fontaine, Philip P.; Zavalij, Peter Y.; Sita, Lawrence R.","Catalytic Production of Isocyanates via Orthogonal Atom and Group Transfers Employing a Shared Formal Group 6 M(II)/M(IV) Redox Cycle","Organometallics","2014","","","140626135101001","","10.1021/om500532s","","","0.71073","MoKα","","0.0228","0.0192","","","0.0418","0.0429","","","","","","1","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083774","15.9143","0.0005","14.3062","0.0004","11.8334","0.0004","90","","90","","90","","2694.15","0.15","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H42 B Fe N5 Si2 -","- C20 H42 B Fe N5 Si2 -","- C80 H168 B4 Fe4 N20 Si8 -","4","0.5","","Lee, Wei-Tsung; Jeon, Ie-Rang; Xu, Song; Dickie, Diane A.; Smith, Jeremy M.","Low-Coordinate Iron(II) Complexes of a Bulky Bis(carbene)borate Ligand","Organometallics","2014","33","20","5654","","10.1021/om500417y","","","0.71073","MoKα","","0.0534","0.0363","","","0.0901","0.1005","","","","","","1.031","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4083807","22.1033","0.0004","21.9063","0.0003","12.9826","0.0002","90","","90","","90","","6286.19","0.17","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C26 H22 F6 N4 O10.5 Pt2 S2 -","- C26 H22 F6 N4 O10.5 Pt2 S2 -","- C208 H176 F48 N32 O84 Pt16 S16 -","8","1","","Zhang, Fenbao; Prokopchuk, Ernest M.; Broczkowski, Michael E.; Jennings, Michael C.; Puddephatt, Richard J.","Hydridodimethylplatinum(IV) Complexes with Bis(pyridine) Ligands: Effect of Chelate Ring Size on Reactivity","Organometallics","2006","25","7","1583","","10.1021/om050982m","","","0.71073","MoKα","","0.0776","0.0485","","","0.1147","0.1265","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083808","15.7153","0.0008","12.44","0.0005","8.7904","0.0004","90","","90","","90","","1718.51","0.14","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H17 Cl3 N2 O Pt -","- C15 H17 Cl3 N2 O Pt -","- C60 H68 Cl12 N8 O4 Pt4 -","4","0.5","","Zhang, Fenbao; Prokopchuk, Ernest M.; Broczkowski, Michael E.; Jennings, Michael C.; Puddephatt, Richard J.","Hydridodimethylplatinum(IV) Complexes with Bis(pyridine) Ligands: Effect of Chelate Ring Size on Reactivity","Organometallics","2006","25","7","1583","","10.1021/om050982m","","","0.71073","MoKα","","0.0757","0.0473","","","0.1105","0.1215","","","","","","1.043","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4083829","9.652","0.001","12.3096","0.0012","12.1615","0.0012","90","","90","","90","","1444.9","0.3","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H23 Cr N O -","- C15 H23 Cr N O -","- C60 H92 Cr4 N4 O4 -","4","0.5","","Norman, David W.; Ferguson, Michael J.; McDonald, Robert; Stryker, Jeffrey M.","s-trans-Diene Complexes of a First-Row Transition Metal. Half-Sandwichs-trans-η4-1,3-Diene Nitrosyl Complexes of Chromium","Organometallics","2006","25","11","2705","","10.1021/om050847+","","","0.71073","MoKα","","0.0455","0.0418","","","0.1177","0.1212","","","","","","1.158","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4084090","9.3805","0.0015","12.897","0.002","13.438","0.002","90","","90","","90","","1625.7","0.4","294","2","294","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H19 B9 Co N S2 -","- C8 H19 B9 Co N S2 -","- C32 H76 B36 Co4 N4 S8 -","4","0.5","","Llop, Jordi; Viñas, Clara; Teixidor, Francesc; Victori, Lluís; Kivekäs, Raikko; Sillanpää, Reijo","C−C Plasticity in Boron Chemistry: Modulation of the Cc···CcDistance in Mixed Pyrrolyl/Dicarbollide Complexes†","Organometallics","2001","20","19","4024","","10.1021/om010511+","","","0.71069","MoKα","","0.054","0.0344","","","0.0758","0.0823","","","","","","1.035","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084217","14.3623","0.0009","11.9116","0.0008","17.6194","0.0011","90","","90","","90","","3014.3","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","MWJ-V-158","","","- C27 H29 Au Cl5 N3 O2 -","- C27 H29 Au Cl5 N3 O2 -","- C108 H116 Au4 Cl20 N12 O8 -","4","0.5","","Johnson, Miles W.; DiPasquale, Antonio G.; Bergman, Robert G.; Toste, F. Dean","Synthesis of Stable Gold(III) Pincer Complexes with Anionic Heteroatom Donors.","Organometallics","2014","33","16","4169","4172","10.1021/om500663m","","","0.71073","MoKα","","0.0313","0.0295","","","0.0666","0.0677","","","","","","1.064","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084285","13.5406","0.0003","13.1399","0.0009","8.8638","0.0002","90","","90","","90","","1577.07","0.12","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H20 Ir N O2 -","- C17 H20 Ir N O2 -","- C68 H80 Ir4 N4 O8 -","4","0.5","","Chen, Jeffrey; Campos, Jesús; Mercado, Brandon Q.; Crabtree, Robert H.; Balcells, David","Distortional Effects of Noncovalent Interactions in the Crystal Lattice of a Cp*Ir(III) Acylhydroxamic Acid Complex: A Joint Experimental‒Computational Study","Organometallics","2014","33","17","4417","","10.1021/om500625c","","","0.71073","MoKα","","0.0307","0.0293","","","0.0712","0.0719","","","","","","1.256","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084514","22.9924","0.0014","14.3047","0.0009","11.9202","0.0007","90","","90","","90","","3920.5","0.4","173","1","173","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H42 Cl7 Ir O P2 -","- C35 H42 Cl7 Ir O P2 -","- C140 H168 Cl28 Ir4 O4 P8 -","4","0.5","","Silantyev, Gleb A.; Filippov, Oleg A.; Musa, Sanaa; Gelman, Dmitri; Belkova, Natalia V.; Weisz, Klaus; Epstein, Lina M.; Shubina, Elena S.","Conformational Flexibility of Dibenzobarrelene-Based PC(sp3)P Pincer Iridium Hydride Complexes: The Role of Hemilabile Functional Groups and External Coordinating Solvents","Organometallics","2014","33","21","5964","","10.1021/om500308g","","","0.71073","MoKα","","0.0325","0.0288","","","0.0662","0.0679","","","","","","1.042","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084788","8.702","0.0003","16.1159","0.0006","14.0281","0.0005","90","","90","","90","","1967.31","0.12","183","2","183","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H27 Ir N2 O5 -","- C20 H27 Ir N2 O5 -","- C80 H108 Ir4 N8 O20 -","4","0.5","","Suna, Yuki; Ertem, Mehmed Z.; Wang, Wan-Hui; Kambayashi, Hide; Manaka, Yuichi; Muckerman, James T.; Fujita, Etsuko; Himeda, Yuichiro","Positional Effects of Hydroxy Groups on Catalytic Activity of Proton-Responsive Half-Sandwich Cp*Iridium(III) Complexes","Organometallics","2014","33","22","6519","","10.1021/om500832d","","","0.71073","MoKα","","0.04","0.0389","","","0.0983","0.0998","","","","","","0.704","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4084848","14.2","0.0004","11.2801","0.0006","17.5587","0.0007","90","","90","","90","","2812.5","0.2","100","","100","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C23 H39 B F4 Fe N4 O P2 -","- C23 H39 B F4 Fe N4 O P2 -","- C92 H156 B4 F16 Fe4 N16 O4 P8 -","4","0.5","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Efficient Hydrogenation of Ketones and Aldehydes Catalyzed by Well-Defined Iron(II) PNP Pincer Complexes: Evidence for an Insertion Mechanism","Organometallics","2014","33","23","6905","","10.1021/om5009814","","x-ray","0.71073","MoKα","","0.0339","0.0266","","","0.0367","0.0374","","","","2.3","2.3","2.16","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084862","18.8451","0.0003","14.963","0.0002","16.4293","0.0003","90","","90","","90","","4632.72","0.13","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C46 H42 B Cl2 F4 I N2 P2 Pd -","- C46 H42 B Cl2 F4 I N2 P2 Pd -","- C184 H168 B4 Cl8 F16 I4 N8 P8 Pd4 -","4","0.5","","Das, Rajorshi; Hepp, Alexander; Daniliuc, Constantin G.; Hahn, F. Ekkehardt","Synthesis of Complexes with Protic NH,NH-NHC Ligands via Oxidative Addition of 2-Halogenoazoles to Zero-Valent Transition Metals","Organometallics","2014","33","23","6975","","10.1021/om501120u","","","0.71073","MoKα","","0.0415","0.0361","","","0.094","0.0992","","","","","","1.061","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084863","18.793","0.0002","14.9433","0.0002","16.3633","0.0002","90","","90","","90","","4595.3","0.1","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C46 H42 B Cl2 F4 I N2 P2 Pt -","- C46 H42 B Cl2 F4 I N2 P2 Pt -","- C184 H168 B4 Cl8 F16 I4 N8 P8 Pt4 -","4","0.5","","Das, Rajorshi; Hepp, Alexander; Daniliuc, Constantin G.; Hahn, F. Ekkehardt","Synthesis of Complexes with Protic NH,NH-NHC Ligands via Oxidative Addition of 2-Halogenoazoles to Zero-Valent Transition Metals","Organometallics","2014","33","23","6975","","10.1021/om501120u","","","0.71073","MoKα","","0.0395","0.0351","","","0.0914","0.0955","","","","","","1.057","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084992","5.83673","0.00013","13.6727","0.0004","12.0331","0.0004","90","","90","","90","","960.29","0.05","183","2","183","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H9 Na O4 -","- C9 H9 Na O4 -","- C36 H36 Na4 O16 -","4","0.5","","Ursillo, Samer; Can, Daniel; N’Dongo, Harmel W. Peindy; Schmutz, Paul; Spingler, Bernhard; Alberto, Roger","Cyclopentadienyl Chemistry in Water: Synthesis and Properties of Bifunctionalized [(η5-C5H3{COOR}2)M(CO)3] (M = Re and99mTc) Complexes","Organometallics","2014","33","23","6945","","10.1021/om501029e","","","0.7107","MoKα","","0.0457","0.0355","","","0.1002","0.104","","","","","","1.067","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4085044","14.707","0.0003","16.7439","0.0004","15.6675","0.0003","90","","90","","90","","3858.16","0.14","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H55 Al Cl N2 Rh -","- C40 H55 Al Cl N2 Rh -","- C160 H220 Al4 Cl4 N8 Rh4 -","4","0.5","","Ekkert, Olga; Strudley, Sebastian D. A.; Rozenfeld, Alisa; White, Andrew J. P.; Crimmin, Mark R.","Rhodium Catalyzed, Carbon‒Hydrogen Bond Directed Hydrodefluorination of Fluoroarenes","Organometallics","2014","33","24","7027","","10.1021/om501113j","","","0.71073","MoKα","","0.0498","0.037","","","0.0885","0.0982","","","","","","1.079","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085055","40.5049","0.0018","22.3842","0.001","10.7094","0.0005","90","","90","","90","","9709.9","0.8","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36.44 H75.56 B2.67 Cl0.89 N0.89 O0.89 Zr2.67 -","- C36.4444 H76 B2.66667 Cl0.888889 N0.888889 O0.888889 Zr2.66667 -","- C328 H684 B24 Cl8 N8 O8 Zr24 -","9","1.125","","Liu, Fu-Chen; Chen, Heng-Guang; Lee, Gene-Hsiang","Trinuclear Zirconium Polyhydride ({Cp*Zr(BH3CH3)}(μ-H)2{Cp*Zr(BH3CH3)}(μ-H){Cp*Zr(BH3CH3)})(μ-κ2C,H:κ1C:κ2C,H-CHBH3) and Its Derivatives: Compounds Containing a Pentacoordinated Carbon Atom","Organometallics","2015","34","1","42","","10.1021/om500773e","","","0.71073","MoKα","","0.099","0.0748","","","0.1532","0.1631","","","","","","1.13","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085242","34.91","0.003","11.8488","0.0012","13.3316","0.0013","90","","90","","90","","5514.5","0.9","166","2","166","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C42 H78 B22 Fe2 Hg N2 -","- C42 H79 B22 Fe2 Hg N2 -","- C168 H316 B88 Fe8 Hg4 N8 -","4","0.5","","Himmelspach, Alexander; Warneke, Jonas; Schäfer, Marius; Hailmann, Michael; Finze, Maik","Salts of the Dianions [Hg(12-X-closo-1-CB11H10)2]2‒(X = I, C≡CH, C≡CFc, C≡CSiiPr3): Synthesis and Spectroscopic and Structural Characterization","Organometallics","2015","34","2","462","","10.1021/om5009956","","","0.71073","MoKα","","0.0922","0.0692","","","0.119","0.1278","","","","","","1.093","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085334","15.8914","0.0002","14.387","0.0002","14.8324","0.0002","90","","90","","90","","3391.13","0.08","123","1","123","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C43 H47 Fe P -","- C43 H47 Fe P -","- C172 H188 Fe4 P4 -","4","0.5","","Rezaei Rad, Babak; Chakraborty, Uttam; Mühldorf, Bernd; Sklorz, Julian A. W.; Bodensteiner, Michael; Müller, Christian; Wolf, Robert","Synthesis, Structure, and Reactivity of Pentamethylcyclopentadienyl 2,4,6-Triphenylphosphinine Iron Complexes","Organometallics","2015","34","3","622","","10.1021/om501161y","","","1.54178","CuKα","","0.0927","0.0827","","","0.2229","0.233","","","","","","1.019","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085395","11.4626","0.0006","14.2987","0.0008","14.8866","0.0009","90","","90","","90","","2439.9","0.2","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","3 in manuscript","","","- C19 H32 F6 Li N4 O P -","- C19 H32 F6 Li N4 O P -","- C76 H128 F24 Li4 N16 O4 P4 -","4","0.5","","Brendel, Matthias; Wenz, Jan; Shishkov, Igor V.; Rominger, Frank; Hofmann, Peter","Lithium Complexes of Neutral Bis-NHC Ligands","Organometallics","2015","34","3","669","","10.1021/om501229b","","","0.71073","MoKα","","0.1096","0.0835","","","0.1465","0.1543","","","","","","1.212","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085439","7.6818","0.0003","15.2296","0.0006","18.2806","0.0007","90","","90","","90","","2138.66","0.14","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H27 O P Zr -","- C25 H27 O P Zr -","- C100 H108 O4 P4 Zr4 -","4","0.5","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Frustrated Lewis Pair Behavior of [Cp2ZrOCR2CH2PPh2]+Cations","Organometallics","2015","34","11","2655","","10.1021/om501312a","","","0.71073","MoKα","","0.0433","0.0413","","","0.0908","0.0925","","","","","","1.157","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085447","18.084","0.004","16.927","0.003","16.852","0.003","90","","90","","90","","5158.5","1.7","240","2","240","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Moris-118 (Eyal)","","","- C55 H48 B3 O15 Sm -","- C55 H48 B3 O15 Sm -","- C220 H192 B12 O60 Sm4 -","4","0.5","","Das, Raj K.; Barnea, Eyal; Andrea, Tamer; Kapon, Moshe; Fridman, Natalia; Botoshansky, Mark; Eisen, Moris S.","Group 4 Lanthanide and Actinide Organometallic Inclusion Complexes","Organometallics","2015","34","4","742","","10.1021/om501103v","","","0.71073","MoKα","","0.0597","0.0383","","","0.0794","0.0843","","","","","","1.058","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085569","20.145","0.002","18.337","0.002","16.97","0.002","90","","90","","90","","6268.7","1.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C49.5 H91 Cl5 Os P2 Si2 -","- C49.5 H91.04 Cl5.01 Os P2 Si2 -","- C198 H364.16 Cl20.04 Os4 P8 Si8 -","4","0.5","","Chen, Jiangxi; Lee, Ka-Ho; Wen, Tingbin; Gao, Feng; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Rearrangement of Metallabenzynes to Chlorocyclopentadienyl Complexes","Organometallics","2015","34","5","890","","10.1021/om501181u","","","0.71073","MoKα","","0.0447","0.0298","","","0.0768","0.0809","","","","","","1.005","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085657","16.2236","0.0002","20.5353","0.0002","9.938","0.0001","90","","90","","90","","3310.91","0.06","173","2","173","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","","","","- C36 H48 N2 Pb -","- C36 H48 N2 Pb -","- C144 H192 N8 Pb4 -","4","0.5","","Taylor, Morgan J.; Coakley, Emma J.; Coles, Martyn P.; Cox, Hazel; Fulton, J. Robin","β-Diketiminato Organolead Complexes: Structures,207Pb NMR, and Hammett Correlations","Organometallics","2015","34","11","2515","","10.1021/om501223a","","x-ray","0.71073","MoKα","","0.0309","0.0262","","","0.0619","0.0639","","","","","","1.122","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085897","11.351","0.002","16.151","0.003","11.594","0.002","90","","90","","90","","2125.5","0.7","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","2c in manuscript","","","- C19 H34 N4 O Pt -","- C19 H34 N4 O Pt -","- C76 H136 N16 O4 Pt4 -","4","0.5","","Brendel, Matthias; Engelke, René; Desai, Vidya G.; Rominger, Frank; Hofmann, Peter","Synthesis and Reactivity of Platinum(II)cis-Dialkyl,cis-Alkyl Chloro, andcis-Alkyl Hydrido Bis-N-heterocyclic Carbene Chelate Complexes","Organometallics","2015","34","12","2870","","10.1021/acs.organomet.5b00204","","","0.71073","MoKα","","0.0412","0.0334","","","0.0952","0.1005","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086043","13.267","0.006","16.237","0.008","7.83","0.004","90","","90","","90","","1686.7","1.4","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H22 Mo N2 O4 -","- C15 H22 Mo N2 O4 -","- C60 H88 Mo4 N8 O16 -","4","0.5","","Kyran, Samuel J.; Sanchez, Sergio G.; Arp, Christopher J.; Darensbourg, Donald J.","Syntheses and Structures of [CH2(NCnH2n)2]Mo(CO)4(n= 4,5) Complexes with Bis(cycloamine) Ligands Easily Prepared from CH2Cl2","Organometallics","2015","34","14","3598","","10.1021/acs.organomet.5b00396","","","0.71073","MoKα","","0.0711","0.0495","","","0.1262","0.1385","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086112","20.6636","0.0009","18.7523","0.0008","10.3659","0.0005","90","","90","","90","","4016.7","0.3","93","2","93","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H45 Cl4 Ho3 O4 -","- C39 H37 Cl4 Ho3 O4 -","- C156 H148 Cl16 Ho12 O16 -","4","0.5","","Corbey, Jordan F.; Woen, David H.; Palumbo, Chad T.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Ligand Effects in the Synthesis of Ln2+Complexes by Reduction of Tris(cyclopentadienyl) Precursors Including C‒H Bond Activation of an Indenyl Anion","Organometallics","2015","34","15","3909","","10.1021/acs.organomet.5b00500","","","0.71073","MoKα","","0.0332","0.0304","","","0.0773","0.0789","","","","","","1.041","","","","has coordinates,has disorder","154729","2020-10-21","18:00:00",""
"4086430","9.502","0.004","7.282","0.003","20.079","0.008","90","","90","","90","","1389.3","1","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13 H15 F3 N2 O2 Ti -","- C13 H15 F3 N2 O2 Ti -","- C52 H60 F12 N8 O8 Ti4 -","4","0.5","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","Active O,Npy,N-Titanium(IV) Fluoride Precatalysts for Ethylene Polymerization: Exploring “Fluoride Effects” on Polymer Properties and Catalytic Performance","Organometallics","2016","35","9","1183","","10.1021/acs.organomet.5b00900","","","0.71073","MoKα","","0.0858","0.0539","","","0.112","0.1214","","","","","","0.971","","","","has coordinates","183606","2020-10-21","18:00:00",""
"4086456","17.5416","0.0014","19.6877","0.0015","18.0574","0.0014","90","","90","","90","","6236.2","0.8","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","unimc22","","","- C54 H68 F6 N4 O6 Ru2 S2 -","- C54 H68 F6 N4 O6 Ru2 S2 -","- C216 H272 F24 N16 O24 Ru8 S8 -","4","0.5","","Wiltse, Heather R.; Johnson, Alyssa N.; Durand, Raphael J.; Brennessel, William; Chin, Robert M.","Syntheses, Characterization, and Reactivity of Diruthenium Hydrido Complexes","Organometallics","2016","35","8","1079","","10.1021/acs.organomet.6b00067","","","0.71073","MoKα","","0.0771","0.0449","","","0.1178","0.142","","","","","","1.025","","","","has coordinates,has disorder","182520","2020-10-21","18:00:00",""
"4086542","11.4449","0.0008","8.934","0.0006","11.4723","0.0008","90","","90","","90","","1173.03","0.14","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H9 Co I2 -","- C10 H9 Co I2 -","- C40 H36 Co4 I8 -","4","0.5","","Vanicek, Stefan; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Hassenrück, Christopher; Winter, Rainer F.; Bildstein, Benno","Monofunctionalized Cobaltocenium Compounds by Dediazoniation Reactions of Cobaltoceniumdiazonium Bis(hexafluorophosphate)","Organometallics","2016","35","12","2101","","10.1021/acs.organomet.6b00329","","","0.71073","MoKα","","0.0223","0.0188","","","0.0433","0.0445","","","","","","1.152","","","","has coordinates","184942","2020-10-21","18:00:00",""
"4086547","5.9964","0.0003","13.1856","0.0007","12.0268","0.0007","90","","90","","90","","950.91","0.09","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H13 O3 Re -","- C9 H13 O3 Re -","- C36 H52 O12 Re4 -","4","0.5","","Raju, Suresh; van Slagmaat, Christian A. M. R.; Li, Jing; Lutz, Martin; Jastrzebski, Johann T. B. H.; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M.","Synthesis of Cyclopentadienyl-Based Trioxo-rhenium Complexes and Their Use as Deoxydehydration Catalysts","Organometallics","2016","35","13","2178","","10.1021/acs.organomet.6b00120","","","0.71073","MoKα","","0.0251","0.0189","","","0.0416","0.0434","","","","","","1.067","","","","has coordinates","184940","2020-10-21","18:00:00",""
"4086660","17.1738","0.0018","19.024","0.0019","11.088","0.0011","90","","90","","90","","3622.6","0.6","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C31 H38 B I N4 -","- C31 H38 B I N4 -","- C124 H152 B4 I4 N16 -","4","0.5","","Garner, Mary E.; Hohloch, Stephan; Maron, Laurent; Arnold, John","A New Supporting Ligand in Actinide Chemistry Leads to Reactive Bis(NHC)borate-Supported Thorium Complexes","Organometallics","2016","35","17","2915","","10.1021/acs.organomet.6b00467","","","0.71073","MoKα","","0.0386","0.0325","","","0.0718","0.0745","","","","","","1.08","","","","has coordinates","186962","2020-10-21","18:00:00",""
"4086693","23.1071","0.0006","12.2839","0.0004","8.1899","0.0002","90","","90","","90","","2324.66","0.11","120","","120","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H33 In N2 -","- C24 H33 In N2 -","- C96 H132 In4 N8 -","4","0.5","","Cybularczyk, Martyna; Dranka, Maciej; Zachara, Janusz; Horeglad, Paweł","Effect of In‒CNHCBonds on the Synthesis, Structure, and Reactivity of Dialkylindium Alkoxides: How Indium Compares to Gallium","Organometallics","2016","35","19","3311","","10.1021/acs.organomet.6b00510","","x-ray","0.71073","MoKα","","0.0237","0.0209","","","0.0491","0.0504","","","","","","1.065","","","","has coordinates,has disorder","187944","2020-10-21","18:00:00",""
"4086724","24.5759","0.0011","16.1186","0.0008","19.5992","0.0009","90","","90","","90","","7763.8","0.6","100","2","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31.5 H52 Cl Ir N4 O5.5 -","- C31.5 H52 Cl Ir N4 O5.5 -","- C252 H416 Cl8 Ir8 N32 O44 -","8","1","","Gomez-Lopez, Jessica L.; Chávez, Daniel; Parra-Hake, Miguel; Royappa, Arun T.; Rheingold, Arnold L.; Grotjahn, Douglas B.; Miranda-Soto, Valentín","Synthesis and Reactivity of Bis(protic N-heterocyclic carbene)iridium(III) Complexes","Organometallics","2016","35","18","3148","","10.1021/acs.organomet.6b00501","","x-ray","0.71073","MoKα","","0.0637","0.0374","","","0.0792","0.0906","","","","","","1.013","","","","has coordinates,has disorder","186943","2020-10-21","18:00:00",""
"4086773","16.0481","0.0014","9.5636","0.0009","10.3892","0.0009","90","","90","","90","","1594.5","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H20 Co N3 O3 -","- C13 H20 Co N3 O3 -","- C52 H80 Co4 N12 O12 -","4","0.5","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Härterich, Heidi Schneider Marcel; Radius, Udo","Correction to Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00833","","","0.71073","MoKα","","0.0733","0.0566","","","0.1559","0.1679","","","","","","1.064","","","","has coordinates","188327","2020-10-21","18:00:00",""
"4086946","15.3788","0.0003","14.9492","0.0011","9.2127","0.0002","90","","90","","90","","2118.01","0.17","85","2","85","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H18 B F3 N6 Ni -","- C22 H18 B F3 N6 Ni -","- C88 H72 B4 F12 N24 Ni4 -","4","0.5","","Meucci, Elizabeth A.; Camasso, Nicole M.; Sanford, Melanie S.","An Organometalllic NiIV Complex That Participates in Competing Transmetalation and C(sp2)‒O Bond-Forming Reductive Elimination Reactions","Organometallics","2017","36","2","247","","10.1021/acs.organomet.6b00810","","","1.54178","CuKα","","0.0479","0.0437","","","0.117","0.1197","","","","","","1.097","","","","has coordinates","190887","2020-10-21","18:00:00",""
"4086978","10.537","0.002","15.918","0.003","11.484","0.002","90","","90","","90","","1926.2","0.6","173.15","","173.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C25 H15 B N6 -","- C25 H15 B N6 -","- C100 H60 B4 N24 -","4","0.5","","Wang, Zikuan; Fu, Xuefeng","Synthesis, Characterization, and Reactivity Studies of Subphthalocyanine Boron Triflate","Organometallics","2017","36","2","285","","10.1021/acs.organomet.6b00754","","","0.71073","MoKα","","0.0583","0.0575","","","0.1403","0.1409","","","","","","1.164","","","","has coordinates,has disorder","191285","2020-10-21","18:00:00",""
"4087407","22.9304","0.0003","12.19709","0.00014","8.07487","0.00008","90","","90","","90","","2258.41","0.05","100","0.2","100","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H33 Ga N2 -","- C24 H33 Ga N2 -","- C96 H132 Ga4 N8 -","4","0.5","","Horeglad, Paweł; Cybularczyk, Martyna; Trzaskowski, Bartosz; Żukowska, Grażyna Zofia; Dranka, Maciej; Zachara, Janusz","Dialkylgallium Alkoxides Stabilized with N-Heterocyclic Carbenes: Opportunities and Limitations for the Controlled and Stereoselective Polymerization of rac-Lactide","Organometallics","2015","34","14","3480","","10.1021/acs.organomet.5b00071","","x-ray","0.71073","MoKα","","0.0226","0.022","","","0.0566","0.0569","","","","","","1.087","","","","has coordinates,has disorder","236783","2020-10-21","18:00:00",""
"4087627","17.4627","0.0007","22.0671","0.0009","9.047","0.0004","90","","90","","90","","3486.3","0.3","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C30 H61 Cl N2 O3 Os P2 -","- C30 H61 Cl N2 O3 Os P2 -","- C120 H244 Cl4 N8 O12 Os4 P8 -","4","0.5","","Bolaño, Tamara; Esteruelas, Miguel A.; Gay, M. Pilar; Oñate, Enrique; Pastor, Isidro M.; Yus, Miguel","An Acyl-NHC Osmium Cooperative System: Coordination of Small Molecules and Heterolytic B‒H and O‒H Bond Activation","Organometallics","2015","34","15","3902","","10.1021/acs.organomet.5b00418","","","0.71073","MoKα","","0.0268","0.0215","","","0.046","0.0482","","","","","","1.04","","","","has coordinates","236888","2020-10-21","18:00:00",""
"4088019","16.5637","0.0006","14.4241","0.0005","12.5348","0.0005","90","","90","","90","","2994.77","0.19","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C20 H42 B10 I O2 P2 Rh -","- C20 H42 B10 I O2 P2 Rh -","- C80 H168 B40 I4 O8 P8 Rh4 -","4","0.5","","Eleazer, Bennett J.; Smith, Mark D.; Peryshkov, Dmitry V.","Metal- and Ligand-Centered Reactivity of meta-Carboranyl-Backbone Pincer Complexes of Rhodium","Organometallics","2016","35","2","106","","10.1021/acs.organomet.5b00807","","x-ray","0.71073","MoKα","","0.0215","0.0182","","","0.0448","0.0463","","","","","","1.077","","","","has coordinates","237215","2020-10-21","18:00:00",""
"4088190","11.6135","0.0006","17.5625","0.0009","11.4704","0.0006","90","","90","","90","","2339.5","0.2","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H36 Ge Si4 -","- C16 H36 Ge Si4 -","- C64 H144 Ge4 Si16 -","4","0.5","","Lee, Vladimir Ya.; Gapurenko, Olga A.; Ito, Yuki; Meguro, Takahiko; Sugasawa, Haruka; Sekiguchi, Akira; Minyaev, Ruslan M.; Minkin, Vladimir I.; Herber, Rolfe H.; Gornitzka, Heinz","Pyramidanes: The Covalent Form of the Ionic Compounds","Organometallics","2016","35","3","346","","10.1021/acs.organomet.5b00924","","","0.71073","MoKα","","0.0254","0.0242","","","0.0707","0.0716","","","","","","1.082","","","","has coordinates","237353","2020-10-21","18:00:00",""
"4088221","20.773","0.004","18.584","0.004","9.807","0.002","90","","90","","90","","3785.9","1.3","180.15","","180.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H50 Fe N2 P4 Si -","- C39 H50 Fe N2 P4 Si -","- C156 H200 Fe4 N8 P16 Si4 -","4","0.5","","Xiong, Zichang; Li, Xiaoyan; Zhang, Shumiao; Shi, Yaomin; Sun, Hongjian","Synthesis and Reactivity of N-Heterocyclic PSiP Pincer Iron and Cobalt Complexes and Catalytic Application of Cobalt Hydride in Kumada Coupling Reactions","Organometallics","2016","35","3","357","","10.1021/acs.organomet.5b00937","","x-ray","0.71073","MoKα","","0.0518","0.0285","","","0.0542","0.0586","","","","","","0.893","","","","has coordinates,has disorder","237394","2020-10-21","18:00:00",""
"4088319","18.2799","0.0017","19.204","0.0019","24.661","0.002","90","","90","","90","","8657.2","1.4","100","2","100","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C81 H99 B2 Cl8 F8 N2 O2 P2 Pd -","- C81 H92 B2 Cl8 F8 N2 O2 P2 Pd -","- C324 H368 B8 Cl32 F32 N8 O8 P8 Pd4 -","4","0.5","","Hirasawa, Kengo; Tanaka, Shinya; Horiuchi, Takeru; Kobayashi, Takahiro; Sato, Takumi; Morohashi, Naoya; Hattori, Tetsutaro","Pd(II) Complexes Ligated by 1,3-Bis(diphenylphosphino)calix[4]arene: Preparation, X-ray Structures, and Catalyses","Organometallics","2016","35","3","420","","10.1021/acs.organomet.5b00999","","","0.71073","MoKα","","0.1367","0.0975","","","0.2353","0.2626","","","","","","1.173","","","","has coordinates,has disorder","237463","2020-10-21","18:00:00",""
"4088338","11.922","0.003","14.727","0.004","8.545","0.002","90","","90","","90","","1500.3","0.7","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H21 F6 N2 P -","- C11 H21 F6 N2 P -","- C44 H84 F24 N8 P4 -","4","0.5","","Ohki, Yasuhiro; Hoshino, Ryoko; Tatsumi, Kazuyuki","N-Heterocyclic Carbene Complexes of Three- and Four-Coordinate Fe(I)","Organometallics","2016","35","10","1368","","10.1021/acs.organomet.5b01025","","","0.71075","MoKα","","0.0851","0.0751","","","0.2098","0.2199","","","","","","1.085","","","","has coordinates","275250","2022-05-09","02:02:01",""
"4088412","12.854","0.003","10.221","0.003","11.434","0.003","90","","90","","90","","1502.2","0.7","183.15","","183.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H14 B F4 Ni2 S2 -","- C12 H14 B F4 Ni2 S2 -","- C48 H56 B4 F16 Ni8 S8 -","4","0.5","","Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Effect of Pyramidalization of the M2(SR)2Center: The Case of (C5H5)2Ni2(SR)2","Organometallics","2016","35","5","836","","10.1021/acs.organomet.6b00068","","","0.71073","MoKα","","0.0308","0.0258","","","0.0653","0.0677","","","","","","1.067","","","","has coordinates","237551","2020-10-21","18:00:00",""
"4088413","13.5362","0.0005","10.0545","0.0004","11.4337","0.0005","90","","90","","90","","1556.12","0.11","100","2","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13 H16 B F4 Ni2 S2 -","- C13 H16 B F4 Ni2 S2 -","- C52 H64 B4 F16 Ni8 S8 -","4","0.5","","Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Effect of Pyramidalization of the M2(SR)2Center: The Case of (C5H5)2Ni2(SR)2","Organometallics","2016","35","5","836","","10.1021/acs.organomet.6b00068","","","0.71073","MoKα","","0.0252","0.0213","","","0.0489","0.0508","","","","","","1.1","","","","has coordinates,has disorder","237551","2020-10-21","18:00:00",""
"4088623","13.01","0.005","12.359","0.005","8.615","0.003","90","","90","","90","","1385.2","0.9","93","","93","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H7 Cl5 O Ti -","- C11 H7 Cl5 O Ti -","- C44 H28 Cl20 O4 Ti4 -","4","0.5","","Zhao, Weizhen; Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Efficient Norbornene (NBE) Incorporation in Ethylene/NBE Copolymerization by Half-Titanocene Catalysts Containing Chlorinated Aryloxo Ligands","Organometallics","2016","35","11","1895","","10.1021/acs.organomet.6b00242","","","0.71075","MoKα","","","0.0377","","","","0.2223","","","","","","1.183","","","","has coordinates","237720","2020-10-21","18:00:00",""
"4088671","6.4717","0.0007","23.848","0.002","12.7063","0.0013","90","","90","","90","","1961.1","0.3","100","2","100","","","","","","","","","3","P n m a","-P 2ac 2n","62","2,6-dimesitylphenylmethyleneimine","2,2"".4,4"",6,6""-hexamethyl-N-methylene-{1,1':3',1""-terphenyl]-2'amine","","- C25 H27 N -","- C25 H27 N -","- C100 H108 N4 -","4","0.5","","Carpenter, Alex E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Well-Defined Isocyano Analogue of HCo(CO)4. 1: Synthesis, Decomposition, and Catalytic 1,1-Hydrogenation of Isocyanides","Organometallics","2016","35","14","2309","","10.1021/acs.organomet.6b00297","","","1.54178","CuKα","","0.0872","0.0564","","","0.1306","0.1471","","","","","","1.057","","","","has coordinates","237758","2020-10-21","18:00:00",""
"4088677","26.2209","0.0013","18.8401","0.0009","14.1228","0.0007","90","","90","","90","","6976.7","0.6","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","Co(Mes2NCC(H)NArMes2)(CO)3(CNArMes2)","","","- C83.28 H88.37 Co N3 O3 -","- C83.2796 H88.3728 Co N3 O3 -","- C333.118 H353.491 Co4 N12 O12 -","4","0.5","","Carpenter, Alex E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Well-Defined Isocyano Analogue of HCo(CO)4. 1: Synthesis, Decomposition, and Catalytic 1,1-Hydrogenation of Isocyanides","Organometallics","2016","35","14","2309","","10.1021/acs.organomet.6b00297","","","0.71073","MoKα","","0.0484","0.0392","","","0.1049","0.1103","","","","","","1.028","","","","has coordinates,has disorder","237758","2020-10-21","18:00:00",""
"4088744","16.0481","0.0014","9.5636","0.0009","10.3892","0.0009","90","","90","","90","","1594.5","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H20 Co N3 O3 -","- C13 H20 Co N3 O3 -","- C52 H80 Co4 N12 O12 -","4","0.5","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Schneider, Heidi; Härterich, Marcel; Radius, Udo","Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","35","17","2806","","10.1021/acs.organomet.6b00374","","","0.71073","MoKα","","0.0733","0.0566","","","0.1559","0.1679","","","","","","1.064","","","","has coordinates","237801","2020-10-21","18:00:00",""
"4088852","15.8145","0.0009","19.413","0.008","7.594","0.01","90","","90","","90","","2331","3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H24 N2 O4 Os -","- C25 H24 N2 O4 Os -","- C100 H96 N8 O16 Os4 -","4","0.5","","Bissert, Robin; Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph","Metal-Only Lewis Pairs Based on Zerovalent Osmium","Organometallics","2016","35","15","2567","","10.1021/acs.organomet.6b00495","","","0.71073","MoKα","","0.0156","0.0138","","","0.032","0.0329","","","","","","1.111","","","","has coordinates","237858","2020-10-21","18:00:00",""
"4088913","18.784","0.013","12.325","0.008","11.039","0.007","90","","90","","90","","2556","3","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C23 H38 N2 O3 P2 W -","- C23 H38 N2 O3 P2 W -","- C92 H152 N8 O12 P8 W4 -","4","0.5","","de Aguiar, Sara R. M. M.; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Arene C‒H Bond Coordination versus C‒H Bond Cleavage in Low-Valent Group 6 Carbonyl Pincer Complexes","Organometallics","2016","35","17","3032","","10.1021/acs.organomet.6b00563","","x-ray","0.71073","MoKα","","0.0184","0.0136","","","0.0185","0.0193","","","","1.31","1.31","1.29","","","","has coordinates","237878","2020-10-21","18:00:00",""
"4088938","9.1938","0.0003","11.5524","0.0004","9.6348","0.0003","90","","90","","90","","1023.32","0.06","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","LKR-606","","","- C6 H11 O2 Re S3 -","- C6 H11 O2 Re S3 -","- C24 H44 O8 Re4 S12 -","4","0.5","","Robbins, Leanna K.; Lilly, Cassandra P.; Sommer, Roger D.; Ison, Elon A.","Effect of the Ancillary Ligand on the Mechanism for CO Migratory Insertion in High-Valent Oxorhenium Complexes","Organometallics","2016","35","20","3530","","10.1021/acs.organomet.6b00570","","","0.71073","MoKα","","0.0179","0.017","","","0.042","0.0424","","","","","","1.096","","","","has coordinates","237894","2020-10-21","18:00:00",""
"4089110","8.0461","0.0006","6.7554","0.0006","23.9279","0.0016","90","","90","","90","","1300.59","0.17","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H9 Au Cl2 N6 S -","- C7 H9 Au Cl2 N6 S -","- C28 H36 Au4 Cl8 N24 S4 -","4","0.5","","Schuh, Esther; Werner, Svenja; Otte, Daniela; Monkowius, Uwe; Mohr, Fabian","A Neutral, Carbene-Stabilized Gold(III) Triazide","Organometallics","2016","35","20","3448","","10.1021/acs.organomet.6b00714","","","0.71073","MoKα","","0.0433","0.0333","","","0.0683","0.0734","","","","","","1.085","","","","has coordinates,has disorder","237992","2020-10-21","18:00:00",""
"4089312","18.9753","0.0014","17.16","0.0007","11.1031","0.0008","90","","90","","90","","3615.3","0.4","213","2","213","2","","","","","","","","7","P n m a","-P 2ac 2n","62","compound 1Ni","","","- C31 H46 B Co N6 Ni O4 -","- C31 H46 B Co N6 Ni O4 -","- C124 H184 B4 Co4 N24 Ni4 O16 -","4","0.5","","Uehara, Kazuhiro; Hikichi, Shiro; Akita, Munetaka","Rational Synthesis and Reversible Metal−Metal Bond Scission of Heterobimetallic Xenophilic Complexes Containing an Unsupported, Polar Metal−Metal Bond, TpiPr2M−Co(CO)3L (M = Ni, Co, Fe, Mn; L = CO, PPh3)","Organometallics","2001","20","24","5002","","10.1021/om010651j","","","0.71069","MoKα","","0.0779","0.043","","","0.1117","0.1269","","","","","","0.662","","","","has coordinates","244974","2020-10-21","18:00:00",""
"4089313","18.9886","0.0007","17.0443","0.0005","11.0816","0.0005","90","","90","","90","","3586.5","0.2","213","2","213","2","","","","","","","","6","P n m a","-P 2ac 2n","62","compound 1Co","","","- C31 H46 B Co2 N6 O4 -","- C31 H46 B Co2 N6 O4 -","- C124 H184 B4 Co8 N24 O16 -","4","0.5","","Uehara, Kazuhiro; Hikichi, Shiro; Akita, Munetaka","Rational Synthesis and Reversible Metal−Metal Bond Scission of Heterobimetallic Xenophilic Complexes Containing an Unsupported, Polar Metal−Metal Bond, TpiPr2M−Co(CO)3L (M = Ni, Co, Fe, Mn; L = CO, PPh3)","Organometallics","2001","20","24","5002","","10.1021/om010651j","","","0.71069","MoKα","","0.0826","0.041","","","0.1049","0.1271","","","","","","0.633","","","","has coordinates","244974","2020-10-21","18:00:00",""
"4089353","14.1581","0.0017","11.7048","0.0014","20.864","0.003","90","","90","","90","","3457.5","0.8","173","0.1","173","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","hollz01","","","- C34 H50 Al2 N4 O -","- C30 H42 Al2 N4 -","- C120 H168 Al8 N16 -","4","0.5","","Vela, Javier; Zhu, Liwei; Flaschenriem, Christine J.; Brennessel, William W.; Lachicotte, Rene J.; Holland, Patrick L.","Macrocyclic Binucleating β-Diketiminate Ligands and their Lithium, Aluminum, and Zinc Complexes.","Organometallics","2007","26","14","3416","3423","10.1021/om0700258","","","0.71073","MoKα","","0.0585","0.0444","","","0.129","0.1354","","","","","","1.081","","","","has coordinates,has disorder","243616","2020-10-21","18:00:00",""
"4089355","18.1741","0.0005","27.3477","0.0008","21.2134","0.0005","90","","90","","90","","10543.5","0.5","293.1","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C23 H30 Ir2 Mo O3 S2 -","- C23 H30 Ir2 Mo O3 S2 -","- C368 H480 Ir32 Mo16 O48 S32 -","16","2","","Kajitani, Hidenobu; Seino, Hidetake; Mizobe, Yasushi","Synthesis of a Sulfido-Capped Trinuclear Cluster [{(η5-C5Me5)Ir}2{Mo(CO)3}(μ3-S)2] and Its Reactions at the Molybdenum Site Forming a Series of Ir2MoS2Clusters","Organometallics","2007","26","14","3499","","10.1021/om070190n","","","0.7107","MoKα","","","0.03","","","","0.086","","","","","","1.026","","","","has coordinates","243617","2020-10-21","18:00:00",""
"4089387","17.6393","0.0003","21.589","0.0004","10.3737","0.0002","90","","90","","90","","3950.46","0.13","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C43 H59 Al2 N3 -","- C43 H60 Al2 N3 -","- C172 H240 Al8 N12 -","4","0.5","","Bakthavachalam, K.; Reddy, N. Dastagiri","Synthesis of Aluminum Complexes of Triaza Framework Ligands and Their Catalytic Activity toward Polymerization of ε-Caprolactone","Organometallics","2013","32","11","3174","","10.1021/om3011432","","","0.71073","MoKα","","0.0818","0.0462","","","0.1121","0.1185","","","","","","0.918","","","","has coordinates","243627","2020-10-21","18:00:00",""
"4089405","28.416","0.006","15.56","0.003","10.537","0.002","90","","90","","90","","4659","1.6","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C48 H57 Cl Co O2 P3 Si -","- C48 H57 Cl Co O2 P3 Si -","- C192 H228 Cl4 Co4 O8 P12 Si4 -","4","0.5","","Wu, Siquan; Li, Xiaoyan; Xiong, Zichang; Xu, Wengang; Lu, Yunqiang; Sun, Hongjian","Synthesis and Reactivity of Silyl Iron, Cobalt, and Nickel Complexes Bearing a [PSiP]-Pincer Ligand via Si‒H Bond Activation","Organometallics","2013","32","11","3227","","10.1021/om400047j","","","0.71073","MoKα","","0.1338","0.0762","","","0.2005","0.2432","","","","","","1.038","","","","has coordinates","243633","2020-10-21","18:00:00",""
"4089441","19.165","0.004","7.1529","0.0014","10.601","0.002","90","","90","","90","","1453.2","0.5","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H19 Cl O3 Si -","- C12 H19 Cl O3 Si -","- C48 H76 Cl4 O12 Si4 -","4","0.5","","Laskowski, Nadine; Reis, Eva-Maria; Kötzner, Lisa; Baus, Johannes A.; Burschka, Christian; Tacke, Reinhold","Synthesis of Silicon-Functionalized (Silylmethyl)silanes and α,ω-Dichlorocarbosilanes Using the TMOP (2,4,6-Trimethoxyphenyl) Protecting Group: (TMOP)Me2SiCH2Cl and (TMOP)2MeSiCH2Cl as Reagents To Introduce the ClMe2SiCH2, MeOMe2SiCH2, or Cl2MeSiCH2 Group by Nucleophilic Substitution at Silicon","Organometallics","2013","32","11","3269","","10.1021/om400190q","","","0.71073","MoKα","","0.0534","0.0364","","","0.0971","0.1042","","","","","","0.997","","","","has coordinates","243645","2020-10-21","18:00:00",""
"4089707","27.9849","0.0015","12.9449","0.0007","7.9074","0.0005","90","","90","","90","","2864.5","0.3","109","2","109","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H28 Cl4 I3 N5 Pd -","- C20 H28 Cl4 I3 N5 Pd -","- C80 H112 Cl16 I12 N20 Pd4 -","4","0.5","","Desai, Sai Puneet; Mondal, Moumita; Choudhury, Joyanta","Chelating Bis-N-heterocyclic Carbene‒Palladium(II) Complexes for Oxidative Arene C‒H Functionalization","Organometallics","2015","34","12","2731","","10.1021/om501163m","","","0.71073","MoKα","","0.1023","0.0733","","","0.1534","0.1645","","","","","","1.131","","","","has coordinates","243725","2020-10-21","18:00:00",""
"4100035","7.5926","0.0012","12.408","0.002","15.483","0.003","90","","90","","90","","1458.7","0.4","163","2","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H13 F4 N -","- C19 H13 F4 N -","- C76 H52 F16 N4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100039","7.334","0.0003","19.543","0.0004","9.082","0.0004","90","","90","","90","","1301.7","0.1","273.2","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H12 Br2 O -","- C27 H18 Br4 O -","- C108 H72 Br16 O4 -","4","0.5","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100046","8.493","0.0002","14.313","0.0006","15.954","0.0008","90","","90","","90","","1939.4","0.1","273.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H17 B O2 S2 -","- C36 H29 B O4 S2 -","- C144 H116 B4 O16 S8 -","4","0.5","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100122","16.6552","0.0003","10.3703","0.0001","11.7614","0.0002","90","","90","","90","","2031.42","0.05","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H13 O5 P W -","- C21 H13 O5 P W -","- C84 H52 O20 P4 W4 -","4","0.5","","Borst, Mark L. G.; Bulo, R. E.; Winkel, Christiaan W.; Gibney, Daniele J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","Phosphepines: Convenient Access to Phosphinidene Complexes","Journal of the American Chemical Society","2005","","","","","10.1021/ja050817y","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100137","11.53","0.002","14.853","0.002","12.033","0.002","90","","90","","90","","2060.7","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4.5 H13.5 Br2 Mo0.5 P1.5 -","- C4.5 H13.5 Br2 Mo0.5 P1.5 -","- C36 H108 Br16 Mo4 P12 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043078e","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100156","17.0472","0.0006","12.1525","0.0004","18.6112","0.0006","90","","90","","90","","3855.6","0.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H57 Cl2 Mn2 N7 O13 -","- C28 H57 Cl2 Mn2 N7 O13 -","- C112 H228 Cl8 Mn8 N28 O52 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042655w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100213","17.0088","0.0011","9.2319","0.0006","19.0881","0.0012","90","","90","","90","","2997.3","0.3","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","[Me3NN]Ni=NAd","","","- C33 H44 N3 Ni -","- C33 H44 N3 Ni -","- C132 H176 N12 Ni4 -","4","0.5","","Kogut, E.; Wiencko, H. L.; Zhang, L.; Cordeau, D. E.; Warren, Timothy H.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0533186","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100353","8.941","0.001","10.139","0.001","8.765","0.001","90","","90","","90","","794.57","0.15","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H6 F5 N O Si -","- C3 H6 F5 N O Si -","- C12 H24 F20 N4 O4 Si4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100488","18.8716","0.001","18.4126","0.0009","14.8895","0.0008","90","","90","","90","","5173.7","0.5","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C44 H52 Cl3 Cu3 N11 O15 -","- C44 H53 Cl3 Cu3 N11 O15 -","- C176 H212 Cl12 Cu12 N44 O60 -","4","0.5","","M. Jagoda; S. Warzeska; H. Pritzkow; H. Wadepohl; P. Imhof; J. Smith; R. Krämer","Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired Dicopper(II) Macrocyclic Complex","Journal of the American Chemical Society","2005","","","15061","","10.1021/ja051357b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100568","16.115","0.005","11.761","0.003","8.482","0.003","90","","90","","90","","1607.6","0.8","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H24 F2 Ir P -","- C14 H22 F2 Ir P -","- C56 H88 F8 Ir4 P4 -","4","0.5","","Russell P. Hughes; Roman B. Laritchev; Jian Yuan; James A. Golen; Adam N. Rucker; Arnold L. Rheingold","A Simple Route to Difluorocarbene and Perfluoroalkylidene Complexes of Iridium","Journal of the American Chemical Society","2005","127","","15020","15021","10.1021/ja055166k","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100594","20.5977","0.0019","13.7738","0.0013","15.3609","0.0014","90","","90","","90","","4358","0.7","90","","90","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C41 H1.5 Cl La0.5 S2 -","- C41 H1.5 Cl La0.5 S2 -","- C328 H12 Cl8 La4 S16 -","8","1","","","Crystal and molecular structure of ca170105","Journal of the American Chemical Society","2005","","","","","10.1021/ja0524806","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100720","23.0774","0.0018","13.6982","0.001","7.9439","0.0006","90","","90","","90","","2511.2","0.3","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","(Tp*)CoS(2,6-Me2-Ph)","","","- C23 H31 B Co N6 S -","- C23 H31 B Co N6 S -","- C92 H124 B4 Co4 N24 S4 -","4","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100759","12.7858","0.0005","21.2972","0.0008","5.1864","0.0002","90","","90","","90","","1412.27","0.09","104","2","104","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H16 Cu Mn N2 O11 -","- C7 H16 Cu Mn N2 O11 -","- C28 H64 Cu4 Mn4 N8 O44 -","4","0.5","","Sébastien Pillet; Mohamed Souhassou; Corine Mathonière; Claude Lecomte","Electron Density Distribution of an Oxamato Bridged Mn(II)-Cu(II) Bimetallic Chain and Correlation to Magnetic Properties","Journal of the American Chemical Society","2004","126","","1219","1228","10.1021/ja030279u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100980","6.5925","0.0001","10.6552","0.0001","21.296","0.0002","90","","90","","90","","1495.93","0.03","273","2","273","2","","","","","","","","6","P n m a","-P 2ac 2n","62","4-(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-morpholin-4-ium; tetrafluoro borate","","","- C10 H17 B F4 N4 O3 -","- C10 H17 B F4.01 N4 O3 -","- C40 H68 B4 F16.04 N16 O12 -","4","0.5","","Peddy Vishweshwar; Jennifer A. McMahon; Mark Oliveira; Matthew L. Peterson; Michael J. Zaworotko","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101003","14.0433","0.0009","21.5586","0.0013","10.1035","0.0006","90","","90","","90","","3058.9","0.3","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H41 Fe N2 O3 -","- C32 H41 Fe N2 O3 -","- C128 H164 Fe4 N8 O12 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101118","7.133","0.003","14.737","0.006","7.681","0.003","90","","90","","90","","807.4","0.6","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Yb4MgGe4","","","- Ge4 Mg0.96 Yb4.04 -","- Ge4 Mg0.956 Yb4.044 -","- Ge16 Mg3.824 Yb16.176 -","4","0.5","","Tobash, Paul H.; Bobev, Svilen","Structure and Bonding in Yb4MgGe4: Yb2+/Yb3+ Mixed-Valency and Charge-Ordering","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601383","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101119","7.101","0.003","14.649","0.006","7.64","0.003","90","","90","","90","","794.6","0.5","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge4 Mg1.24 Yb3.76 -","- Ge4 Mg1.24 Yb3.76 -","- Ge16 Mg4.96 Yb15.04 -","4","0.5","","Tobash, Paul H.; Bobev, Svilen","Structure and Bonding in Yb4MgGe4: Yb2+/Yb3+ Mixed-Valency and Charge-Ordering","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601383","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101120","7.0599","0.0011","14.565","0.002","7.6248","0.0012","90","","90","","90","","784.1","0.2","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge4 Mg1.55 Yb3.45 -","- Ge4 Mg1.558 Yb3.442 -","- Ge16 Mg6.232 Yb13.768 -","4","0.5","","Tobash, Paul H.; Bobev, Svilen","Structure and Bonding in Yb4MgGe4: Yb2+/Yb3+ Mixed-Valency and Charge-Ordering","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601383","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101196","12.964","0.0004","17.3985","0.0006","7.3944","0.0002","90","","90","","90","","1667.84","0.09","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Cl3 Ge N2 P -","- C10 H20 Cl3 Ge N2 P -","- C40 H80 Cl12 Ge4 N8 P4 -","4","0.5","","Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Du Mont, Wolf-Walter","P-Hydrogen substituted 1,3,2-Diazaphospholenes: Molecular Hydrides","Journal of the American Chemical Society","2006","","","","","10.1021/ja057827j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101197","12.7132","0.0003","17.4583","0.0005","7.7723","0.0002","90","","90","","90","","1725.07","0.08","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Cl3 N2 P Sn -","- C10 H20 Cl3 N2 P Sn -","- C40 H80 Cl12 N8 P4 Sn4 -","4","0.5","","Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Du Mont, Wolf-Walter","P-Hydrogen substituted 1,3,2-Diazaphospholenes: Molecular Hydrides","Journal of the American Chemical Society","2006","","","","","10.1021/ja057827j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101288","16.0881","0.0015","12.9815","0.0012","12.2632","0.0011","90","","90","","90","","2561.1","0.4","295","2","295","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C21 H33 B N6 O P2 Ru -","- C21 H33 B N6 O P2 Ru -","- C84 H132 B4 N24 O4 P8 Ru4 -","4","0.5","","Feng, Yuee; Lail, Marty; Foley, Nicholas A; Gunnoe, T Brent; Barakat, Khaldoon A; Cundari, Thomas R; Petersen, Jeffrey L","Hydrogen-deuterium exchange between TpRu(PMe3)(L)X (L = PMe3 and X = OH, OPh, Me, Ph, or NHPh; L = NCMe and X = Ph) and deuterated arene solvents: evidence for metal-mediated processes.","Journal of the American Chemical Society","2006","128","24","7982","7994","10.1021/ja0615775","","","0.71073","MoKα","","0.0325","0.0246","","","0.0622","0.0674","","","","","","1.064","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101380","20.858","0.003","21.39","0.003","8.6191","0.0011","90","","90","","90","","3845.4","0.9","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C32 H63 Cl2 N O Os P2 -","- C32 H63 Cl2 N O Os P2 -","- C128 H252 Cl8 N4 O4 Os4 P8 -","4","0.5","","Esteruelas, Miguel A; Fernandez-Alvarez, Francisco J; Oñate, Enrique","Stabilization of NH tautomers of quinolines by osmium and ruthenium.","Journal of the American Chemical Society","2006","128","40","13044","13045","10.1021/ja064979l","","","0.71073","MoKα","","0.0551","0.0412","","","0.1016","0.1054","","","","","","1.106","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101453","13.549","0.012","10.789","0.009","12.519","0.011","90","","90","","90","","1830","3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C11 H29 B11 -","- C11 H23 B11 -","- C44 H92 B44 -","4","0.5","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1005","0.0917","","","0.311","0.3372","","","","","","1.61","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101468","18.8461","0.0006","12.1995","0.0004","9.7818","0.0003","90","","90","","90","","2248.96","0.12","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H31 Br2 N P Pd -","- C22 H31 Br2 N P Pd -","- C88 H124 Br8 N4 P4 Pd4 -","4","0.5","","Christmann, Ute; Pantazis, Dimitrios A; Benet-Buchholz, Jordi; McGrady, John E; Maseras, Feliu; Vilar, Ramón","Experimental and theoretical investigations of new dinuclear palladium complexes as precatalysts for the amination of aryl chlorides.","Journal of the American Chemical Society","2006","128","19","6376","6390","10.1021/ja057825z","","","0.71073","MoKα","","0.0505","0.0386","","","0.0955","0.1011","","","","","","1.028","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101524","19.967","0.009","10.206","0.005","12.039","0.006","90","","90","","90","","2453","2","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H44 Li N O Zn -","- C21 H44 Li N O Zn -","- C84 H176 Li4 N4 O4 Zn4 -","4","0.5","","Uchiyama, Masanobu; Matsumoto, Yotaro; Nobuto, Daisuke; Furuyama, Taniyuki; Yamaguchi, Kentaro; Morokuma, Keiji","Structure and reaction pathway of TMP-Zincate: amido base or alkyl base?","Journal of the American Chemical Society","2006","128","27","8748","8750","10.1021/ja060489h","","","0.71073","MoKα","","0.0468","0.0386","","","0.1123","0.1213","","","","","","1.047","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101698","16.893","0.003","21.358","0.004","8.0731","0.0016","90","","90","","90","","2912.8","0.9","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H20 F4 N0 O4 P2 W -","- C34 H18 F4 O4 P2 W -","- C136 H72 F16 O16 P8 W4 -","4","0.5","","Kaufhold, Oliver; Stasch, Andreas; Pape, Tania; Hepp, Alexander; Edwards, Peter G.; Newman, Paul D.; Hahn, F. Ekkehardt","Metal template controlled formation of [11]ane-P2C(NHC) macrocycles.","Journal of the American Chemical Society","2009","131","1","306","317","10.1021/ja807333f","","","0.71073","MoKα","","0.0247","0.0208","","","0.045","0.0463","","","","","","1.027","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101723","10.498","0.002","8.5","0.0017","9.94","0.002","90","","90","","90","","887","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C2 H7.33 Na2 O7.67 P2 Y -","- C2 H3 Na2 O7.67 P2 Y -","- C8 H12 Na8 O30.68 P8 Y4 -","4","0.5","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.0529","0.0402","","","0.0941","0.1015","","","","","","1.05","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101724","10.755","0.002","8.847","0.0018","10.534","0.002","90","","90","","90","","1002.3","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 La2 Na4 O17 P4 -","- C4 H10 La2 Na4 O17 P4 -","- C8 H20 La4 Na8 O34 P8 -","2","0.25","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.0345","0.0282","","","0.078","0.0815","","","","","","1.136","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101725","10.6825","0.0002","8.8219","0.0002","10.4567","0.0002","90","","90","","90","","985.44","0.03","150","2","175","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H11 Ce2 Na4 O17 P4 -","- C4 H10 Ce2 Na4 O17 P4 -","- C8 H20 Ce4 Na8 O34 P8 -","2","0.25","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.0228","0.0223","","","0.0526","0.0528","","","","","","1.366","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101726","10.476","0.002","8.7385","0.0017","10.543","0.002","90","","90","","90","","965.2","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Na4 Nd2 O17 P4 -","- C4 H10 Na4 Nd2 O17 P4 -","- C8 H20 Na8 Nd4 O34 P8 -","2","0.25","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.0199","0.0175","","","0.0431","0.044","","","","","","1.101","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101727","10.438","0.002","8.651","0.0017","10.398","0.002","90","","90","","90","","938.9","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H11 Eu2 Na4 O16.5 P4 -","- C4 H10 Eu2 Na4 O16.5 P4 -","- C8 H20 Eu4 Na8 O33 P8 -","2","0.25","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.0242","0.0198","","","0.0475","0.0492","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101729","10.4217","0.0005","8.6462","0.0004","10.3","0.0005","90","","90","","90","","928.11","0.08","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C2 H5 Gd Na2 O8 P2 -","- C2 H3 Gd Na2 O8 P2 -","- C8 H12 Gd4 Na8 O32 P8 -","4","0.5","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","1.5418","CuKα","","0.039","0.0387","","","0.1073","0.1075","","","","","","1.118","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101730","10.519","0.002","8.606","0.0017","9.999","0.002","90","","90","","90","","905.2","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H11 Na4 O16.5 P4 Tb2 -","- C4 H6 Na4 O16.5 P4 Tb2 -","- C8 H12 Na8 O33 P8 Tb4 -","2","0.25","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.066","0.0377","","","0.0689","0.0791","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101914","14.5159","0.0002","6.9687","0.0001","17.3259","0.0002","90","","90","","90","","1752.64","0.04","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H21 B F2 O3 -","- C20 H21 B F2 O3 -","- C80 H84 B4 F8 O12 -","4","0.5","","Guoqing Zhang; Jiwei Lu; Michal Sabat; Cassandra L. Fraser","Polymorphism and Reversible Mechanochromic Luminescence for Solid-State Difluoroboron Avobenzone","Journal of the American Chemical Society","2010","132","","2160","2162","10.1021/ja9097719","","","0.71073","MoKα","","0.0606","0.054","","","0.1795","0.1879","","","","","","1.017","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4102137","7.3206","0.0004","18.7916","0.0012","11.0189","0.0007","90","","90","","90","","1515.82","0.16","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H5.5 Mn0.5 N0.5 O2.5 -","- C7 H5.5 Mn0.5 N0.5 O2.5 -","- C56 H44 Mn4 N4 O20 -","8","1","","Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang","MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics","Journal of the American Chemical Society","2010","132","","3656","3657","10.1021/ja910818a","","","0.71073","MoKα","","0.0264","0.0248","","","0.0617","0.0627","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102197","18.421","0.005","14.485","0.004","11.217","0.003","90","","90","","90","","2993","1.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(Et4N)[Ni(PyN2(Me2))HCO2]","","","- C32 H42 N4 Ni O4 -","- C32 H42 N4 Ni O4 -","- C128 H168 N16 Ni4 O16 -","4","0.5","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0952","0.0855","","","0.2115","0.2152","","","","","","1.273","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102199","16.056","0.004","14.017","0.004","17.828","0.005","90","","90","","90","","4012.3","1.9","100","2","100","2","","","","","","","","8","P n m a","-P 2ac 2n","62","[Ni(PyN2(Me2))(CN)Fe(Me6tren)](OTf)","","","- C37 H51 F3 Fe N8 Ni O5 S -","- C37 H52 F3 Fe N8 Ni O5 S -","- C148 H208 F12 Fe4 N32 Ni4 O20 S4 -","4","0.5","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0792","0.0566","","","0.1368","0.1488","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102201","25.599","0.007","14.354","0.004","9.927","0.003","90","","90","","90","","3647.7","1.8","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(Et4N)[Ni(PyN2dien(Me3))OH]","","","- C36 H53 N7 Ni O3 -","- C36 H33 N7 Ni O3 -","- C144 H132 N28 Ni4 O12 -","4","0.5","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0896","0.0787","","","0.2189","0.2362","","","","","","1.067","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102356","24.333","0.005","4.111","0.0008","19.673","0.004","90","","90","","90","","1967.9","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Iron Lead Antinony Selenide (0.75/3.25/4/10)","","- Fe0.75 Pb3.25 Sb4 Se10 -","- Fe0.75 Pb3.25 Sb4 Se10 -","- Fe3 Pb13 Sb16 Se40 -","4","0.5","","Pierre F. P. Poudeu; Nathan Takas; Clarence Anglin; James Eastwood; Arianna Rivera","Fe~x~Pb~4-x~Sb~4~Se~10~: A New Class of Ferromagnetic Semiconductors with Quasi 1D {Fe~2~Se~10~} Ladders","Journal of the American Chemical Society","2010","132","","5751","5760","10.1021/ja910545e","","","0.71073","MoKα","","0.0293","0.0293","","","0.0717","0.0717","","","","","","1.232","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102403","10.581","0.002","23.213","0.004","6.078","0.001","90","","90","","90","","1492.9","0.5","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cu Mo3 O12 Rb4 -","- Cu Mo2.96 O12.02 Rb4 -","- Cu4 Mo11.84 O48.08 Rb16 -","4","0.5","","Rieko Ishii; Dixie Gautreaux; Keisuke Onuma; Yo Machida; Yoshiteru Maeno; Satoru Nakatsuji; Julia Y. Chan","Low-Dimensional Structure and Magnetism of the Quantum Antiferromagnet Rb4Cu(MoO4)3 and the Structure of Rb4Zn(MoO4)3","Journal of the American Chemical Society","2010","132","","7055","7061","10.1021/ja100077v","","","0.71073","MoKα","","0.0729","0.0508","","","0.1103","0.1188","","","","","","1.052","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102481","15.209","0.006","7.457","0.003","20.158","0.008","90","","90","","90","","2286.2","1.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H34 Cl6 Cu N4 O3 -","- C12 H34 Cl6 Cu N4 O3 -","- C48 H136 Cl24 Cu4 N16 O12 -","4","0.5","","Wen Zhang; Heng-Yun Ye; Hong-Ling Cai; Jia-Zhen Ge; Ren-Gen Xiong; Songping D. Huang","Discovery of New Ferroelectrics: [H2dbco]2.[Cl3].[CuCl3(H2O)2].H2O (dbco = 1,4-Diaza-bicyclo[2.2.2]octane)","Journal of the American Chemical Society","2010","132","","7300","7302","10.1021/ja102573h","","","0.71073","MoKα","","0.0625","0.0554","","","0.1729","0.1839","","","","","","1.331","","","","has coordinates,has disorder","178770","2020-10-21","18:00:00",""
"4102551","17.7592","0.0003","19.4726","0.0002","18.2732","0.0002","90","","90","","90","","6319.2","0.14","160","1","160","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H21 B11 Cl6 F4 Si -","- C21 H21 B11 Cl6 F4 Si -","- C168 H168 B88 Cl48 F32 Si8 -","8","1","","Paola Romanato; Simon Duttwyler; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Intramolecular Halogen Stabilization of Silylium Ions Directs Gearing Dynamics","Journal of the American Chemical Society","2010","132","","7828","7829","10.1021/ja9109665","","","0.71073","MoKα","","0.0545","0.0357","","","0.0812","0.0913","","","","","","1.038","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102624","7.6296","0.0006","20.834","0.0016","21.0695","0.0016","90","","90","","90","","3349.1","0.4","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H41 Cl3 Ir N P2 Si -","- C34 H41 Cl3 Ir N P2 Si -","- C136 H164 Cl12 Ir4 N4 P8 Si4 -","4","0.5","","Eduardo Sola; Alba García-Camprubí; José L. Andrés; Marta Martín; Pablo Plou","Iridium Compounds with κ-P,P,Si(biPSi) Pincer Ligands: Favoring Reactive Structures in Unsaturated Complexes","Journal of the American Chemical Society","2010","132","","9111","9121","10.1021/ja102479h","","","0.71073","MoKα","","0.0535","0.0301","","","0.0429","0.0461","","","","","","0.883","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102989","8.8808","0.0003","16.4776","0.0005","14.277","0.0005","90","","90","","90","","2089.21","0.12","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H32 Mo N2 O2 -","- C20 H32 Mo N2 O2 -","- C80 H128 Mo4 N8 O8 -","4","0.5","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0178","0.0167","","","0.0363","0.0366","","","","","","1","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102990","14.0017","0.0009","15.7393","0.001","9.1904","0.0006","90","","90","","90","","2025.4","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H32 N2 O2 W -","- C20 H32 N2 O2 W -","- C80 H128 N8 O8 W4 -","4","0.5","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0133","0.0111","","","0.0248","0.0254","","","","","","1","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4103076","13.806","0.003","9.909","0.002","16.903","0.004","90","","90","","90","","2312.4","0.9","301","2","301","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H23 Cl3 Fe N5 O4 -","- C18 H24 Cl3 Fe N5 O4 -","- C72 H96 Cl12 Fe4 N20 O16 -","4","0.5","","Toby Wai-Shan Chow; Ella Lai-Ming Wong; Zhen Guo; Yungen Liu; Jie-Sheng Huang; Chi-Ming Che","cis-Dihydroxylation of Alkenes with Oxone Catalyzed by Iron Complexes of a Macrocyclic Tetraaza Ligand and Reaction Mechanism by ESI-MS Spectrometry and DFT Calculations","Journal of the American Chemical Society","2010","132","","13229","13239","10.1021/ja100967g","","","0.71073","MoKα","","0.0379","0.0295","","","0.0797","0.0866","","","","","","1.031","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103156","17.3543","0.0007","5.6539","0.0002","4.7658","0.0002","90","","90","","90","","467.62","0.03","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- F2 H N O3 Xe -","- F2 H N O3 Xe -","- F8 H4 N4 O12 Xe4 -","4","0.5","","Matthew D. Moran; David S. Brock; Hélène P. A. Mercier; Gary J. Schrobilgen","Xe3OF3+, a Precursor to a Noble-Gas Nitrate; Syntheses and Structural Characterizations of FXeONO2, XeF2.HNO3, and XeF2.N2O4","Journal of the American Chemical Society","2010","132","","13823","13839","10.1021/ja105618w","","","0.71073","MoKα","","0.016","0.014","","","0.0311","0.0317","","","","","","1.302","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4103348","25.0572","0.0005","25.4805","0.0005","32.9266","0.0006","90","","90","","90","","21022.6","0.7","95","2","95","2","","","","","","","","5","P n m a","-P 2ac 2n","62","UMCM-4","","","- C33 H18 N O13 Zn4 -","- C33 H18 N O13 Zn4 -","- C264 H144 N8 O104 Zn32 -","8","1","","Kyoungmoo Koh; Antek G. Wong-Foy; Adam J. Matzger","Coordination Copolymerization Mediated by Zn4O(CO2R)6 Metal Clusters: a Balancing Act between Statistics and Geometry","Journal of the American Chemical Society","2010","132","","15005","15010","10.1021/ja1065009","","","1.54187","CuKα","","0.101","0.0552","","","0.1441","0.1571","","","","","","0.949","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103384","13.7592","0.0004","6.5942","0.0002","15.8076","0.0005","90","","90","","90","","1434.24","0.08","100","1","100","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H11 B F4 N2 O Pd -","- C14 H11 B F4 N2 O Pd -","- C56 H44 B4 F16 N8 O4 Pd4 -","4","0.5","","Alison N. Campbell; Paul B. White; Ilia A. Guzei; Shannon S. Stahl","Allylic C-H Acetoxylation with a 4,5-Diazafluorenone-Ligated Palladium Catalyst: A Ligand-Based Strategy To Achieve Aerobic Catalytic Turnover","Journal of the American Chemical Society","2010","132","","15116","15119","10.1021/ja105829t","","","0.71073","MoKα","","0.0205","0.0191","","","0.0481","0.0493","","","","","","0.861","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103387","6.8285","0.0007","14.5274","0.0018","14.0135","0.0018","90","","90","","90","","1390.1","0.3","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12.6 N0.6 O3 V -","- C12.678 N0.618 O3 V -","- C50.712 N2.472 O12 V4 -","4","0.5","","Michael Maes; Frederik Vermoortele; Luc Alaerts; Sarah Couck; Christine E. A. Kirschhock; Joeri F. M. Denayer; Dirk E. De Vos","Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms","Journal of the American Chemical Society","2010","132","","15277","15285","10.1021/ja106142x","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.0537","","0.97","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103449","12.7069","0.0009","13.2309","0.0007","13.9362","0.0008","90","","90","","90","","2343","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C0.4 Be1.6 K3.2 N0.4 O12 Si6.4 -","- C2.864 Be1.6 K3.128 N0.672 O16.768 Si6.4 -","- C14.32 Be8 K15.64 N3.36 O83.84 Si32 -","5","0.625","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.0973","0.1266","","","0.1574","0.1315","","","","","","1.112","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103526","16.447","0.002","12.741","0.0018","7.6738","0.0011","90","","90","","90","","1608.1","0.4","100","0.1","100","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","jonme07","","","- C15 H27 N P Rh -","- C15 H27 N P Rh -","- C60 H108 N4 P4 Rh4 -","4","0.5","","Meagan E. Evans; Ting Li; William D. Jones","C-H vs C-C Bond Activation of Acetonitrile and Benzonitrile via Oxidative Addition: Rhodium vs Nickel and Cp* vs Tp' (Tp' = Hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp* = η5-Pentamethylcyclopentadienyl)","Journal of the American Chemical Society","2010","132","","16278","16284","10.1021/ja107927b","","","0.71073","MoKα","","0.0299","0.0272","","","0.0698","0.0705","","","","","","1.423","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103581","14.718","0.002","8.9472","0.0012","17.545","0.002","90","","90","","90","","2310.4","0.5","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H0 Cl2 Co N5 O8 -","- C14 Cl2 Co N5 O8 -","- C56 Cl8 Co4 N20 O32 -","4","0.5","","Jaeheung Cho; Ritimukta Sarangi; Hye Yeon Kang; Jung Yoon Lee; Minoru Kubo; Takashi Ogura; Edward I. Solomon; Wonwoo Nam","Synthesis, Structural, and Spectroscopic Characterization and Reactivities of Mononuclear Cobalt(III)-Peroxo Complexes","Journal of the American Chemical Society","2010","132","","16977","16986","10.1021/ja107177m","","","0.71073","MoKα","","0.1098","0.0794","","","0.2227","0.2324","","","","","","1.03","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103637","16.8366","0.0012","20.2245","0.0012","9.8941","0.0008","90","","90","","90","","3369.1","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C38 H53 Cr N2 O -","- C38 H53 Cr N2 O -","- C152 H212 Cr4 N8 O4 -","4","0.5","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71069","MoKα","","0.0897","0.0605","","","0.162","0.1796","","","","","","1.027","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103651","20.376","0.006","16.9","0.005","10.96","0.003","90","","90","","90","","3774.1","1.9","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C73 Cl4 S2 -","- C73 Cl4 S2 -","- C292 Cl16 S8 -","4","0.5","","Karolin Ziegler; Andreas Mueller; Konstantin Yu. Amsharov; Martin Jansen","Disclosure of the Elusive C2v-C72 Carbon Cage","Journal of the American Chemical Society","2010","132","","17099","17101","10.1021/ja108470p","","","0.71073","MoKα","","0.1035","0.0839","","","0.2529","0.2761","","","","","","1.23","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103652","20.377","0.004","16.863","0.003","10.972","0.002","90","","90","","90","","3770.2","1.2","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","C72Cl4","","","- C73 Cl4 S2 -","- C73 Cl4 S2 -","- C292 Cl16 S8 -","4","0.5","","Yuan-Zhi Tan; Ting Zhou; Jian Bao; Gui-Juan Shan; Su-Yuan Xie; Rong-Bin Huang; Lan-Sun Zheng","C72Cl4: A Pristine Fullerene with Favorable Pentagon-Adjacent Structure","Journal of the American Chemical Society","2010","132","","17102","17104","10.1021/ja108860y","","","0.71073","MoKα","","0.0842","0.0783","","","0.2211","0.2277","","","","","","1.079","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103660","5.9696","0.0012","3.6022","0.0008","6.8336","0.0014","90","","90","","90","","146.95","0.05","150","2","150","2","","","","","","","","2","P n m a","-P 2ac 2n","62","calcium hydride","calcium hydride","","- Ca H2 -","- Ca H2 -","- Ca4 H8 -","4","0.5","","David A. Lang; Julia V. Zaikina; Derek D. Lovingood; Thomas E. Gedris; Susan E. Latturner","Ca2LiC3H: A New Complex Carbide Hydride Phase Grown in Metal Flux","Journal of the American Chemical Society","2010","132","","17523","17530","10.1021/ja107436n","","","0.71073","MoKα","","0.0212","0.0211","","","0.0529","0.053","","","","","","1.215","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103909","11.135","0.0008","6.5575","0.0004","4.9194","0.0003","90","","90","","90","","359.2","0.04","150","","150","","","","","","","","Christina Tang & Tony Downs","4","P n m a","-P 2ac 2n","62","","","","- C H8 B N -","- C H8 B N -","- C4 H32 B4 N4 -","4","0.5","","Simon Aldridge; Anthony J. Downs; Christina Y. Tang; Simon Parsons; Michael C. Clarke; Russell D. L. Johnstone; Heather E. Robertson; David W. H. Rankin; Derek A. Wann","Structures and Aggregation of the Methylamine-Borane Molecules, MenH3-nN.BH3 (n= 1-3), Studied by X-ray Diffraction, Gas-Phase Electron Diffraction, and Quantum Chemical Calculations","Journal of the American Chemical Society","2009","131","","2231","2243","10.1021/ja807545p","","","0.71073","MoKα","","0.052","0.0381","","0.1054","0.0964","0.1054","","","","","","1.0019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103916","7.4743","0.0005","14.7529","0.0007","7.7424","0.0004","90","","90","","90","","853.74","0.08","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd5 Si4 -","- Gd5 Si4 -","- Gd20 Si16 -","4","0.5","","Volodymyr Svitlyk; Gordon J. Miller; Yurij Mozharivskyj","Gd5Si4-xPx: Targeted Structural Changes through Increase in Valence Electron Count","Journal of the American Chemical Society","2009","131","","2367","2374","10.1021/ja8085033","","","0.71073","MoKα","","0.0419","0.0344","","","0.0749","0.0774","","","","","","1.089","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103917","7.6067","0.0017","14.645","0.003","7.6843","0.0016","90","","90","","90","","856","0.3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd5 P1.25 Si2.75 -","- Gd5 P1.24 Si2.76 -","- Gd20 P4.96 Si11.04 -","4","0.5","","Volodymyr Svitlyk; Gordon J. Miller; Yurij Mozharivskyj","Gd5Si4-xPx: Targeted Structural Changes through Increase in Valence Electron Count","Journal of the American Chemical Society","2009","131","","2367","2374","10.1021/ja8085033","","","0.71073","MoKα","","0.0824","0.0754","","","0.1655","0.1688","","","","","","1.11","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4104225","26.1863","0.0005","19.3506","0.0003","10.1987","0.0002","90","","90","","90","","5167.89","0.16","223","","","","","","","","","","LOC ETH Zurich","9","P n m a","-P 2ac 2n","62","","","","- C48 H40 Ag2 Cl4 F6 N2 O6 Pt S2 -","- C48 H40 Ag2 Cl4 F6 N2 O6 Pt S2 -","- C192 H160 Ag8 Cl16 F24 N8 O24 Pt4 S8 -","4","0.5","","Marc-Etienne Moret; Peter Chen","Interaction of Organoplatinum(II) Complexes with Monovalent Coinage Metal Triflates","Journal of the American Chemical Society","2009","131","","5675","5690","10.1021/ja900449y","","","0.71073","MoKα","","0.0761","0.0517","","","0.1449","0.1608","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104228","11.8953","0.0012","3.743","0.0003","11.61","0.001","90","","90","","90","","516.92","0.08","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","CaFe4As3","","","- As3 Ca Fe4 -","- As3 Ca Fe4 -","- As12 Ca4 Fe16 -","4","0.5","","Iliya Todorov; Duck Young Chung; Christos D. Malliakas; Quing'an Li; Thomas Bakas; Alexios Douvalis; Giancarlo Trimarchi; Kenneth Gray; John F. Mitchell; Arthur J. Freeman; Mercouri G. Kanatzidis","CaFe4As3: A Metallic Iron Arsenide with Anisotropic Magnetic and Charge-Transport Properties","Journal of the American Chemical Society","2009","131","","5405","5407","10.1021/ja900534h","","","0.71073","MoKα","","0.0527","0.0308","","","0.0628","0.0656","","","","","","0.843","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104229","11.8649","0.0006","3.7309","0.0002","11.5611","0.0007","90","","90","","90","","511.77","0.05","100","0.3","100","0.3","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- As3 Ca Fe4 -","- As3 Ca Fe4 -","- As12 Ca4 Fe16 -","4","0.5","","Iliya Todorov; Duck Young Chung; Christos D. Malliakas; Quing'an Li; Thomas Bakas; Alexios Douvalis; Giancarlo Trimarchi; Kenneth Gray; John F. Mitchell; Arthur J. Freeman; Mercouri G. Kanatzidis","CaFe4As3: A Metallic Iron Arsenide with Anisotropic Magnetic and Charge-Transport Properties","Journal of the American Chemical Society","2009","131","","5405","5407","10.1021/ja900534h","","","0.71073","MoKα","","0.052","0.0495","","","0.0909","0.0923","","","","","","1.188","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104230","11.8656","0.0007","3.7322","0.0002","11.5622","0.0007","90","","90","","90","","512.03","0.05","80","0.3","80","0.3","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- As3 Ca Fe4 -","- As3 Ca Fe4 -","- As12 Ca4 Fe16 -","4","0.5","","Iliya Todorov; Duck Young Chung; Christos D. Malliakas; Quing'an Li; Thomas Bakas; Alexios Douvalis; Giancarlo Trimarchi; Kenneth Gray; John F. Mitchell; Arthur J. Freeman; Mercouri G. Kanatzidis","CaFe4As3: A Metallic Iron Arsenide with Anisotropic Magnetic and Charge-Transport Properties","Journal of the American Chemical Society","2009","131","","5405","5407","10.1021/ja900534h","","","0.71073","MoKα","","0.0547","0.0516","","","0.0769","0.0783","","","","","","1.186","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104231","11.852","0.003","3.7352","0.0006","11.549","0.0018","90","","90","","90","","511.27","0.17","15","2","15","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- As3 Ca Fe4 -","- As3 Ca Fe4 -","- As12 Ca4 Fe16 -","4","0.5","","Iliya Todorov; Duck Young Chung; Christos D. Malliakas; Quing'an Li; Thomas Bakas; Alexios Douvalis; Giancarlo Trimarchi; Kenneth Gray; John F. Mitchell; Arthur J. Freeman; Mercouri G. Kanatzidis","CaFe4As3: A Metallic Iron Arsenide with Anisotropic Magnetic and Charge-Transport Properties","Journal of the American Chemical Society","2009","131","","5405","5407","10.1021/ja900534h","","","0.71073","MoKα","","0.0846","0.0724","","","0.1832","0.1999","","","","","","1.316","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104244","26.323","0.004","15.078","0.004","15.509","0.006","90","","90","","90","","6155","3","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C58 H98 B2 K N4 O8 -","- C58 H98 B2 K N4 O8 -","- C232 H392 B8 K4 N16 O32 -","4","0.5","","Kelly E. Krahulic; Heikki M. Tuononen; Masood Parvez; Roland Roesler","Isolation of Free Phenylide-like Carbanions with N-Heterocyclic Carbene Frameworks","Journal of the American Chemical Society","2009","131","","5858","5865","10.1021/ja9001234","","","0.71073","MoKα","","0.1051","0.075","","","0.187","0.2073","","","","","","1.068","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104390","18.9145","0.0007","17.2265","0.0005","10.4262","0.0004","90","","90","","90","","3397.2","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C35 H55 N2 P Ru -","- C35 H56 N2 P Ru -","- C140 H224 N8 P4 Ru4 -","4","0.5","","Halil Aktas; J. Chris Slootweg; Marius Schakel; Andreas W. Ehlers; Martin Lutz; Anthony L. Spek; Koop Lammertsma","N-Heterocyclic Carbene-Functionalized Ruthenium Phosphinidenes: What a Difference a Twist Makes","Journal of the American Chemical Society","2009","131","","6666","6667","10.1021/ja901540h","","","0.71073","MoKα","","0.0408","0.0335","","","0.0817","0.0848","","","","","","1.172","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104432","14.7919","0.0009","16.4575","0.001","9.0123","0.0005","90","","90","","90","","2193.9","0.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","PCy3AuBr3","","","- C18 H33 Au Br3 P -","- C18 H33 Au Br3 P -","- C72 H132 Au4 Br12 P4 -","4","0.5","","Thomas S. Teets; Daniel G. Nocera","Halogen Photoreductive Elimination from Gold(III) Centers","Journal of the American Chemical Society","2009","131","","7411","7420","10.1021/ja9009937","","","0.71073","MoKα","","0.0295","0.0224","","","0.0474","0.0501","","","","","","1.05","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104545","10.7389","0.0004","20.9329","0.0007","20.7871","0.0007","90","","90","","90","","4672.9","0.3","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C44 H30 Ag2 B2 F10 N10 O8 -","- C44 H30 Ag2 B2 F10 N10 O8 -","- C176 H120 Ag8 B8 F40 N40 O32 -","4","0.5","","Ming-Liang Ma; Xiao-Yan Li; Ke Wen","Coordination-Driven Self-Assembly of a Discrete Molecular Cage and an Infinite Chain of Coordination Cages Based on ortho-Linked Oxacalix[2]benzene[2]pyrazine and Oxacalix[2]arene[2]pyrazine","Journal of the American Chemical Society","2009","131","","8338","8339","10.1021/ja900291w","","","0.71073","MoKα","","0.0402","0.0395","","","0.1166","0.1175","","","","","","1.094","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104737","20.987","0.006","22.191","0.006","11.62","0.003","90","","90","","90","","5412","3","198","2","198","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C50 H74 Cl3 Li2 N2 O4 U -","- C50 H74 Cl3 Li2 N2 O4 U -","- C200 H296 Cl12 Li8 N8 O16 U4 -","4","0.5","","Ilia Korobkov; Serge Gorelsky; Sandro Gambarotta","Reduced Uranium Complexes: Synthetic and DFT Study of the Role of π Ligation in the Stabilization of Uranium Species in a Formal Low-Valent State","Journal of the American Chemical Society","2009","131","","10406","10420","10.1021/ja9002525","","","0.71073","MoKα","","0.0839","0.0515","","","0.1283","0.1506","","","","","","1.047","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104760","22.801","0.011","19.793","0.01","3.9073","0.0019","90","","90","","90","","1763.4","1.5","100","2","100","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","diindeno[1,2,3-bc:1',2',3'-ef]corannulene","","- C32 H14 -","- C32 H14 -","- C128 H56 -","4","0.5","","Brian D. Steinberg; Edward A. Jackson; Alexander S. Filatov; Atsushi Wakamiya; Marina A. Petrukhina; Lawrence T. Scott","Aromatic π-Systems More Curved Than C60. The Complete Family of All Indenocorannulenes Synthesized by Iterative Microwave-Assisted Intramolecular Arylations","Journal of the American Chemical Society","2009","131","","10537","10545","10.1021/ja9031852","","","0.71073","Mo-Kα","","0.1779","0.0711","","","0.0956","0.1224","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104845","9.66","0.003","17.181","0.005","18.96","0.006","90","","90","","90","","3146.8","1.7","203","2","203","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H45 B N2 O2 S2 -","- C30 H41 B N2 O2 S2 -","- C120 H164 B4 N8 O8 S8 -","4","0.5","","Shau-Hua Ueng; Andrey Solovyev; Xinting Yuan; Steven J. Geib; Louis Fensterbank; Emmanuel Lacôte; Max Malacria; Martin Newcomb; John C. Walton; Dennis P. Curran","N-Heterocyclic Carbene Boryl Radicals: A New Class of Boron-Centered Radical","Journal of the American Chemical Society","2009","131","","11256","11262","10.1021/ja904103x","","","0.71073","MoKα","","0.1165","0.0911","","","0.2269","0.2337","","","","","","1.754","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4105167","9.327","0.003","15.377","0.005","35.421","0.011","90","","90","","90","","5080","3","300","2","300","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C44 H31 F16 N10 O3 P2 Ru2 S -","- C44 H31 F16 N10 O3 P2 Ru2 S -","- C176 H124 F64 N40 O12 P8 Ru8 S4 -","4","0.5","","Fernando Bozoglian; Sophie Romain; Mehmed Z. Ertem; Tanya K. Todorova; Cristina Sens; Joaquim Mola; Montserrat Rodríguez; Isabel Romero; Jordi Benet-Buchholz; Xavier Fontrodona; Christopher J. Cramer; Laura Gagliardi; Antoni Llobet","The Ru-Hbpp Water Oxidation Catalyst","Journal of the American Chemical Society","2009","131","","15176","15187","10.1021/ja9036127","","","0.71073","MoKα","","0.2306","0.1037","","","0.241","0.3152","","","","","","1.041","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105334","16.468","0.003","19.084","0.004","11.224","0.002","90","","90","","90","","3527.4","1.2","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","6-KetoDipp-Ir(COD)Cl","","","- C38 H52 Cl Ir N2 O2 -","- C38 H52 Cl Ir N2 O2 -","- C152 H208 Cl4 Ir4 N8 O8 -","4","0.5","","Todd W. Hudnall; Christopher W. Bielawski","An N,N'-Diamidocarbene: Studies in C-H Insertion, Reversible Carbonylation, and Transition-Metal Coordination Chemistry","Journal of the American Chemical Society","2009","131","","16039","16041","10.1021/ja907481w","","","0.71073","MoKα","","0.0438","0.0257","","","0.0714","0.1083","","","","","","1.005","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105383","18.625","0.003","26.652","0.004","15.66","0.002","90","","90","","90","","7774","2","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sodium uranyl peroxide oxalate hydrate","","- C12 Na12 O77 U6 -","- C12 Na12 O77 U6 -","- C48 Na48 O308 U24 -","4","0.5","","Ginger E. Sigmon; Jie Ling; Daniel K. Unruh; Laura Moore-Shay; Matthew Ward; Brittany Weaver; Peter C. Burns","Uranyl-Peroxide Interactions Favor Nanocluster Self-Assembly","Journal of the American Chemical Society","2009","131","","16648","16649","10.1021/ja907837u","","","0.71073","MoKα","","0.0912","0.0643","","","0.1678","0.1864","","","","","","1.052","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105384","10.2949","0.0007","19.5235","0.0014","27.0032","0.0019","90","","90","","90","","5427.4","0.7","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Potassium uranyl peroxide oxalate hydrate","","- C10 K10 O53 U5 -","- C10 K10 O53 U5 -","- C40 K40 O212 U20 -","4","0.5","","Ginger E. Sigmon; Jie Ling; Daniel K. Unruh; Laura Moore-Shay; Matthew Ward; Brittany Weaver; Peter C. Burns","Uranyl-Peroxide Interactions Favor Nanocluster Self-Assembly","Journal of the American Chemical Society","2009","131","","16648","16649","10.1021/ja907837u","","","0.71073","MoKα","","0.0423","0.0287","","","0.0759","0.0787","","","","","","0.95","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105568","14.4552","0.0002","8.5295","0.0005","15.6713","0.0004","90","","90","","90","","1932.2","0.13","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","gloria03","gloria03","","- C12 H25 F3 Fe N5 O4 S2 -","- C12 H25 F3 Fe N5 O4 S2 -","- C48 H100 F12 Fe4 N20 O16 S8 -","4","0.5","","Gloria Villar-Acevedo; Elaine Nam; Sarah Fitch; Jason Benedict; John Freudenthal; Werner Kaminsky; Julie A. Kovacs","Influence of Thiolate Ligands on Reductive N-O Bond Activation. Probing the O2-Binding Site of a Biomimetic Superoxide Reductase Analogue and Examining the Proton-Dependent Reduction of Nitrite","Journal of the American Chemical Society","2011","133","","1419","1427","10.1021/ja107551u","","","0.71073","MoKα","","0.0822","0.0514","","","0.1268","0.1413","","","","","","1.025","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105569","13.626","0.0005","8.579","0.0009","15.887","0.001","90","","90","","90","","1857.1","0.2","130","2","130","2","","","","","","","","8","P n m a","-P 2ac 2n","62","575nm","575nm","","- C11 H25 F6 Fe N5 O2 P S -","- C11 H25 F6 Fe N5 O2 P S -","- C44 H100 F24 Fe4 N20 O8 P4 S4 -","4","0.5","","Gloria Villar-Acevedo; Elaine Nam; Sarah Fitch; Jason Benedict; John Freudenthal; Werner Kaminsky; Julie A. Kovacs","Influence of Thiolate Ligands on Reductive N-O Bond Activation. Probing the O2-Binding Site of a Biomimetic Superoxide Reductase Analogue and Examining the Proton-Dependent Reduction of Nitrite","Journal of the American Chemical Society","2011","133","","1419","1427","10.1021/ja107551u","","","0.71073","MoKα","","0.2284","0.0707","","","0.1326","0.1865","","","","","","1.018","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105600","19.6998","0.0006","14.7348","0.0005","15.5859","0.0005","90","","90","","90","","4524.2","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Sc3N@l,2-fullero[80(Ih)]benzyne (5,6 isomer) carbon disulfide disolvate'","","","- C88 H4 N S4 Sc3 -","- C88 H4 N S4 Sc3 -","- C352 H16 N4 S16 Sc12 -","4","0.5","","Fang-Fang Li; Julio R. Pinzón; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch; Luis Echegoyen","[2 + 2] Cycloaddition Reaction to Sc3N@Ih-C80. The Formation of Very Stable [5,6]- and [6,6]-Adducts","Journal of the American Chemical Society","2011","133","","1563","1571","10.1021/ja1097176","","","0.7749","synchrotron","","0.0699","0.0662","","","0.1962","0.2011","","","","","","1.052","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105629","5.5327","0.0003","7.7224","0.0004","5.4112","0.0003","90","","90","","90","","231.2","0.02","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","Calcium Technitium Oxide","","","- Ca O3 Tc -","- Ca O3 Tc -","- Ca4 O12 Tc4 -","4","0.5","","Maxim Avdeev; Gordon J. Thorogood; Melody L. Carter; Brendan J. Kennedy; Jimmy Ting; David J. Singh; Kia S. Wallwork","Antiferromagnetism in a Technetium Oxide. Structure of CaTcO3","Journal of the American Chemical Society","2011","133","","1654","1657","10.1021/ja109431t","powder diffraction","neutron","1.538","neutron","","","","","","","","","9.87","3.8","","","","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105648","5.5373","0.0001","7.7118","0.0002","5.4004","0.0001","90","","90","","90","","230.611","0.008","4","","4","","","","","","","","","3","P n m a","-P 2ac 2n","62","Calcium Technitium Oxide","","","- Ca O3 Tc -","- Ca O3 Tc -","- Ca4 O12 Tc4 -","4","0.5","","Maxim Avdeev; Gordon J. Thorogood; Melody L. Carter; Brendan J. Kennedy; Jimmy Ting; David J. Singh; Kia S. Wallwork","Antiferromagnetism in a Technetium Oxide. Structure of CaTcO3","Journal of the American Chemical Society","2011","133","","1654","1657","10.1021/ja109431t","powder diffraction","neutron","1.885","neutron","","","","","","","","","12.48","4.8","","","","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105769","13.489","0.0007","8.7463","0.0012","15.1258","0.0013","90","0.004","90","0.005","90","0.003","1784.5","0.3","130","2","130","2","","","","","","","","8","P n m a","-P 2ac 2n","62","CDS011","CDS011","","- C11 H26 Co F6 N4 O P S -","- C11 H26 Co F6 N4 O P S -","- C44 H104 Co4 F24 N16 O4 P4 S4 -","4","0.5","","Rodney D. Swartz; Michael K. Coggins; Werner Kaminsky; Julie A. Kovacs","Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates","Journal of the American Chemical Society","2011","133","","3954","3963","10.1021/ja108749f","","","0.71073","MoKα","","0.1203","0.0749","","","0.1521","0.1731","","","","","","1.055","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105795","21.394","0.003","17.58","0.002","13.7909","0.0018","90","","90","","90","","5186.8","1.2","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C90 H4 Cl8 La2 N4 O -","- C90 H4 Cl8 La2 N4 O -","- C360 H16 Cl32 La8 N16 O4 -","4","0.5","","Michio Yamada; Mari Minowa; Satoru Sato; Zdenek Slanina; Takahiro Tsuchiya; Yutaka Maeda; Shigeru Nagase; Takeshi Akasaka","Regioselective Cycloaddition of La2@Ih-C80 with Tetracyanoethylene Oxide: Formation of an Endohedral Dimetallofullerene Adduct Featuring Enhanced Electron-Accepting Character","Journal of the American Chemical Society","2011","133","","3796","3799","10.1021/ja2000243","","x-ray","0.71073","MoKα","","0.1366","0.1182","","","0.2318","0.2409","","","","","","1.144","","","","has coordinates,has disorder","213925","2020-10-21","18:00:00",""
"4105880","10.346","0.002","12.941","0.002","11.634","0.0017","90","","90","","90","","1557.6","0.4","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H22 Er -","- C18 H22 Er -","- C72 H88 Er4 -","4","0.5","","Shang-Da Jiang; Bing-Wu Wang; Hao-Ling Sun; Zhe-Ming Wang; Song Gao","An Organometallic Single-Ion Magnet","Journal of the American Chemical Society","2011","133","","4730","4733","10.1021/ja200198v","","","0.71073","MoKα","","0.025","0.0235","","","0.0607","0.0616","","","","","","1.112","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105881","10.3701","0.0007","12.8625","0.001","11.5956","0.0007","90","","90","","90","","1546.68","0.18","20","2","20","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Er -","- C18 H23 Er -","- C72 H92 Er4 -","4","0.5","","Shang-Da Jiang; Bing-Wu Wang; Hao-Ling Sun; Zhe-Ming Wang; Song Gao","An Organometallic Single-Ion Magnet","Journal of the American Chemical Society","2011","133","","4730","4733","10.1021/ja200198v","","","0.71073","MoKα","","0.0621","0.0522","","","0.1237","0.1292","","","","","","1.081","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105882","10.1588","0.0007","12.8965","0.001","11.7144","0.0008","90","","90","","90","","1534.74","0.19","10","2","10","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Er -","- C18 H23 Er -","- C72 H92 Er4 -","4","0.5","","Shang-Da Jiang; Bing-Wu Wang; Hao-Ling Sun; Zhe-Ming Wang; Song Gao","An Organometallic Single-Ion Magnet","Journal of the American Chemical Society","2011","133","","4730","4733","10.1021/ja200198v","","","0.71073","MoKα","","0.0696","0.0561","","","0.1354","0.1431","","","","","","1.082","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4106047","13.5057","0.0006","16.7235","0.0008","8.9182","0.0004","90","","90","","90","","2014.29","0.16","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H33 Cr N2 P2 -","- C15 H33 Cr N2 P2 -","- C60 H132 Cr4 N8 P8 -","4","0.5","","Khalid Albahily; Yacoob Shaikh; Elena Sebastiao; Sandro Gambarotta; Ilia Korobkov; Serge I. Gorelsky","Vinyl Oxidative Coupling as a Synthetic Route to Catalytically Active Monovalent Chromium","Journal of the American Chemical Society","2011","133","","6388","6395","10.1021/ja201003j","","","0.71073","MoKα","","0.1182","0.0741","","","0.1053","0.1158","","","","","","1.086","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106073","33.1657","0.0018","13.9299","0.0007","10.5431","0.0006","90","","90","","90","","4870.9","0.5","120","2","120","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","(Rb(18-crown-6))2[SbGe7-Ge7Sb] 1en","","- C26 H56 Ge7 N2 O12 Rb2 Sb2 -","- C26 H56 Ge6.99 N2 O12 Rb2 Sb2.01 -","- C104 H224 Ge27.96 N8 O48 Rb8 Sb8.04 -","4","0.5","","Miriam M. Gillett-Kunnath; Allen G. Oliver; Slavi C. Sevov","""n-Doping"" of Deltahedral Zintl Ions","Journal of the American Chemical Society","2011","133","","6560","6562","10.1021/ja200520c","","","0.71073","MoKα","","0.0861","0.0736","","","0.1713","0.1796","","","","","","1.06","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106323","12.47483","0.00015","16.8358","0.00007","9.7775","0.0003","90","","90","","90","","2053.51","0.07","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H27 O4 P W -","- C19 H27 O4 P W -","- C76 H108 O16 P4 W4 -","4","0.5","","Volodymyr Lyaskovskyy; Niels Elders; Andreas W. Ehlers; Martin Lutz; J. Chris Slootweg; Koop Lammertsma","Remarkable Metal-Complexed Phosphorus Analogues of the Cyclopropenylcarbene-Cyclobutadiene Rearrangement","Journal of the American Chemical Society","2011","133","","9704","9707","10.1021/ja203083c","","","0.71073","MoKα","","0.0144","0.0113","","","0.0237","0.0246","","","","","","1.193","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106483","16.4706","0.0001","17.2338","0.0001","17.5333","0.0001","90","","90","","90","","4976.85","0.05","150","","150","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C39 H54 B2 Cl9 Ir N P3 -","- C39 H54 B2 Cl9 Ir N P3 -","- C156 H216 B8 Cl36 Ir4 N4 P12 -","4","0.5","","Michael O'Neill; David A. Addy; Ian Riddlestone; Michael Kelly; Nicholas Phillips; Simon Aldridge","Borane to Boryl Hydride to Borylene Dihydride: Explicit Demonstration of Boron-to-Metal α-Hydride Migration in Aminoborane Activation","Journal of the American Chemical Society","2011","133","","11500","11503","10.1021/ja2050748","","","0.71073","MoKα","","0.0313","0.0247","","0.0676","0.061","0.0676","","","","","","0.9275","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106567","15.989","0.003","11.336","0.002","12.676","0.003","90","","90","","90","","2297.5","0.8","243","2","243","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H34 B F4 N O7 -","- C19 H34 B F4 N O7 -","- C76 H136 B4 F16 N4 O28 -","4","0.5","","Da-Wei Fu; Wen Zhang; Hong-Ling Cai; Yi Zhang; Jia-Zhen Ge; Ren-Gen Xiong; Songping D. Huang","Supramolecular Bola-Like Ferroelectric: 4-Methoxyanilinium Tetrafluoroborate-18-crown-6","Journal of the American Chemical Society","2011","133","","12780","12786","10.1021/ja204540g","","","0.71073","MoKα","","0.054","0.0485","","","0.1224","0.1279","","","","","","1.112","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106786","7.4536","0.0004","4.4838","0.0002","9.5466","0.0004","90","","90","","90","","319.05","0.03","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- D2 Ga Rb -","- D2 Ga Rb -","- D8 Ga4 Rb4 -","4","0.5","","Henrik Fahlquist; Dag Noréus; Samantha Callear; William I. F. David; Björn C. Hauback","Two New Cluster Ions, Ga[GaH3]45- with a Neopentane Structure in Rb8Ga5H15 and [GaH2]nn- with a Polyethylene Structure in Rbn(GaH2)n, Represent a New Class of Compounds with Direct Ga-Ga Bonds Mimicking Common Hydrocarbons","Journal of the American Chemical Society","2011","133","","14574","14577","10.1021/ja2067687","powder diffraction","neutron","1.5556","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.7348","","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4106923","36.0575","0.0014","26.5202","0.0011","28.8726","0.0013","90","","90","","90","","27609","2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 In40 N9 O8 S66 -","- C2 In40 N9 O8 S66 -","- C8 In160 N36 O32 S264 -","4","0.5","","Tao Wu; Fan Zuo; Le Wang; Xianhui Bu; Shou-Tian Zheng; Richard Ma; Pingyun Feng","A Large Indium Sulfide Supertetrahedral Cluster Built from Integration of ZnS-like Tetrahedral Shell with NaCl-like Octahedral Core","Journal of the American Chemical Society","2011","133","","15886","15889","10.1021/ja2066994","","","0.71073","MoKα","","0.1423","0.0845","","","0.2404","0.3276","","","","","","1.011","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4107130","12.4432","0.0007","21.6411","0.0012","10.2993","0.0006","90","","90","","90","","2773.4","0.3","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","2b","","","- C26 H36 Cl3 N2 Ta -","- C26 H36 Cl3 N2 Ta -","- C104 H144 Cl12 N8 Ta4 -","4","0.5","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0684","0.0573","","","0.1428","0.1495","","","","","","1.072","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107134","12.961","0.004","21.687","0.006","10.283","0.003","90","","90","","90","","2890.4","1.5","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","8b","","","- C26 H36 Cl4 N2 Ta -","- C26 H36 Cl4 N2 Ta -","- C104 H144 Cl16 N8 Ta4 -","4","0.5","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0341","0.0293","","","0.0801","0.1019","","","","","","1.256","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107211","5.465","0.002","6.41","0.003","10.984","0.005","90","","90","","90","","384.8","0.3","110","2","110","2","","","","","","","see text","3","P n m a","-P 2ac 2n","62","hydroxyacetone","1-hydroxypropan-2-one","","- C3 H6 O2 -","- C3 H6 O2 -","- C12 H24 O8 -","4","0.5","","Archna Sharma; Igor Reva; Rui Fausto; Susanne Hesse; Zhifeng Xue; Martin A. Suhm; Susanta K. Nayak; R.Sathishkumar; Rumpa Pal; Tayur N. Guru Row","Conformation-Changing Aggregation in Hydroxyacetone: A Combined Low-Temperature FTIR, Jet, and Crystallographic Study","Journal of the American Chemical Society","2011","133","","20194","20207","10.1021/ja2030646","","","0.71073","MoKα","","0.0446","0.0381","","","0.0903","0.093","","","","","","1.097","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107288","16.2719","0.0001","27.306","0.0003","15.1544","0.0004","90","","90","","90","","6733.4","0.2","110","2","110","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C54 H72 F6 I6 P6 Pt3 -","- C54 H72 F6 I6 P6 Pt3 -","- C216 H288 F24 I24 P24 Pt12 -","4","0.5","","Anette Yahav-Levi; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Competitive Aryl-Iodide vs Aryl-Aryl Reductive Elimination Reactions in Pt(IV) Complexes: Experimental and Theoretical Studies","Journal of the American Chemical Society","2008","130","","724","731","10.1021/ja077258a","","","0.71073","MoKα","","0.0485","0.0389","","","0.0897","0.0952","","","","","","1.079","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107301","8.1023","0.0005","15.3441","0.0009","15.9356","0.001","90","","90","","90","","1981.2","0.2","220","2","220","2","","","","","","","","4","P n m a","-P 2ac 2n","62","cmpd 2","Hafnium dimethyl complex","","- C18 H34 Hf N2 -","- C18 H34 Hf N2 -","- C72 H136 Hf4 N8 -","4","0.5","","Wei Zhang; Lawrence R. Sita","Highly Efficient, Living Coordinative Chain-Transfer Polymerization of Propene with ZnEt2: Practical Production of Ultrahigh to Very Low Molecular Weight Amorphous Atactic Polypropenes of Extremely Narrow Polydispersity","Journal of the American Chemical Society","2008","130","","442","443","10.1021/ja078120v","","","0.71073","MoKα","","0.0193","0.0156","","","0.0367","0.0387","","","","","","0.998","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107347","33.4238","0.0017","15.7109","0.0005","10.2231","0.0004","90","","90","","90","","5368.3","0.4","183.1","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H56 Cl13 Cu N7 O5 -","- C35 H56 Cl13 Cu N7 O5 -","- C140 H224 Cl52 Cu4 N28 O20 -","4","0.5","","Kiyoshi Fujisawa; Akira Tateda; Yoshitaro Miyashita; Ken-ichi Okamoto; Florian Paulat; V. K. K. Praneeth; Anna Merkle; Nicolai Lehnert","Structural and Spectroscopic Characterization of Mononuclear Copper(I) Nitrosyl Complexes: End-on versus Side-on Coordination of NO to Copper(I)","Journal of the American Chemical Society","2008","130","","1205","1213","10.1021/ja075071d","","","0.7107","MoKα","","","0.0677","","","","0.0948","","","","","","1.462","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107718","12.0861","0.0012","14.1868","0.0015","7.3728","0.0007","90","","90","","90","","1264.2","0.2","200","2","200","2","","","","","","","chemical synthesis","6","P n m a","-P 2ac 2n","62","","Diaquacobalt Tetracyanopalladate Tetrahydrate","","- C4 H12 Co N4 O6 Pd -","- C4 H12 Co N4 O6 Pd -","- C16 H48 Co4 N16 O24 Pd4 -","4","0.5","","Martina Vondrova; Tyrel M. McQueen; Christine M. Burgess; Douglas M. Ho; Andrew B. Bocarsly","Autoreduction of Pd-Co and Pt-Co Cyanogels: Exploration of Cyanometalate Coordination Chemistry at Elevated Temperatures","Journal of the American Chemical Society","2008","130","","5563","5572","10.1021/ja8009764","","","0.71073","MoKα","","0.0813","0.0531","","0.1449","","0.1263","","","1.064","","","1.153","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107748","12.4012","0.0003","16.6358","0.0006","10.2988","0.0003","90","","90","","90","","2124.68","0.11","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C25 H34 Zr -","- C25 H34 Zr -","- C100 H136 Zr4 -","4","0.5","","Doris Pun; Emil Lobkovsky; Paul J. Chirik","Indenyl Zirconium Dinitrogen Chemistry: N2 Coordination to an Isolated Zirconium Sandwich and Synthesis of Side-on, End-on Dinitrogen Compounds","Journal of the American Chemical Society","2008","130","","6047","6054","10.1021/ja801021w","","","0.71073","MoKα","","0.0455","0.0316","","","0.0742","0.0813","","","","","","1.035","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107756","18.196","0.003","13.135","0.002","7.773","0.001","90","","90","","90","","1857.8","0.5","173.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H22 Cu N7 O2 -","- C26 H40 Cu N11 O2 -","- C104 H160 Cu4 N44 O8 -","4","0.5","","Masato Kujime; Chiemi Izumi; Masaaki Tomura; Masahiko Hada; Hiroshi Fujii","Effect of a Tridentate Ligand on the Structure, Electronic Structure, and Reactivity of the Copper(I) Nitrite Complex: Role of the Conserved Three-Histidine Ligand Environment of the Type-2 Copper Site in Copper-Containing Nitrite Reductases","Journal of the American Chemical Society","2008","130","","6088","6098","10.1021/ja075575b","","","0.7107","MoKα","","","0.0694","","","","0.1679","","","","","","1.729","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107764","9.965","0.004","15.076","0.007","7.497","0.003","90","","90","","90","","1126.3","0.8","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H18 N2 Pt S2 -","- C9 H18 N2 Pt S2 -","- C36 H72 N8 Pt4 S8 -","4","0.5","","Elky Almaraz; Queite A. de Paula; Qin Liu; Joseph H. Reibenspies; Marcetta Y. Darensbourg; Nicholas P. Farrell","Thiolate Bridging and Metal Exchange in Adducts of a Zinc Finger Model and PtII Complexes: Biomimetic Studies of Protein/Pt/DNA Interactions","Journal of the American Chemical Society","2008","130","","6272","6280","10.1021/ja711254q","","","0.71073","MoKα","","0.0567","0.0491","","","0.1257","0.132","","","","","","1.011","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107902","8.9245","0.0002","21.1954","0.0003","7.2904","0.0001","90","","90","","90","","1379.04","0.04","180","2","180","2","","","","","","","","6","P n m a","-P 2ac 2n","62","ODI-tmo 1/1","1,2-DIIODOTETRAFLUOROBENZENE-1,4-THIOMORPHOLINE 1/1","","- C10 H9 F4 I2 N S -","- C10 H9 F4 I2 N S -","- C40 H36 F16 I8 N4 S4 -","4","0.5","","Dominik Cinčić; Tomislav Friščić; William Jones","A Stepwise Mechanism for the Mechanochemical Synthesis of Halogen-Bonded Cocrystal Architectures","Journal of the American Chemical Society","2008","130","","7524","7525","10.1021/ja801164v","","","0.71073","MoKα","","0.0507","0.0386","","","0.0932","0.1107","","","","","","1.263","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107948","13.5516","0.0005","11.7085","0.0004","16.9923","0.0006","90","","90","","90","","2696.15","0.17","180","","180","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C19 H18 Cl4 F3 N4 O5 Rh S -","- C19 H18 Cl4 F3 N4 O5 Rh S -","- C76 H72 Cl16 F12 N16 O20 Rh4 S4 -","4","0.5","","Yves Canac; Christine Lepetit; Mohammed Abdalilah; Carine Duhayon; Remi Chauvin","Diaminocarbene and Phosphonium Ylide Ligands: A Systematic Comparison of their Donor Character","Journal of the American Chemical Society","2008","130","","8406","8413","10.1021/ja801159v","","","0.71073","MoKα","","0.0932","0.0285","","0.064","0.0302","0.0302","","","","","","1.1211","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107951","10.3396","0.0013","12.9085","0.0016","11.7145","0.0014","90","","90","","90","","1563.5","0.3","163","2","163","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Y -","- C18 H23 Y -","- C72 H92 Y4 -","4","0.5","","William J. Evans; Benjamin M. Schmiege; Sara E. Lorenz; Kevin A. Miller; Timothy M. Champagne; Joseph W. Ziller; Antonio G. DiPasquale; Arnold L. Rheingold","Reductive Reactivity of the Organolanthanide Hydrides, [(C5Me5)2LnH]x, Leads to an sa-Allyl Cyclopentadienyl (η5-C5Me4CH2-C5Me4CH2-η3)2- and Trianionic Cyclooctatetraenyl (C8H7)3- Ligands","Journal of the American Chemical Society","2008","130","","8555","8563","10.1021/ja8011726","","","0.71073","MoKα","","0.0378","0.0298","","","0.0694","0.073","","","","","","1.085","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107958","11.662","0.004","33.042","0.011","14.952","0.005","90","","90","","90","","5762","3","220","2","220","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[CB5<0.85TFA]*4.6TFA*4H2O","Semi-circle CB5 trifluoroacetic acid hydrate, CB5*5.45TFA*4H2O","","- C38.9 H38 F16.35 N20 O24.9 -","- C29.7 H30 F2.55 N20 O11.7 -","- C118.8 H120 F10.2 N80 O46.8 -","4","0.5","","Wei-Hao Huang; Peter Y. Zavalij; Lyle Isaacs","Cucurbit[n]uril Formation Proceeds by Step-Growth Cyclo-oligomerization","Journal of the American Chemical Society","2008","130","","8446","8454","10.1021/ja8013693","","","0.71073","MoKα","","0.1051","0.0854","","","0.1724","0.1791","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107974","12.3527","0.0005","15.9319","0.0008","9.9546","0.0005","90","","90","","90","","1959.09","0.16","100","","100","","","","","","","","pentane","5","P n m a","-P 2ac 2n","62","","","","- C13 H35 Fe Li3 O2 -","- C13 H35 Fe Li3 O2 -","- C52 H140 Fe4 Li12 O8 -","4","0.5","","Alois Fürstner; Rubén Martin; Helga Krause; Günter Seidel; Richard Goddard; Christian W. Lehmann","Preparation, Structure, and Reactivity of Nonstabilized Organoiron Compounds. Implications for Iron-Catalyzed Cross Coupling Reactions","Journal of the American Chemical Society","2008","130","","8773","8787","10.1021/ja801466t","","","0.71073","MoKα","","0.0835","0.0497","","","0.1004","0.1138","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108135","16.024","0.006","13.854","0.005","11.651","0.004","90","","90","","90","","2586.5","1.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[(C3H7)4N][C(NH2)3]CO3[B(OH)3]2","","","- C14 H40 B2 N4 O9 -","- C14 H40 B2 N4 O9 -","- C56 H160 B8 N16 O36 -","4","0.5","","Jie Han; Chung-Wah Yau; Chi-Keung Lam; Thomas C. W. Mak","Designed Supramolecular Assembly of Hydrogen-Bonded Anionic Rosette Layers","Journal of the American Chemical Society","2008","130","","10315","10326","10.1021/ja802425q","","","0.71073","MoKα","","0.1214","0.0688","","","0.2183","0.2621","","","","","","1.093","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108153","10.1333","0.0016","6.8285","0.0011","15.7143","0.0016","90","","90","","90","","1087.4","0.3","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H14 B N3 -","- C11 H14 B N3 -","- C44 H56 B4 N12 -","4","0.5","","Shau-Hua Ueng; Malika Makhlouf Brahmi; Étienne Derat; Louis Fensterbank; Emmanuel Lacôte; Max Malacria; Dennis P. Curran","Complexes of Borane and N-Heterocyclic Carbenes: A New Class of Radical Hydrogen Atom Donor","Journal of the American Chemical Society","2008","130","","10082","10083","10.1021/ja804150k","","","0.71073","MoKα","","0.0922","0.0441","","","0.0981","0.1191","","","","","","1.044","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108174","7.4846","0.0005","43.341","0.003","13.6837","0.001","90","","90","","90","","4438.9","0.5","260","1","260","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C60 H45 O1.5 -","- C60 H42 -","- C240 H168 -","4","0.5","","Yao-Ting Wu; Davide Bandera; Roman Maag; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Multiethynyl Corannulenes: Synthesis, Structure, and Properties","Journal of the American Chemical Society","2008","130","","10729","10739","10.1021/ja802334n","","","0.71073","MoKα","","0.1236","0.0819","","","0.2341","0.2663","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108227","13.2337","0.0004","11.8332","0.0003","9.8015","0.0003","90","","90","","90","","1534.89","0.08","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H22 Si2 V -","- C16 H22 Si2 V -","- C64 H88 Si8 V4 -","4","0.5","","Holger Braunschweig; Martin Kaupp; Christopher J. Adams; Thomas Kupfer; Krzysztof Radacki; Sandra Schinzel","Synthesis, Reactivity, and Electronic Structure of [n]Vanadoarenophanes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2008","130","","11376","11393","10.1021/ja802034p","","","0.71073","MoKα","","0.0282","0.0269","","","0.0737","0.0748","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108253","11.3816","0.0016","15.909","0.002","21.281","0.003","90","","90","","90","","3853.3","0.9","180","2","93","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C44 H46 Ag N2 O2 P -","- C44 H46 Ag N2 O2 P -","- C176 H184 Ag4 N8 O8 P4 -","4","0.5","","Vincent César; Noël Lugan; Guy Lavigne","A Stable Anionic N-Heterocyclic Carbene and Its Zwitterionic Complexes","Journal of the American Chemical Society","2008","130","","11286","11287","10.1021/ja804296t","","x-ray","0.71073","MoKα","","0.073","0.0642","","","0.1503","0.1556","","","","","","1.228","","","","has coordinates,has disorder","178828","2020-10-21","18:00:00",""
"4108376","21.7515","0.0003","22.0969","0.0005","10.217","0.0002","90","","90","","90","","4910.71","0.16","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C75 H36 Br N O8 -","- C75 H36 Br N O8 -","- C300 H144 Br4 N4 O32 -","4","0.5","","Gaihong Zhang; Shaohua Huang; Zuo Xiao; Quan Chen; Liangbing Gan; Zheming Wang","Preparation of Azafullerene Derivatives from Fullerene-Mixed Peroxides and Single Crystal X-ray Structures of Azafulleroid and Azafullerene","Journal of the American Chemical Society","2008","130","","12614","12615","10.1021/ja805072h","","","0.71073","MoKα","","0.1147","0.0503","","","0.1201","0.1408","","","","","","0.989","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4108491","7.691","0.0017","14.82","0.003","7.7801","0.0018","90","","90","","90","","886.8","0.3","298","2","298","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd5 Ge4 -","- Gd5 Ge4 -","- Gd20 Ge16 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0439","0.0385","","","0.0831","0.0853","","","","","","1.161","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108492","7.676","0.002","14.787","0.004","7.763","0.002","90","","90","","90","","881.1","0.4","273","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd4 Ge4 Y -","- Gd4.021 Ge4 Y0.979 -","- Gd16.084 Ge16 Y3.916 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0642","0.0461","","","0.0864","0.0917","","","","","","1.104","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108493","7.663","0.003","14.772","0.006","7.748","0.003","90","","90","","90","","877.1","0.6","273","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd3 Ge4 Y2 -","- Gd2.963 Ge4 Y2.037 -","- Gd11.852 Ge16 Y8.148 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0688","0.0485","","","0.0881","0.0937","","","","","","1.154","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108494","7.653","0.004","14.758","0.008","7.741","0.004","90","","90","","90","","874.3","0.8","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd2 Ge4 Y3 -","- Gd1.91 Ge4 Y3.09 -","- Gd7.64 Ge16 Y12.36 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0759","0.0503","","","0.0799","0.0855","","","","","","1.105","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108495","7.6466","0.0012","14.741","0.002","7.7258","0.0012","90","","90","","90","","870.8","0.2","298","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd1.8 Ge4 Y3.2 -","- Gd1.747 Ge4 Y3.253 -","- Gd6.988 Ge16 Y13.012 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0744","0.0493","","","0.0895","0.0977","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108496","7.645","0.002","14.72","0.004","7.72","0.002","90","","90","","90","","868.8","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd1.6 Ge4 Y3.4 -","- Gd1.551 Ge4 Y3.449 -","- Gd6.204 Ge16 Y13.796 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0988","0.0628","","","0.1179","0.1306","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108497","7.638","0.002","14.723","0.004","7.714","0.002","90","","90","","90","","867.5","0.4","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd1.4 Ge4 Y3.6 -","- Gd1.262 Ge4 Y3.738 -","- Gd5.048 Ge16 Y14.952 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0767","0.0524","","","0.0914","0.0974","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108501","7.645","0.003","14.728","0.006","7.711","0.003","90","","90","","90","","868.2","0.6","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd0.6 Ge4 Y4.4 -","- Gd0.618 Ge4 Y4.382 -","- Gd2.472 Ge16 Y17.528 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.1105","0.0611","","","0.1109","0.1305","","","","","","0.979","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108502","7.6365","0.0015","14.713","0.003","7.7051","0.0014","90","","90","","90","","865.7","0.3","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd0.4 Ge4 Y4.6 -","- Gd0.291 Ge4 Y4.709 -","- Gd1.164 Ge16 Y18.836 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.073","0.0437","","","0.0758","0.0837","","","","","","0.989","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108503","7.6361","0.001","14.7135","0.0018","7.7077","0.001","90","","90","","90","","865.99","0.19","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd0.2 Ge4 Y4.8 -","- Gd0.171 Ge4 Y4.829 -","- Gd0.684 Ge16 Y19.316 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0565","0.0423","","","0.0838","0.0908","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108504","7.637","0.002","14.695","0.004","7.711","0.002","90","","90","","90","","865.4","0.4","298","2","298","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ge4 Y5 -","- Ge4 Y5 -","- Ge16 Y20 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0713","0.0482","","","0.0798","0.0854","","","","","","1.072","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108505","7.4823","0.0018","14.738","0.004","7.746","0.0018","90","","90","","90","","854.2","0.4","298","2","298","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd5 Si4 -","- Gd5 Si4 -","- Gd20 Si16 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0433","0.0326","","","0.0591","0.0616","","","","","","1.102","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108506","7.464","0.002","14.708","0.005","7.742","0.002","90","","90","","90","","849.9","0.4","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd4 Si4 Y -","- Gd3.912 Si4 Y1.088 -","- Gd15.648 Si16 Y4.352 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.052","0.0356","","","0.0702","0.0756","","","","","","1.088","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108507","7.435","0.002","14.69","0.004","7.739","0.002","90","","90","","90","","845.3","0.4","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd3 Si4 Y2 -","- Gd2.87 Si4 Y2.13 -","- Gd11.48 Si16 Y8.52 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0651","0.0484","","","0.0912","0.0962","","","","","","1.108","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108508","7.429","0.005","14.696","0.009","7.738","0.005","90","","90","","90","","844.8","0.9","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd2 Si4 Y3 -","- Gd1.967 Si4 Y3.033 -","- Gd7.868 Si16 Y12.132 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0439","0.0351","","","0.0655","0.0678","","","","","","1.094","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108509","7.415","0.004","14.607","0.007","7.713","0.004","90","","90","","90","","835.4","0.7","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd Si4 Y4 -","- Gd0.976 Si4 Y4.024 -","- Gd3.904 Si16 Y16.096 -","4","0.5","","Sumohan Misra; Gordon J. Miller","Gd5-xYxTt4 (Tt = Si or Ge): Effect of Metal Substitution on Structure, Bonding, and Magnetism","Journal of the American Chemical Society","2008","130","","13900","13911","10.1021/ja802848r","","","0.71073","MoKα","","0.0454","0.035","","","0.061","0.0636","","","","","","1.084","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108535","16.243","0.004","6.6352","0.001","13.4943","0.0028","90","","90","","90","","1454.4","0.5","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","MIL-53","","","- C8 H5 Al O5 -","- C12 Al O -","- C48 Al4 O4 -","4","0.5","","Luc Alaerts; Michael Maes; Lars Giebeler; Pierre A. Jacobs; Johan A. Martens; Joeri F. M. Denayer; Christine E. A. Kirschhock; Dirk E. De Vos","Selective Adsorption and Separation of ortho-Substituted Alkylaromatics with the Microporous Aluminum Terephthalate MIL-53","Journal of the American Chemical Society","2008","130","","14170","14178","10.1021/ja802761z","powder diffraction","","","","","","","","","","","","","8.49","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108820","17.646","0.003","14.218","0.003","9.5866","0.0016","90","","90","","90","","2405.2","0.8","173.1","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H38 Fe N2 S -","- C25 H38 Fe N2 S -","- C100 H152 Fe4 N8 S4 -","4","0.5","","Yasuhiro Ohki; Tsubasa Hatanaka; Kazuyuki Tatsumi","C-H Bond Activation of Heteroarenes Mediated by a Half-Sandwich Iron Complex of N-Heterocyclic Carbene","Journal of the American Chemical Society","2008","130","","17174","17186","10.1021/ja8063028","","","0.7107","MoKα","","","0.0281","","","","0.039","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108824","16.603","0.003","13.69","0.003","11.323","0.002","90","","90","","90","","2573.7","0.9","173.1","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C27 H41 B Fe N2 O2 -","- C27 H41 B Fe N2 O2 -","- C108 H164 B4 Fe4 N8 O8 -","4","0.5","","Yasuhiro Ohki; Tsubasa Hatanaka; Kazuyuki Tatsumi","C-H Bond Activation of Heteroarenes Mediated by a Half-Sandwich Iron Complex of N-Heterocyclic Carbene","Journal of the American Chemical Society","2008","130","","17174","17186","10.1021/ja8063028","","","0.7107","MoKα","","","0.0558","","","","0.0712","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108896","21.661","0.003","22.721","0.004","17.128","0.003","90","","90","","90","","8430","2","100","2","100","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C125 H101 -","- C125 H101 -","- C500 H404 -","4","0.5","","Robert D. Kennedy; Alexander L. Ayzner; Darcy D. Wanger; Christopher T Day; Merissa Halim; Saeed I. Khan; Sarah H. Tolbert; Benjamin J. Schwartz; Yves Rubin","Self-Assembling Fullerenes for Improved Bulk-Heterojunction Photovoltaic Devices","Journal of the American Chemical Society","2008","130","","17290","17292","10.1021/ja807627u","","","0.71073","MoKα","","0.1241","0.0758","","","0.1961","0.2391","","","","","","1.021","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108897","18.298","0.005","17.955","0.005","17.352","0.005","90","","90","","90","","5701","3","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C96 H35 Cl3 -","- C96 H35 Cl3 -","- C384 H140 Cl12 -","4","0.5","","Robert D. Kennedy; Alexander L. Ayzner; Darcy D. Wanger; Christopher T Day; Merissa Halim; Saeed I. Khan; Sarah H. Tolbert; Benjamin J. Schwartz; Yves Rubin","Self-Assembling Fullerenes for Improved Bulk-Heterojunction Photovoltaic Devices","Journal of the American Chemical Society","2008","130","","17290","17292","10.1021/ja807627u","","","0.71073","MoKα","","0.1135","0.0769","","","0.2001","0.2282","","","","","","1.057","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108901","18.311","0.005","17.969","0.004","17.344","0.005","90","","90","","90","","5707","3","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C96 H34 S2 -","- C96 H34 S2 -","- C384 H136 S8 -","4","0.5","","Robert D. Kennedy; Alexander L. Ayzner; Darcy D. Wanger; Christopher T Day; Merissa Halim; Saeed I. Khan; Sarah H. Tolbert; Benjamin J. Schwartz; Yves Rubin","Self-Assembling Fullerenes for Improved Bulk-Heterojunction Photovoltaic Devices","Journal of the American Chemical Society","2008","130","","17290","17292","10.1021/ja807627u","","","0.71073","MoKα","","0.0838","0.0629","","","0.1705","0.1892","","","","","","1.025","","","","has coordinates,has disorder","178835","2020-10-21","18:00:00",""
"4108916","11.0377","0.0004","18.4948","0.0008","25.2391","0.0007","90","","90","","90","","5152.3","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C101 H22 N Sc3 -","- C101 H22 N Sc3 -","- C404 H88 N4 Sc12 -","4","0.5","","Chunying Shu; Carla Slebodnick; Liaosa Xu; Hunter Champion; Tim Fuhrer; Ting Cai; Jonathan E. Reid; Wujun Fu; Kim Harich; Harry C. Dorn; Harry W. Gibson","Highly Regioselective Derivatization of Trimetallic Nitride Templated Endohedral Metallofullerenes via a Facile Photochemical Reaction","Journal of the American Chemical Society","2008","130","","17755","17760","10.1021/ja804909t","","x-ray","1.54178","CuKα","","0.1738","0.1281","","","0.3527","0.3839","","","","","","1.329","","","","has coordinates,has disorder","178835","2020-10-21","18:00:00",""
"4108960","6.9339","0.0003","39.6898","0.0005","7.2585","0.0002","90","","90","","90","","1997.58","0.11","293","2","293","2","","","","","","","synthesis as described","3","P n m a","-P 2ac 2n","62","","E,E-2,7-bis((2-phenyl)-ethenyl)-Benzo[2,1-b:3,4-b']dithiophene","","- C26 H18 S2 -","- C26 H18 S2 -","- C104 H72 S8 -","4","0.5","","Yahia Didane; Georg H. Mehl; Atsufumi Kumagai; Noriyuki Yoshimoto; Christine Videlot-Ackermann; Hugues Brisset","A ""Kite"" Shaped Styryl End-Capped Benzo[2,1-b:3,4-b']dithiophene with High Electrical Performances in Organic Thin Film Transistors","Journal of the American Chemical Society","2008","130","","17681","17683","10.1021/ja807504k","","x-ray","0.71073","MoKα","","0.1034","0.0483","","","0.0984","0.1288","","","","","","1.037","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108995","8.555","0.003","26.233","0.008","11.072","0.003","90","","90","","90","","2484.8","1.3","123","2","123","2","","","","","","","","2","P n m a","-P 2ac 2n","62","tetraindenocorannulene","tetraindeno[1,2,3-bc; 1',2',3'-ef; 1'',2'',3''-hi; 1''',2''',3'''-kl]corannulene","","- C44 H18 -","- C44 H18 -","- C176 H72 -","4","0.5","","Edward A. Jackson; Brian D. Steinberg; Mihail Bancu; Atsushi Wakamiya; Lawrence T. Scott","Pentaindenocorannulene and Tetraindenocorannulene: New Aromatic Hydrocarbon π Systems with Curvatures Surpassing That of C60","Journal of the American Chemical Society","2007","129","","484","485","10.1021/ja067487h","","","0.7107","MoKα","","0.0651","0.0582","","","0.1195","0.1235","","","","","","1.193","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4109028","24.044","0.002","18.2218","0.0016","13.8953","0.0012","90","","90","","90","","6087.9","0.9","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C48 H95 O6 P3 Pt3 Re2 -","- C48 H95 O6 P3 Pt3 Re2 -","- C192 H380 O24 P12 Pt12 Re8 -","4","0.5","","Richard D. Adams; Burjor Captain; Chad Beddie; Michael B. Hall","Photoreversible Multiple Additions of Hydrogen to a Highly Unsaturated Platinum-Rhenium Cluster Complex","Journal of the American Chemical Society","2007","129","","986","1000","10.1021/ja067028g","","","0.71073","MoKα","","0.0639","0.0392","","","0.0856","0.0955","","","","","","1.044","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109042","25.5399","0.0006","10.2124","0.0002","11.2987","0.0003","90","","90","","90","","2946.97","0.12","150","1","150","1","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C20 H20 F6 Fe3 N3 O5 P S6 -","- C20 H20 F6 Fe3 N3 O5 P S6 -","- C80 H80 F24 Fe12 N12 O20 P4 S24 -","4","0.5","","I-Jui Hsu; Chung-Hung Hsieh; Shyue-Chu Ke; Kuo-An Chiang; Jenn-Min Lee; Jin-Ming Chen; Ling-Yun Jang; Gene-Hsiang Lee; Yu Wang; Wen-Feng Liaw","New Members of a Class of Iron-Thiolate-Nitrosyl Compounds: Trinuclear Iron-Thiolate-Nitrosyl Complexes Containing Fe3S6 Core","Journal of the American Chemical Society","2007","129","","1151","1159","10.1021/ja065401e","","","0.71073","MoKα","","0.1179","0.0672","","","0.178","0.2186","","","","","","1.117","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109162","10.337","0.0003","9.568","0.0002","9.73","0.0002","90","","90","","90","","962.34","0.04","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C8 H18 Zn -","- C8 H18 Zn -","- C32 H72 Zn4 -","4","0.5","","Janusz Lewiński; Maciej Dranka; Wojciech Bury; Witold Śliwiński; Iwona Justyniak; Janusz Lipkowski","From Discrete Linear ZntBu2 Molecules to 1D Coordination Polymers and 2D Fabrics","Journal of the American Chemical Society","2007","129","","3096","3098","10.1021/ja067229k","","","0.71073","MoKα","","0.0299","0.0259","","","0.0695","0.0714","","","","","","1.188","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109271","7.2536","0.0013","4.603","0.0008","17.521","0.003","90","","90","","90","","585","0.18","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca2 Cd Sb2 -","- Ca2 Cd Sb2 -","- Ca8 Cd4 Sb8 -","4","0.5","","Sheng-qing Xia; Svilen Bobev","Cation-Anion Interactions as Structure Directing Factors: Structure and Bonding of Ca2CdSb2 and Yb2CdSb2","Journal of the American Chemical Society","2007","129","","4049","4057","10.1021/ja069261k","","","0.71073","MoKα","","0.0237","0.0222","","","0.0571","0.0578","","","","","","1.199","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109417","20.463","0.002","13.6577","0.0016","7.9547","0.0009","90","","90","","90","","2223.2","0.4","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H26 B Ir N6 O3 -","- C20 H26 B Ir N6 O3 -","- C80 H104 B4 Ir4 N24 O12 -","4","0.5","","Margarita Gómez; Margarita Paneque; Manuel L. Poveda; Eleuterio Alvarez","Transition Metal Migration upon Attempting the Wolff Rearrangement of an Ir(III) Five-Membered Metallacycle","Journal of the American Chemical Society","2007","129","","6092","6093","10.1021/ja070360n","","","0.71073","MoKα","","0.082","0.0677","","","0.1224","0.1298","","","","","","1.067","","","","has coordinates,has disorder","178840","2020-10-21","18:00:00",""
"4109474","11.81","0.0008","13.3721","0.0009","12.2118","0.0008","90","","90","","90","","1928.5","0.2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H33 N Si Ti -","- C17 H33 N Si Ti -","- C68 H132 N4 Si4 Ti4 -","4","0.5","","Daniel J. Arriola; Marilyn Bokota; Richard E. Campbell; Jerzy Klosin; Robert E. LaPointe; O. David Redwine; Ravi B. Shankar; Francis J. Timmers; Khalil A. Abboud","Penultimate Effect in Ethylene-Styrene Copolymerization and the Discovery of Highly Active Ethylene-Styrene Catalysts with Increased Styrene Reactivity","Journal of the American Chemical Society","2007","129","","7065","7076","10.1021/ja070061y","","","0.71073","MoKα","","0.0398","0.0336","","","0.0951","0.099","","","","","","1.068","","","","has coordinates,has disorder","178840","2020-10-21","18:00:00",""
"4109681","15.5818","0.0017","13.1046","0.0015","9.34","0.001","90","","90","","90","","1907.2","0.4","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H19 Cl N O7 P -","- C17 H19 Cl N O7 P -","- C68 H76 Cl4 N4 O28 P4 -","4","0.5","","Bradley O. Ashburn; Rich G. Carter; Lev N. Zakharov","Synthesis of Tetra-ortho-substituted, Phosphorus-Containing and Carbonyl-Containing Biaryls Utilizing a Diels-Alder Approach","Journal of the American Chemical Society","2007","129","","9109","9116","10.1021/ja071163r","","","0.71073","MoKα","","0.091","0.072","","","0.1978","0.2173","","","","","","1.088","","","","has coordinates,has disorder","178842","2020-10-21","18:00:00",""
"4109857","16.7028","0.0018","20.891","0.002","7.9572","0.0009","90","","90","","90","","2776.6","0.5","90","2","90","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Compound 3","","","- C30 H37 Hg I -","- C30 H37 Hg I -","- C120 H148 Hg4 I4 -","4","0.5","","Zhongliang Zhu; Marcin Brynda; Robert J. Wright; Roland C. Fischer; W. Alexander Merrill; Eric Rivard; Robert Wolf; James C. Fettinger; Marilyn M. Olmstead; Philip P. Power","Synthesis and Characterization of the Homologous M-M Bonded Series Ar'MMAr' (M = Zn, Cd, or Hg; Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) and Related Arylmetal Halides and Hydride Species","Journal of the American Chemical Society","2007","129","","10847","10857","10.1021/ja072682x","","","0.71073","MoKα","","0.0364","0.0302","","","0.0718","0.0753","","","","","","1.118","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109977","23.8193","0.0011","17.1071","0.0008","17.2814","0.0008","90","","90","","90","","7041.8","0.6","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C55 H115 N3 O19 W5 Zr -","- C55 H115 N3 O19 W5 Zr -","- C220 H460 N12 O76 W20 Zr4 -","4","0.5","","R. John Errington; Sagar S. Petkar; Paul S. Middleton; William McFarlane; William Clegg; Robert A. Coxall; Ross W. Harrington","Synthesis and Reactivity of the Methoxozirconium Pentatungstate (nBu4N)6[{(μ-MeO)ZrW5O18}2]: Insights into Proton-Transfer Reactions, Solution Dynamics, and Assembly of {ZrW5O18}2- Building Blocks","Journal of the American Chemical Society","2007","129","","12181","12196","10.1021/ja0725495","","","0.6934","synchrotron","","0.1098","0.0995","","","0.2147","0.2178","","","","","","1.344","","","","has coordinates,has disorder","178845","2020-10-21","18:00:00",""
"4110134","49.557","0.002","28.581","0.0011","27.063","0.0011","90","","90","","90","","38332","3","100","1","100","1","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C246 H253 Cl38 Cu26 Fe13 N10 O2 P65 -","- C246 H226 Cl38 Cu26 Fe13 N10 O2 P65 -","- C984 H904 Cl152 Cu104 Fe52 N40 O8 P260 -","4","0.5","","Manfred Scheer; Andrea Schindler; Roger Merkle; Brian P. Johnson; Michael Linseis; Rainer Winter; Christopher E. Anson; Alexander V. Virovets","Fullerene C60 as an Endohedral Molecule within an Inorganic Supramolecule","Journal of the American Chemical Society","2007","129","","13386","13387","10.1021/ja075926m","","","0.71073","MoKα","","0.2575","0.1115","","","0.3187","0.3917","","","","","","0.997","","","","has coordinates,has disorder","178872","2020-10-21","18:00:00",""
"4110202","20.044","0.004","7.464","0.0016","8.63","0.002","90","","90","","90","","1291.1","0.5","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","guanidinium 2,3,4-trimethylbenzenesulfonate","","","- C10 H17 N3 O3 S -","- C10 H17 N3 O3 S -","- C40 H68 N12 O12 S4 -","4","0.5","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.1051","0.0474","","","0.1142","0.1311","","","","","","0.96","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110203","18.513","0.002","7.4798","0.0008","9.3991","0.001","90","","90","","90","","1301.5","0.2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","guanidinium 2,4,5-trimethylbenzenesulfonate","","","- C10 H17 N3 O3 S -","- C10 H17 N3 O3 S -","- C40 H68 N12 O12 S4 -","4","0.5","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0402","0.035","","","0.0917","0.0946","","","","","","1.103","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110205","16.621","0.003","7.4457","0.0015","9.6016","0.0019","90","","90","","90","","1188.2","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","guanidinium 2,5-dimethylbenzenesulfonate","","","- C9 H15 N3 O3 S -","- C9 H15 N3 O3 S -","- C36 H60 N12 O12 S4 -","4","0.5","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0557","0.0432","","","0.114","0.1223","","","","","","1.043","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110209","16.315","0.002","7.5145","0.001","9.2773","0.0013","90","","90","","90","","1137.4","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","guanidinium 2-fluorobenzenesulfonate","","","- C8 H13 N3 O3 S -","- C8 H13 N3 O3 S -","- C32 H52 N12 O12 S4 -","4","0.5","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0472","0.0402","","","0.0938","0.0967","","","","","","1.122","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110210","18.695","0.003","7.3907","0.001","8.5401","0.0012","90","","90","","90","","1180","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","guanidinium 3,4-dimethylbenzenesulfonate","","","- C9 H15 N3 O3 S -","- C9 H15 N3 O3 S -","- C36 H60 N12 O12 S4 -","4","0.5","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0871","0.0502","","","0.1239","0.1367","","","","","","1.084","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110230","22.527","0.005","7.555","0.005","6.765","0.005","90","0.005","90","0.005","90","0.005","1151.3","1.2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H10 I N3 O3 S -","- C7 H10 I N3 O3 S -","- C28 H40 I4 N12 O12 S4 -","4","0.5","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71069","MoKα","","0.0492","0.0394","","","0.0851","0.0908","","","","","","1.14","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110250","18.344","0.004","12.128","0.002","15.01","0.003","90","","90","","90","","3339.4","1.1","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C26 H32 Cl11 Sb -","- C26 H32 Cl12 Sb -","- C104 H128 Cl48 Sb4 -","4","0.5","","Akira Matsuura; Tohru Nishinaga; Koichi Komatsu","Structural Studies on the Radical Cations of Benzene, Naphthalene, Biphenylene, and Anthracene Fully Annelated with Bicyclo[2.2.2]octene Frameworks [J.Am. Chem.Soc.2000,122, 10007-10016].","Journal of the American Chemical Society","2007","129","","14830","14830","10.1021/ja077519g","","","0.71073","MoKα","","0.0425","0.036","","","0.0945","0.098","","","","","","1.045","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110384","20.502","0.004","17.404","0.004","12.656","0.003","90","","90","","90","","4515.9","1.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[Et4N]3[Fe(II)(CN)5py] 6H2O","tris-tetraethylammonium Iron(II)pentacyanidepyridine","","- C34 H77 Fe N9 O6 -","- C34 H56 Fe N9 O6 -","- C136 H224 Fe4 N36 O24 -","4","0.5","","Gina M. Chiarella; Doris Y. Melgarejo; Stephen A. Koch","Further Study of the Reaction of Fe2+ with CN-: Synthesis and Characterization of cis and trans[FeII,III(CN)4L2]n- Complexes","Journal of the American Chemical Society","2006","128","","1416","1417","10.1021/ja0571951","","x-ray","0.71073","MoKα","","0.1276","0.0696","","","0.2","0.2379","","","","","","0.938","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110441","15.5666","0.0013","14.8684","0.0014","15.84","0.003","90","","90","","90","","3666.2","0.8","293","","293","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C38 H51 Br N P2 Rh -","- C38 H51 Br N P2 Rh -","- C152 H204 Br4 N4 P8 Rh4 -","4","0.5","","Sylvain Gatard; Remle Çelenligil-Çetin; Chengyun Guo; Bruce M. Foxman; Oleg V. Ozerov","Carbon-Halide Oxidative Addition and Carbon-Carbon Reductive Elimination at a (PNP)Rh Center","Journal of the American Chemical Society","2006","128","","2808","2809","10.1021/ja057948j","","","0.71073","MoKα","","0.104","0.0433","","0.092","0.0426","0.0426","","","","","","1.1163","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110499","13.367","0.005","15.164","0.005","19.145","0.005","90","0.005","90","0.005","90","0.005","3881","2","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","[Et4N][Mo(Cl)(PPh3)(mnt)2].CH2Cl2","","- C35 H37 Cl3 Mo N5 P S4 -","- C35 H37 Cl3 Mo N5 P S4 -","- C140 H148 Cl12 Mo4 N20 P4 S16 -","4","0.5","","Amit Majumdar; Kuntal Pal; Sabyasachi Sarkar","Chemistry of [Et4N][MoIV(SPh)(PPh3)(mnt)2] as an Analogue of Dissimilatory Nitrate Reductase with Its Inactivation on Substitution of Thiolate by Chloride","Journal of the American Chemical Society","2006","128","","4196","4197","10.1021/ja0586135","","","0.71069","MoKα","","0.0924","0.0721","","","0.1841","0.1971","","","","","","1.033","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110602","6.801","0.0014","25.729","0.005","11.498","0.002","90","","90","","90","","2012","0.7","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H14 F6 O6 -","- C20 H14 F6 O6 -","- C80 H56 F24 O24 -","4","0.5","","Bryan K. Spraul; S. Suresh; Jianyong Jin; Dennis W. Smith","Synthesis and Electronic Factors in Thermal Cyclodimerization of Functionalized Aromatic Trifluorovinyl Ethers","Journal of the American Chemical Society","2006","128","","7055","7064","10.1021/ja0600227","","","0.71073","MoKα","","0.0902","0.0855","","","0.2147","0.2189","","","","","","1.175","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110686","21.5681","0.0008","13.868","0.0005","16.4697","0.0006","90","","90","","90","","4926.2","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H41 B11 I11 N -","- C25 H44.22 B11 I11 N2 -","- C100 H176.88 B44 I44 N8 -","4","0.5","","Evgenii S. Stoyanov; Kee-Chan Kim; Christopher A. Reed","An Infrared νNH Scale for Weakly Basic Anions. Implications for Single-Molecule Acidity and Superacidity","Journal of the American Chemical Society","2006","128","","8500","8508","10.1021/ja060714v","","","0.71073","MoKα","","0.0379","0.0304","","","0.0676","0.0697","","","","","","1.066","","","","has coordinates,has disorder","178877","2020-10-21","18:00:00",""
"4110715","8.8336","0.0005","2.83387","0.00018","10.6535","0.0007","90","","90","","90","","266.69","0.03","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Li0.46 Mn O2 -","- Li0.458335 Mn O2 -","- Li3.66668 Mn8 O16 -","8","1","","Kazunari Yamaura; Qingzhen Huang; Lianqi Zhang; Kazunori Takada; Yuji Baba; Takuro Nagai; Yoshio Matsui; Kosuke Kosuda; Eiji Takayama-Muromachi","Spinel-to-CaFe2O4-Type Structural Transformation in LiMn2O4 under High Pressure","Journal of the American Chemical Society","2006","128","","9448","9456","10.1021/ja0612302","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","178878","2020-10-21","18:00:00",""
"4110814","11.884","0.003","5.237","0.001","7.808","0.002","90","","90","","90","","485.9","0.2","","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","bismuth copper oxide vanado-phosphate","","","- Bi Cu2 O6 P0.32 V0.68 -","- Bi Cu2 O6 P0.679 V0.321 -","- Bi4 Cu8 O24 P2.716 V1.284 -","4","0.5","","Olivier Mentré; El Mostafa Ketatni; Marie Colmont; Marielle Huvé; Francis Abraham; Vaclav Petricek","Structural Features of the Modulated BiCu2(P1-xVx)O6 Solid Solution; 4-D Treatment of x=0.87 Compound and Magnetic Spin-Gap to Gapless Transition in New Cu2+ Two-Leg Ladder Systems","Journal of the American Chemical Society","2006","128","","10857","10867","10.1021/ja0631091","","","0.71073","MoKα","","0.0315","0.0266","","","0.0251","0.0257","","","","1.98","1.98","1.93","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110815","11.9736","0.0002","5.28702","0.00008","7.80964","0.00014","90","","90","","90","","494.387","0.014","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","bismuth copper oxide vanado-phosphate","","","- Bi Cu2 O6 P0.4 V0.6 -","- Bi Cu2 O6 P0.4 V0.6 -","- Bi4 Cu8 O24 P1.6 V2.4 -","4","0.5","","Olivier Mentré; El Mostafa Ketatni; Marie Colmont; Marielle Huvé; Francis Abraham; Vaclav Petricek","Structural Features of the Modulated BiCu2(P1-xVx)O6 Solid Solution; 4-D Treatment of x=0.87 Compound and Magnetic Spin-Gap to Gapless Transition in New Cu2+ Two-Leg Ladder Systems","Journal of the American Chemical Society","2006","128","","10857","10867","10.1021/ja0631091","powder diffraction","neutron","1.909","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.8946","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110966","12.6185","0.0002","21.3367","0.0003","10.431","0.0001","90","","90","","90","","2808.41","0.07","173","1","173","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H40 Cl2 Fe N2 -","- C28 H40 Cl2 Fe N2 -","- C112 H160 Cl8 Fe4 N8 -","4","0.5","","Gwendal Kervern; Guido Pintacuda; Yong Zhang; Eric Oldfield; Charbel Roukoss; Emile Kuntz; Eberhardt Herdtweck; Jean-Marie Basset; Sylvian Cadars; Anne Lesage; Christophe Copéret; Lyndon Emsley","Solid-State NMR of a Paramagnetic DIAD-FeII Catalyst: Sensitivity, Resolution Enhancement, and Structure-Based Assignments","Journal of the American Chemical Society","2006","128","","13545","13552","10.1021/ja063510n","","","0.71073","MoKα","","0.0358","0.033","","","0.0704","0.0716","","","","","","1.167","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4111149","12.78","0.003","25.035","0.006","15.34","0.004","90","","90","","90","","4908","2","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Sublimed p-tBu-calix5arene","","","- C27.5 H35 O2.5 -","- C27.505 H35.15 O2.5 -","- C220.04 H281.2 O20 -","8","1","","Praveen K. Thallapally; Scott J. Dalgarno; Jerry L. Atwood","Frustrated Organic Solids Display Unexpected Gas Sorption","Journal of the American Chemical Society","2006","128","","15060","15061","10.1021/ja065499x","","","0.71073","MoKα","","0.1874","0.0918","","","0.1675","0.2005","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111460","9.5911","0.0004","38.692","0.002","5.0505","0.0002","90","","90","","90","","1874.23","0.14","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","0.5","","Hegui Gong; Michael J. Krische","Duplex Molecular Strands Based on the 3,6-Diaminopyridazine Hydrogen Bonding Motif: Amplifying Small-Molecule Self-Assembly Preferences through Preorganization and Iterative Arrangement of Binding Residues","Journal of the American Chemical Society","2005","127","","1719","1725","10.1021/ja044566p","","","0.71073","MoKα","","0.0832","0.0452","","","0.0987","0.1148","","","","","","1.019","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111484","25.912","0.005","17.308","0.004","9.044","0.0018","90","","90","","90","","4056.1","1.5","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","tris-(μ-2-Di-t-butylphosphido)-tricarbonyl-triangulo-tri-platinum(i,i,ii) trifluoromethanesulfonate","","- C28 H54 F3 O6 P3 Pt3 S -","- C28 H55 F3 O6 P3 Pt3 S -","- C112 H220 F12 O24 P12 Pt12 S4 -","4","0.5","","Fabrizia Fabrizi de Biani; Andrea Ienco; Franco Laschi; Piero Leoni; Fabio Marchetti; Lorella Marchetti; Carlo Mealli; Piero Zanello","Formation and Characterization of the Hexanuclear Platinum Cluster [Pt~6~(μ-P-t-Bu~2~)~4~(CO)~6~](CF~3~SO~3~)~2~ through Structural, Electrochemical and Computational Analyses","Journal of the American Chemical Society","2005","127","","3076","3089","10.1021/ja043626o","","","0.71073","MoKα","","0.11","0.0556","","","0.112","0.1364","","","","","","1.03","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111522","18.375","0.002","20.171","0.004","10.0747","0.0009","90","","90","","90","","3734.1","0.9","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C40 H54 Al Cl N2 O Zr -","- C40 H54 Al Cl N2 O Zr -","- C160 H216 Al4 Cl4 N8 O4 Zr4 -","4","0.5","","Guangcai Bai; Sanjay Singh; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt","Mononuclear Aluminum Hydroxide for the Design of Well-Defined Homogeneous Catalysts","Journal of the American Chemical Society","2005","127","","3449","3455","10.1021/ja043585w","","","0.71073","MoKα","","0.0404","0.0364","","","0.0945","0.0987","","","","","","1.061","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111597","25.588","0.005","15.086","0.003","7.1553","0.0014","90","","90","","90","","2762.1","0.9","153","2","153","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C23 H12 Al B Cl4 F10 N2 -","- C23 H12 Al B Cl4 F10 N2 -","- C92 H48 Al4 B4 Cl16 F40 N8 -","4","0.5","","Dragoslav Vidovic; Jennifer A. Moore; Jamie N. Jones; Alan H. Cowley","Synthesis and Characterization of a Coordinated Oxoborane: Lewis Acid Stabilization of a Boron-Oxygen Double Bond","Journal of the American Chemical Society","2005","127","","4566","4567","10.1021/ja0507564","","","0.71073","MoKα","","0.1843","0.079","","","0.1879","0.2443","","","","","","1.045","","","","has coordinates","189844","2020-10-21","18:00:00",""
"4111683","19.5045","0.0014","6.178","0.0004","8.4794","0.0006","90","","90","","90","","1021.76","0.12","90","2","90","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Red Tl[Pt(CN)~2~(C~4~H~9~N~4~)]","","","- C6 H9 N6 Pt Tl -","- C6 H9 N6 Pt Tl -","- C24 H36 N24 Pt4 Tl4 -","4","0.5","","Jay R. Stork; Marilyn M. Olmstead; Alan L. Balch","Polymorphs with Varying Platinum(II)-Thallium(I) Interactions","Journal of the American Chemical Society","2005","127","","6512","6513","10.1021/ja050014a","","","0.71073","MoKα","","0.0364","0.0283","","","0.0739","0.0784","","","","","","1.075","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111858","11.171","0.004","25.098","0.009","3.8852","0.0013","90","","90","","90","","1089.3","0.7","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","H-T5-H","","","- C12 H4 S5 -","- C12 H4 S5 -","- C48 H16 S20 -","4","0.5","","Xinnan Zhang; Adrien P. Côté; Adam J. Matzger","Synthesis and Structure of Fused α-Oligothiophenes with up to Seven Rings","Journal of the American Chemical Society","2005","127","","10502","10503","10.1021/ja053326m","","","0.71073","MoKα","","0.1344","0.1033","","","0.223","0.2358","","","","","","1.142","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111864","35.9775","0.0016","14.273","0.0006","11.9582","0.0005","90","","90","","90","","6140.6","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","4(Et4N+)8[C(NH2)3+]3[(CO3)2-]3[(C2O4)2-]2(H2O)","","- C44 H124 N16 O28 -","- C29 H50 N26 O19 -","- C116 H200 N104 O76 -","4","0.5","","Chi-Keung Lam; Feng Xue; Jie-Peng Zhang; Xiao-Ming Chen; Thomas C. W. Mak","Hydrogen-Bonded Anionic Rosette Networks Assembled with Guanidinium and C3-Symmetric Oxoanion Building Blocks","Journal of the American Chemical Society","2005","127","","11536","11537","10.1021/ja050221a","","","0.71073","MoKα","","0.141","0.1013","","","0.2789","0.2935","","","","","","1.939","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111964","11.2909","0.0008","13.7659","0.001","13.924","0.001","90","","90","","90","","2164.2","0.3","133","2","133","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H23 Cl3 Ir N O5 -","- C17 H23 Cl3 Ir N O5 -","- C68 H92 Cl12 Ir4 N4 O20 -","4","0.5","","William J. Tenn; Kenneth J. H. Young; Gaurav Bhalla; Jonas Oxgaard; William A. Goddard; Roy A. Periana","CH Activation with an O-Donor Iridium-Methoxo Complex","Journal of the American Chemical Society","2005","127","","14172","14173","10.1021/ja051497l","","","0.71073","MoKα","","0.0246","0.022","","","0.066","0.0672","","","","","","1.06","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111987","13.847","0.0016","14.3366","0.0016","9.9933","0.0011","90","","90","","90","","1983.9","0.4","193","2","193","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H12 F6 N2 O8 Rh2 -","- C12 H12 F6 N2 O8 Rh2 -","- C48 H48 F24 N8 O32 Rh8 -","4","0.5","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.0571","0.0541","","","0.1101","0.1113","","","","","","1.331","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4112069","7.6761","0.0017","15.565","0.003","8.0602","0.0017","90","","90","","90","","963","0.3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3.82 Ge4 La1.18 -","- Ca3.82 Ge4 La1.18 -","- Ca15.28 Ge16 La4.72 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0781","0.0664","","","0.1178","0.1221","","","","","","1.235","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112070","7.673","0.0008","15.5512","0.0017","8.0813","0.0009","90","","90","","90","","964.3","0.18","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3.66 Ge3 La1.34 -","- Ca3.656 Ge4 La1.344 -","- Ca14.624 Ge16 La5.376 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0336","0.0331","","","0.0683","0.0684","","","","","","1.429","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112071","7.669","0.002","15.525","0.004","8.084","0.002","90","","90","","90","","962.5","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3.37 Ge4 La1.63 -","- Ca3.368 Ge4 La1.632 -","- Ca13.472 Ge16 La6.528 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0478","0.0468","","","0.1037","0.1042","","","","","","1.367","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112072","7.6358","0.0006","15.4222","0.0011","8.0475","0.0006","90","","90","","90","","947.68","0.12","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca1.74 Ce3.26 Ge4 -","- Ca3.26 Ce1.74 Ge4 -","- Ca13.04 Ce6.96 Ge16 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0217","0.0207","","","0.042","0.0425","","","","","","1.341","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112073","7.6424","0.0009","15.4218","0.0019","8.0494","0.001","90","","90","","90","","948.7","0.2","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3.2 Ce1.8 Ge4 -","- Ca3.202 Ce1.798 Ge4 -","- Ca12.808 Ce7.192 Ge16 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0252","0.0233","","","0.0458","0.0467","","","","","","1.197","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112074","7.6453","0.001","15.423","0.002","8.0632","0.0011","90","","90","","90","","950.8","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3 Ce2 Ge4 -","- Ca3.006 Ce1.994 Ge4 -","- Ca12.024 Ce7.976 Ge16 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0191","0.019","","","0.042","0.042","","","","","","1.393","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112077","12.721","0.005","12.151","0.005","10.959","0.004","90","","90","","90","","1694","1.1","110","2","110","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C13 H18 N2 Ni O4 S2 W -","- C13 H18 N2 Ni O4 S2 W -","- C52 H72 N8 Ni4 O16 S8 W4 -","4","0.5","","Marilyn V. Rampersad; Stephen P. Jeffery; Melissa L. Golden; Jonghyuk Lee; Joseph H. Reibenspies; Donald J. Darensbourg; Marcetta Y. Darensbourg","Characterization of Steric and Electronic Properties of NiN2S2 Complexes as S-Donor Metallodithiolate Ligands","Journal of the American Chemical Society","2005","127","","17323","17334","10.1021/ja055051g","","","0.71073","MoKα","","0.08","0.0719","","","0.1781","0.1842","","","","","","1.099","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112080","13.397","0.004","12.386","0.004","11.005","0.003","90","","90","","90","","1826.1","0.9","110","2","110","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H20 N2 Ni O4 S2 W -","- C14 H20 N2 Ni O4 S2 W -","- C56 H80 N8 Ni4 O16 S8 W4 -","4","0.5","","Marilyn V. Rampersad; Stephen P. Jeffery; Melissa L. Golden; Jonghyuk Lee; Joseph H. Reibenspies; Donald J. Darensbourg; Marcetta Y. Darensbourg","Characterization of Steric and Electronic Properties of NiN2S2 Complexes as S-Donor Metallodithiolate Ligands","Journal of the American Chemical Society","2005","127","","17323","17334","10.1021/ja055051g","","","0.71073","MoKα","","0.0279","0.0271","","","0.0598","0.0603","","","","","","1.117","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112122","28.8687","0.001","17.4304","0.0004","12.8504","0.0004","90","","90","","90","","6466.2","0.3","296.1","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C30 H60 Cl7 Cu7 Fe N6 S12 -","- C30 H60 Cl7 Cu7 Fe N6 S12 -","- C120 H240 Cl28 Cu28 Fe4 N24 S48 -","4","0.5","","Takashi Okubo; Ryo Kawajiri; Tadaoki Mitani; Tatsuya Shimoda","A Mixed-Valence Coordination Polymer Featuring Two-Dimensional Ferroelectric Order: {[CuI4CuII(Et2dtc)2Cl3][CuII(Et2dtc)2]2(FeCl4)}n (Et2dtc-= diethyldithiocarbamate)","Journal of the American Chemical Society","2005","127","","17598","17599","10.1021/ja056030p","","","0.71069","MoKα","","","0.0743","","","","0.1829","","","","","","1.657","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112240","19.3966","0.0003","13.7062","0.0002","9.916","0.0001","90","","90","","90","","2636.21","0.06","143","2","143","2","","","","","","","","4","P n m a","-P 2ac 2n","62","[PVi4]+[BPh4]-","","","- C32 H32 B P -","- C32 H32 B P -","- C128 H128 B4 P4 -","4","0.5","","Uwe V. Monkowius; Stefan D. Nogai; Hubert Schmidbaur","The Tetra(vinyl)phosphonium Cation [(CH2CH)4P]+","Journal of the American Chemical Society","2004","126","","1632","1633","10.1021/ja0399019","","","0.71073","MoKα","","0.0524","0.0496","","","0.1229","0.125","","","","","","1.071","","","","has coordinates,has disorder","178893","2020-10-21","18:00:00",""
"4112252","12.887","0.0004","16.9003","0.0005","14.1618","0.0004","90","","90","","90","","3084.36","0.16","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H51 N2 P2 Re Si2 -","- C24 H51 N2 P2 Re Si2 -","- C96 H204 N8 P8 Re4 Si8 -","4","0.5","","Oleg V. Ozerov; Maren Pink; Lori A. Watson; Kenneth G. Caulton","Aromatic vs Aliphatic C-H Cleavage of Alkyl-Substituted Pyridines by (PNPiPr)Re Compounds","Journal of the American Chemical Society","2004","126","","2105","2113","10.1021/ja036999i","","","0.71073","MoKα","","0.016","0.0146","","","0.0379","0.0386","","","","","","1.106","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4112432","8.5003","0.0006","14.3615","0.001","17.5727","0.0013","90","","90","","90","","2145.2","0.3","123","2","123","2","","","","","","","chemical synthesis","5","P n m a","-P 2ac 2n","62","","Potassium 18-crown-6 nitrobenzenide","","- C18 H29 K N O8 -","- C18 H29 K N O8 -","- C72 H116 K4 N4 O32 -","4","0.5","","Milya G. Davlieva; Jian-Ming Lü; Sergey V. Lindeman; Jay K. Kochi","Crystallographic Distinction between ""Contact"" and ""Separated"" Ion Pairs: Structural Effects on Electronic/ESR Spectra of Alkali-Metal Nitrobenzenides","Journal of the American Chemical Society","2004","126","","4557","4565","10.1021/ja049856k","","","0.71073","MoKα","","0.0659","0.048","","0.1494","0.1222","","","","1.064","1.081","1.081","","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112749","15.7564","0.0006","10.855","0.0009","6.9155","0.0012","90","","90","","90","","1182.8","0.2","223","2","223","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C5.5 H11.5 N0.5 -","- C5.5 H11.5 N0.5 -","- C44 H92 N4 -","8","1","","Vincent Lavallo; John Mafhouz; Yves Canac; Bruno Donnadieu; Wolfgand W. Schoeller","Synthesis, Reactivity, and Ligand Properties of a Stable Alkyl Carbene","Journal of the American Chemical Society","2004","126","","8670","8671","10.1021/ja047503f","","","0.71073","","","0.0609","0.0495","","","0.1326","0.1469","","","","","","1.04","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112851","10.055","0.005","10.268","0.005","19.814","0.005","90","0.005","90","0.005","90","0.005","2045.7","1.5","100","2","100","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C27 H37 -","- C27 H37 -","- C108 H148 -","4","0.5","","Toshikazu Kitagawa; Kohei Ogawa; Koichi Komatsu","Spin-Localized Cyclopentadienyl Radical Annelated with Homoadamantene Frameworks: Isolation, X-ray Crystal Structure, and ESR Characterization","Journal of the American Chemical Society","2004","126","","9930","9931","10.1021/ja046617o","","","0.71069","MoKα","","0.0784","0.0408","","","0.0621","0.0665","","","","","","1.002","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112868","14.1108","0.0002","12.2418","0.0003","14.0009","0.0001","90","","90","","90","","2418.54","0.07","143","1","143","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H37 Mo P2 Si -","- C22 H37 Mo P2 Si -","- C88 H148 Mo4 P8 Si4 -","4","0.5","","Benjamin V. Mork; T. Don Tilley; Arthur J. Schultz; John A. Cowan","Silylene Hydride Complexes of Molybdenum with Silicon-Hydrogen Interactions: Neutron Structure of (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2)","Journal of the American Chemical Society","2004","126","","10428","10440","10.1021/ja040026g","","","0.71073","MoKα","","0.041","0.0301","","0.0798","0.0759","","","","0.911","0.978","0.978","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112878","13.21","0.003","13.543","0.003","5.9072","0.0012","90","","90","","90","","1056.8","0.4","180","2","180","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H2 K3 O10 Si3 Tb -","- H2 K3 O10 Si3 Tb -","- H8 K12 O40 Si12 Tb4 -","4","0.5","","Duarte Ananias; Mariya Kostova; Filipe A. Almeida Paz; Artur Ferreira; Luís D. Carlos; Jacek Klinowski; João Rocha","Photoluminescent Layered Lanthanide Silicates","Journal of the American Chemical Society","2004","126","","10410","10417","10.1021/ja047905n","","","0.71073","MoKα","","0.0408","0.0339","","","0.0838","0.0876","","","","","","1.085","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112879","13.1526","0.0003","13.5228","0.0003","5.8676","0.0002","90","","90","","90","","1043.61","0.05","293","2","298","","","","","","","","synthesis as described in the paper","5","P n m a","-P 2ac 2n","62","","Tripotassium erbium triorthosilicate","","- Er H2 K3 O10 Si3 -","- Er H2 K3 O10 Si3 -","- Er4 H8 K12 O40 Si12 -","4","0.5","","Duarte Ananias; Mariya Kostova; Filipe A. Almeida Paz; Artur Ferreira; Luís D. Carlos; Jacek Klinowski; João Rocha","Photoluminescent Layered Lanthanide Silicates","Journal of the American Chemical Society","2004","126","","10410","10417","10.1021/ja047905n","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0574","2.76","","","","","","","has coordinates","213922","2020-10-21","18:00:00",""
"4112880","13.2462","0.0002","13.6103","0.0003","5.9436","0.0002","90","","90","","90","","1071.54","0.05","293","2","298","","","","","","","","synthesis as described in the paper","5","P n m a","-P 2ac 2n","62","","Tripotassium europium triorthosilicate","","- Eu H2 K3 O10 Si3 -","- Eu H2 K3 O10 Si3 -","- Eu4 H8 K12 O40 Si12 -","4","0.5","","Duarte Ananias; Mariya Kostova; Filipe A. Almeida Paz; Artur Ferreira; Luís D. Carlos; Jacek Klinowski; João Rocha","Photoluminescent Layered Lanthanide Silicates","Journal of the American Chemical Society","2004","126","","10410","10417","10.1021/ja047905n","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0952","6.7","","","","","","","has coordinates","213922","2020-10-21","18:00:00",""
"4113120","27.6536","0.0012","35.0945","0.0013","20.6","0.0008","90","","90","","90","","19992.1","1.4","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Compound DL098","","","- C54 H198 K N9 Na2 O168 W36 -","- C51 H115.5 K N8.5 Na2 O167.8 W36 -","- C204 H462 K4 N34 Na8 O671.2 W144 -","4","0.5","","De-Liang Long; Hamera Abbas; Paul Kögerler; Leroy Cronin","A High-Nuclearity ""Celtic-Ring"" Isopolyoxotungstate, [H12W36O120]12-, That Captures Trace Potassium Ions","Journal of the American Chemical Society","2004","126","","13880","13881","10.1021/ja046410v","","","0.71073","MoKα","","0.1475","0.0571","","","0.0988","0.122","","","","","","0.989","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113177","14.6777","0.0004","25.7698","0.0007","9.1906","0.0002","90","","90","","90","","3476.27","0.15","150","","150","","","","","","","","dichloromethane / heptane","7","P n m a","-P 2ac 2n","62","IBiox12.HOTf","4,7-di(spiro-cyclododecane)-6,9-dioxa-1,3-diazatricyclo[6.3.0.0^3,7^]- unadeca-7-ene-2-ium trifluoromethanesulfonate dichloromethane solvate","","- C31 H51 Cl2 F3 N2 O5 S -","- C31 H49 Cl1.98 F3 N2 O5 S -","- C124 H196 Cl7.92 F12 N8 O20 S4 -","4","0.5","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.1128","0.064","","","0.1455","0.1701","","","","","","1.041","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113353","14.739","0.003","10.7869","0.0019","15.771","0.003","90","","90","","90","","2507.4","0.8","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[Cr(Cp*)2][MTCE]","","","- C27 H33 Cr N3 O2 -","- C27 H33 Cr N3 O2 -","- C108 H132 Cr4 N12 O8 -","4","0.5","","Guangbin Wang; Carla Slebodnick; Ray J. Butcher; Mary C. Tam; T. Daniel Crawford; Gordon T. Yee","A Family of Decamethylmetallocene Charge-Transfer Salt Magnets Using Methyl Tricyanoethylenecarboxylate (MTCE) as the Electron Acceptor","Journal of the American Chemical Society","2004","126","","16890","16895","10.1021/ja0457213","","x-ray","1.54178","CuKα","","0.0744","0.0671","","","0.1654","0.1697","","","","","","1.171","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113426","10.257","0.003","14.744","0.006","13.261","0.005","90","","90","","90","","2005.5","1.3","243","2","243","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C21 H34 Si W -","- C21 H33 Si W -","- C84 H132 Si4 W4 -","4","0.5","","David G. Churchill; Kevin E. Janak; Joshua S. Wittenberg; Gerard Parkin","Normal and Inverse Primary Kinetic Deuterium Isotope Effects for C-H Bond Reductive Elimination and Oxidative Addition Reactions of Molybdenocene and Tungstenocene Complexes: Evidence for Benzene σ-Complex Intermediates","Journal of the American Chemical Society","2003","125","","1403","1420","10.1021/ja027670k","","","0.71073","MoKα","","0.1317","0.0527","","","0.1049","0.1266","","","","","","1.01","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113429","10.161","0.0005","14.9215","0.0008","13.4376","0.0007","90","","90","","90","","2037.37","0.18","223","2","223","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H36 Si W -","- C22 H36 Si W -","- C88 H144 Si4 W4 -","4","0.5","","David G. Churchill; Kevin E. Janak; Joshua S. Wittenberg; Gerard Parkin","Normal and Inverse Primary Kinetic Deuterium Isotope Effects for C-H Bond Reductive Elimination and Oxidative Addition Reactions of Molybdenocene and Tungstenocene Complexes: Evidence for Benzene σ-Complex Intermediates","Journal of the American Chemical Society","2003","125","","1403","1420","10.1021/ja027670k","","","0.71073","MoKα","","0.0209","0.0169","","","0.039","0.0404","","","","","","1.027","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113450","12.685","0.002","22.058","0.003","10.448","0.002","90","","90","","90","","2923.4","0.8","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H43 Al N2 S2 -","- C29 H43 Al N2 S2 -","- C116 H172 Al4 N8 S8 -","4","0.5","","Vojtech Jancik; Ying Peng; Herbert W. Roesky; Jiyang Li; Dante Neculai; Ana M. Neculai; Regine Herbst-Irmer","The First Structurally Characterized Aluminum Compound with Two SH Groups: [LAl(SH)2] (L = N(Ar)C(Me)CHC(Me)N(Ar), Ar = 2,6-i-Pr2C6H3) and the Catalytic Properties of the Sulfur P(NMe2)3 System","Journal of the American Chemical Society","2003","125","","1452","1453","10.1021/ja028801k","","","1.54178","CuKα","","0.032","0.0292","","","0.0786","0.0805","","","","","","1.045","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113514","22.0914","0.0008","16.5373","0.0006","10.541","0.0004","90","","90","","90","","3851","0.2","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Dipp2N^NGaFe(CO)4","","","- C40 H49 Fe Ga N2 O4 -","- C40.84 H46 Fe Ga N2 O4 -","- C163.36 H184 Fe4 Ga4 N8 O16 -","4","0.5","","Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power","Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding","Journal of the American Chemical Society","2003","125","","2667","2679","10.1021/ja028579j","","","0.71073","MoKα","","0.0412","0.033","","","0.0886","0.0948","","","","","","1.048","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113524","17.2149","0.0005","10.517","0.0003","9.3391","0.0003","90","","90","","90","","1690.84","0.09","134","2","134","2","","","","","","","synthetic","5","P n m a","-P 2ac 2n","62","","","","- C12 H6 K3 N10 Re -","- C10 H3 K3 N9 Re -","- C40 H12 K12 N36 Re4 -","4","0.5","","Miriam V. Bennett; Jeffrey R. Long","New Cyanometalate Building Units: Synthesis and Characterization of [Re(CN)7]3- and [Re(CN)8]3-","Journal of the American Chemical Society","2003","125","","2394","2395","10.1021/ja029795v","","","0.71073","MoKα","","0.0221","0.0194","","0.044","0.0438","","","","1.005","1.068","1.068","","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113527","20.3218","0.0003","13.8313","0.0001","15.4992","0.0001","90","","90","","90","","4356.47","0.08","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C26 H43 Dy I3 N13 -","- C26 H46 Dy I3 N13 -","- C104 H184 Dy4 I12 N52 -","4","0.5","","Mikhail N. Bochkarev; Georgii V. Khoroshenkov; Herbert Schumann; Sebastian Dechert","A Novel Bis(imino)amine Ligand as a Result of Acetonitrile Coupling with the Diiodides of Dy(II) and Tm(II)","Journal of the American Chemical Society","2003","125","","2894","2895","10.1021/ja028311s","","","0.71073","MoKα","","0.0594","0.0419","","","0.0916","0.0995","","","","","","1.052","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113647","23.915","0.005","25.14","0.004","13.047","0.003","90","","90","","90","","7844","3","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C79 H24 Ag B22 Cl18 N -","- C79 H24 Ag B22 Cl18 N -","- C316 H96 Ag4 B88 Cl72 N4 -","4","0.5","","Kee-Chan Kim; Frank Hauke; Andreas Hirsch; Peter D. W. Boyd; Elizabeth Carter; Robert S. Armstrong; Peter A. Lay; Christopher A. Reed","Synthesis of the C59N+ Carbocation. A Monomeric Azafullerene Isoelectronic to C60","Journal of the American Chemical Society","2003","125","","4024","4025","10.1021/ja034014r","","","0.71073","MoKα","","0.0973","0.0693","","","0.1851","0.2146","","","","","","1.029","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4114069","25.987","0.01","17.203","0.006","23.432","0.009","90","","90","","90","","10475","7","193","2","193","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C93 H126.5 N17.5 O0.5 Rh4 Ru3 -","- C82 H111 N13 Rh4 Ru3 -","- C328 H444 N52 Rh16 Ru12 -","4","0.5","","Matthew L. Kuhlman; Thomas B. Rauchfuss","Structural Chemistry of ""Defect"" Cyanometalate Boxes: {Cs@[CpCo(CN)3]4[Cp*Ru]3} and {M@[Cp*Rh(CN)3]4[Cp*Ru]3} (M = NH4, Cs)","Journal of the American Chemical Society","2003","125","","10084","10092","10.1021/ja035253h","","","0.71073","MoKα","","0.0355","0.0284","","","0.0672","0.0698","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114117","15.507","0.0002","12.028","0.0003","8.874","0.0006","90","","90","","90","","1655.16","0.12","130","2","130","2","","","","","","","","5","P n m a","-P 2ac 2n","62","suzuki03","","","- C13 H21 Ir N4 S2 -","- C13 H21 Ir N4 S2 -","- C52 H84 Ir4 N16 S8 -","4","0.5","","Takayoshi Suzuki; Antonio G. DiPasquale; James M. Mayer","Nitrogen Atom Insertion into Ir-S and C-S Bonds Initiated by Photolysis of Iridium(III)-Azido-Dithiocarbamato Complexes","Journal of the American Chemical Society","2003","125","","10514","10515","10.1021/ja0365779","","","0.71073","MoKα","","0.0498","0.0302","","","0.0536","0.0572","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114432","13.816","0.007","11.634","0.006","8.886","0.004","90","","90","","90","","1428.3","1.2","203","2","203","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H10 F6 O3 S Ti -","- C12 H10 F6 O3 S Ti -","- C48 H40 F24 O12 S4 Ti4 -","4","0.5","","Felicia L. Taw; Brian L. Scott; Jaqueline L. Kiplinger","Early Transition-Metal Perfluoroalkyl Complexes","Journal of the American Chemical Society","2003","125","","14712","14713","10.1021/ja038527+","","","0.71073","MoKα","","0.0648","0.061","","","0.1369","0.138","","","","","","2.05","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114466","7.6638","0.0009","14.8667","0.0017","7.8149","0.0009","90","","90","","90","","890.39","0.18","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ga0.5 Gd5 Ge3.5 -","- Ga0.52 Gd5 Ge3.52 -","- Ga2.08 Gd20 Ge14.08 -","4","0.5","","Yurij Mozharivskyj; Wonyoung Choe; Alexandra O. Pecharsky; Gordon J. Miller","Phase Transformation Driven by Valence Electron Concentration: Tuning Interslab Bond Distances in Gd5GaxGe4-x","Journal of the American Chemical Society","2003","125","","15183","15190","10.1021/ja037649z","","","0.71073","MoKα","","0.05","0.0462","","","0.0986","0.1004","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114467","7.6195","0.0008","14.8375","0.0015","7.8162","0.0008","90","","90","","90","","883.66","0.16","273","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ga0.7 Gd5 Ge3.3 -","- Ga0.7968 Gd5.69 Ge3.756 -","- Ga3.1872 Gd22.76 Ge15.024 -","4","0.5","","Yurij Mozharivskyj; Wonyoung Choe; Alexandra O. Pecharsky; Gordon J. Miller","Phase Transformation Driven by Valence Electron Concentration: Tuning Interslab Bond Distances in Gd5GaxGe4-x","Journal of the American Chemical Society","2003","125","","15183","15190","10.1021/ja037649z","","","0.71073","MoKα","","0.0667","0.0651","","","0.169","0.17","","","","","","1.269","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114468","7.6829","0.0018","14.811","0.004","7.7736","0.0018","90","","90","","90","","884.6","0.4","273","2","273","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd5 Ge4 -","- Gd5 Ge4 -","- Gd20 Ge16 -","4","0.5","","Yurij Mozharivskyj; Wonyoung Choe; Alexandra O. Pecharsky; Gordon J. Miller","Phase Transformation Driven by Valence Electron Concentration: Tuning Interslab Bond Distances in Gd5GaxGe4-x","Journal of the American Chemical Society","2003","125","","15183","15190","10.1021/ja037649z","","","0.71073","MoKα","","0.0515","0.0348","","","0.0632","0.0683","","","","","","1.021","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114469","7.524","0.006","14.826","0.011","7.828","0.006","90","","90","","90","","873.2","1.2","273","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ga Gd5 Ge3 -","- Ga Gd5 Ge3 -","- Ga4 Gd20 Ge12 -","4","0.5","","Yurij Mozharivskyj; Wonyoung Choe; Alexandra O. Pecharsky; Gordon J. Miller","Phase Transformation Driven by Valence Electron Concentration: Tuning Interslab Bond Distances in Gd5GaxGe4-x","Journal of the American Chemical Society","2003","125","","15183","15190","10.1021/ja037649z","","","0.71073","MoKα","","0.0717","0.0623","","","0.1502","0.1554","","","","","","1.149","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114470","7.5162","0.0007","14.9707","0.0014","7.9149","0.0007","90","","90","","90","","890.61","0.14","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ga2 Gd5 Ge2 -","- Ga2 Gd5 Ge2 -","- Ga8 Gd20 Ge8 -","4","0.5","","Yurij Mozharivskyj; Wonyoung Choe; Alexandra O. Pecharsky; Gordon J. Miller","Phase Transformation Driven by Valence Electron Concentration: Tuning Interslab Bond Distances in Gd5GaxGe4-x","Journal of the American Chemical Society","2003","125","","15183","15190","10.1021/ja037649z","","","0.71073","MoKα","","0.027","0.0232","","","0.0533","0.0544","","","","","","1.02","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114563","7.4375","0.0006","12.154","0.001","12.7246","0.0011","90","","90","","90","","1150.24","0.17","133","2","133","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H8 Cl2 Si -","- C12 H8 Cl2 Si -","- C48 H32 Cl8 Si4 -","4","0.5","","Yuxia Liu; Thomas C. Stringfellow; David Ballweg; Ilia A. Guzei; Robert West","Structure and Chemistry of 1-Silafluorenyl Dianion, Its Derivatives, and an Organosilicon Diradical Dianion","Journal of the American Chemical Society","2002","124","","49","57","10.1021/ja011821m","","","0.71073","MoKα","","0.0374","0.0292","","","0.0749","0.0777","","","","","","1.054","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114615","14.138","0.0006","17.2261","0.0008","10.4985","0.0006","90","","90","","90","","2556.8","0.2","213","2","213","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H23 B11 Br6 -","- C12 H23 B11 Br6 -","- C48 H92 B44 Br24 -","4","0.5","","Daniel Stasko; Christopher A. Reed","Optimizing the Least Nucleophilic Anion. A New, Strong Methyl+ Reagent","Journal of the American Chemical Society","2002","124","","1148","1149","10.1021/ja0118800","","","0.71073","MoKα","","0.0704","0.0512","","","0.1214","0.1258","","","","","","1.058","","","","has coordinates,has disorder","178917","2020-10-21","18:00:00",""
"4114736","18.669","0.001","15.602","0.001","14.583","0.001","90","","90","","90","","4247.6","0.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","5,10,15,20-tetraphenyl-para-benziporphyrin dication dichloride dichloromethane disolvate monohydrate","","- C47.8 H36.6 Cl5.9 N3 O0.9 -","- C47.823 H36.646 Cl5.922 N3 O0.862 -","- C191.292 H146.584 Cl23.688 N12 O3.448 -","4","0.5","","Marcin Stępień; Lechosław Latos-Grażyński","Tetraphenyl-p-benziporphyrin: A Carbaporphyrinoid with Two Linked Carbon Atoms in the Coordination Core","Journal of the American Chemical Society","2002","124","","3838","3839","10.1021/ja017852z","","","0.71073","MoKα","","0.0649","0.0539","","","0.1299","0.1362","","","","","","1.106","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114784","14.0627","0.0004","13.694","0.0004","16.0505","0.0005","90","","90","","90","","3090.92","0.16","120","","120","","","","","","","","local laboratory","3","P n m a","-P 2ac 2n","62","","","","- C34 H40 O10 -","- C34 H40 O10 -","- C136 H160 O40 -","4","0.5","","Ming He; Rolanda J. Johnson; Jorge O. Escobedo; Patricia A. Beck; Kyu Kwang Kim; Nadia N. St. Luce; Claude J. Davis; Patrick T. Lewis; Frank R. Fronczek; Bruce J. Melancon; Anthony A. Mrse; W. Dale Treleaven; Robert M. Strongin","Chromophore Formation in Resorcinarene Solutions and the Visual Detection of Mono- and Oligosaccharides","Journal of the American Chemical Society","2002","124","","5000","5009","10.1021/ja017713h","","","0.71073","MoKα","","0.09","0.064","","","0.145","0.165","","","","","","1.116","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114788","23.794","0.003","16.816","0.003","12.502","0.003","90","","90","","90","","5002.3","1.6","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C54 H54 I2 N2 P2 Pt2 -","- C54 H55 I2 N2 P2 Pt2 -","- C216 H220 I8 N8 P8 Pt8 -","4","0.5","","Gema Rodríguez; Martin Albrecht; Jeroen Schoenmaker; Alan Ford; Martin Lutz; Anthony L. Spek; Gerard van Koten","Bifunctional Pincer-type Organometallics as Substrates for Organic Transformations and as Novel Building Blocks for Polymetallic Materials","Journal of the American Chemical Society","2002","124","","5127","5138","10.1021/ja0177657","","","0.71073","MoKα","","0.0419","0.026","","","0.0527","0.0596","","","","","","1.063","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4114875","22.278","0.004","10.0634","0.0016","23.648","0.004","90","","90","","90","","5301.7","1.6","168","2","168","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[Sn(THME)2]3 * (Py)solvent","","","- C35 H59 N O18 Sn9 -","- C30 H57 O18 Sn9 -","- C120 H228 O72 Sn36 -","4","0.5","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0322","0.0234","","","0.0538","0.057","","","","","","1.103","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114950","20.3184","0.0003","22.7581","0.0004","10.587","0.0001","90","","90","","90","","4895.52","0.12","200","","200","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C48 H82 B Br O2 P2 Pd -","- C48 H82 B Br O2 P2 Pd -","- C192 H328 B4 Br4 O8 P8 Pd4 -","4","0.5","","Mikael Retbøll; Alison J. Edwards; A. David Rae; Anthony C. Willis; Martin A. Bennett; Eric Wenger","Preparation of Benzyne Complexes of Group 10 Metals by Intramolecular Suzuki Coupling of ortho-Metalated Phenylboronic Esters: Molecular Structure of the First Benzyne-Palladium(0) Complex","Journal of the American Chemical Society","2002","124","","8348","8360","10.1021/ja0264091","","","0.7107","MoKα","","0.064","0.049","","0.086","","0.077","","","2.1","","","1.993","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4114999","13.8859","0.0017","7.2451","0.0009","9.2462","0.0011","90","","90","","90","","930.2","0.2","90","1","90","1","","","","","","","","6","P n m a","-P 2ac 2n","62","trans-[Ru(II)(NH3)4Cl(SO2)]Cl","trans-Tetraamminechloro(sulfur dioxide)ruthenium(II) chloride","","- Cl2 H12 N4 O2 Ru S -","- Cl2 H12 N4 O2 Ru S -","- Cl8 H48 N16 O8 Ru4 S4 -","4","0.5","","Andrey Yu. Kovalevsky; Kimberly A. Bagley; Philip Coppens","The First Photocrystallographic Evidence for Light-Induced Metastable Linkage Isomers of Ruthenium Sulfur Dioxide Complexes","Journal of the American Chemical Society","2002","124","","9241","9248","10.1021/ja026045c","","","0.71073","MoKα","","0.0494","0.0353","","","0.0682","0.0734","","","","","","1.278","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115000","13.8336","0.0008","7.2918","0.0004","9.2037","0.0006","90","","90","","90","","928.39","0.1","90","1","90","1","","","","","","","","6","P n m a","-P 2ac 2n","62","trans-[Ru(II)(NH3)4Cl(SO2)]Cl","trans-Tetraamminechloro(sulfur dioxide)ruthenium(II) chloride","","- Cl2 H12 N4 O2 Ru S -","- Cl2 H12 N4 O2 Ru S -","- Cl8 H48 N16 O8 Ru4 S4 -","4","0.5","","Andrey Yu. Kovalevsky; Kimberly A. Bagley; Philip Coppens","The First Photocrystallographic Evidence for Light-Induced Metastable Linkage Isomers of Ruthenium Sulfur Dioxide Complexes","Journal of the American Chemical Society","2002","124","","9241","9248","10.1021/ja026045c","","","0.71073","MoKα","","0.0389","0.0299","","","0.0666","0.0696","","","","","","1.286","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115193","17.9682","0.0016","14.7152","0.0013","19.7117","0.0018","90","","90","","90","","5211.9","0.8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C46 H69 Al2 Cl2 Cr N3 -","- C46 H69 Al2 Cl2 Cr N3 -","- C184 H276 Al8 Cl8 Cr4 N12 -","4","0.5","","Hiroyasu Sugiyama; Ghazar Aharonian; Sandro Gambarotta; Glenn P. A. Yap; Peter H. M. Budzelaar","Participation of the α,α'-Diiminopyridine Ligand System in Reduction of the Metal Center during Alkylation","Journal of the American Chemical Society","2002","124","","12268","12274","10.1021/ja020485m","","","0.71073","MoKα","","0.1153","0.0868","","","0.2663","0.3065","","","","","","1.049","","","","has coordinates,has disorder","178922","2020-10-21","18:00:00",""
"4115378","22.809","0.005","9.523","0.0019","11.144","0.002","90","","90","","90","","2420.6","0.8","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C26 H21 Mn O6 W -","- C26 H21 Mn O6 W -","- C104 H84 Mn4 O24 W4 -","4","0.5","","Li Shao; Steven J. Geib; Paul D. Badger; N. John Cooper","[2 + 2] Cross Coupling of Benzene and Tropylium Ligands in Reductively Activated Piano Stool Complexes of Mn, Cr, and W","Journal of the American Chemical Society","2002","124","","14812","14813","10.1021/ja027081e","","","0.71073","MoKα","","0.047","0.0375","","","0.1001","0.1045","","","","","","1.21","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115390","12.97","0.002","13.3437","0.0019","14.041","0.002","90","","90","","90","","2430","0.6","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","protonated 2-butene-1,4-dione","","","- C17 H23 Cl8 O2 Sb -","- C17 H23 Cl8 O2 Sb -","- C68 H92 Cl32 O8 Sb4 -","4","0.5","","Atsushi Wakamiya; Tohru Nishinaga; Koichi Komatsu","1,2-Dithiin Annelated with Bicyclo[2.2.2]octene Frameworks. One-Electron and Two-Electron Oxidations and Formation of a Novel 2,3,5,6-Tetrathiabicyclo[2.2.2]oct-7-ene Radical Cation with Remarkable Stability Owing to a Strong Transannular Interaction","Journal of the American Chemical Society","2002","124","","15038","15050","10.1021/ja028297j","","","0.71073","MoKα","","0.0469","0.0376","","","0.0848","0.0887","","","","","","1.064","","","","has coordinates,has disorder","178924","2020-10-21","18:00:00",""
"4115413","26.1009","0.0008","16.3832","0.0007","9.13","0.0003","90","","90","","90","","3904.1","0.2","173","2","173","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","[{K(18-crown6)}2(C12H12)]","","","- C36 H60 K2 O12 -","- C36 H60 K2 O12 -","- C144 H240 K8 O48 -","4","0.5","","Peter B. Hitchcock; Michael F. Lappert; Andrey V. Protchenko","The First Crystalline Alkali Metal Salt of a Benzenoid Radical Anion without a Stabilizing Substituent and of a Related Dimer: X-ray Structures of the Toluene Radical Anion and of the Benzene Radical Anion Dimer Potassium-Crown Ether Salts","Journal of the American Chemical Society","2001","123","","189","190","10.1021/ja005580e","","x-ray","0.71073","MoKα","","0.0814","0.064","","","0.1542","0.1659","","","","","","1.062","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115415","11.787","0.006","36.607","0.009","8.504","0.005","90","","90","","90","","3669","3","296.2","","296.2","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H8 Br2 Fe0.5 S4 Se4 -","- C10 H8 Br1.5 Fe0.25 S4 Se4 -","- C80 H64 Br12 Fe2 S32 Se32 -","8","1","","Hideki Fujiwara; Emiko Fujiwara; Yasuhiro Nakazawa; Bakhyt Zh. Narymbetov; Kiyonori Kato; Hayao Kobayashi; Akiko Kobayashi; Madoka Tokumoto; Patrick Cassoux","A Novel Antiferromagnetic Organic Superconductor κ-(BETS)2FeBr4 [Where BETS = Bis(ethylenedithio)tetraselenafulvalene]","Journal of the American Chemical Society","2001","123","","306","314","10.1021/ja002439x","","","0.7107","MoKα","","","0.053","","","0.0492","","","","","1.416","1.416","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115456","20.11351","0.00022","19.92999","0.00026","13.40977","0.00019","90","","90","","90","","5375.47","0.12","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O2 Si -","- O2 Si -","- O192 Si96 -","96","12","","Carlo Lamberti; Silvia Bordiga; Adriano Zecchina; Gilberto Artioli; Gianluigi Marra; Guido Spanò","Ti Location in the MFI Framework of Ti-Silicalite-1: A Neutron Powder Diffraction Study","Journal of the American Chemical Society","2001","123","","2204","2212","10.1021/ja003657t","powder diffraction","","","","","","","","","","","","","1.82","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4115457","20.07147","0.00028","19.90742","0.00032","13.38532","0.00023","90","","90","","90","","5348.39","0.15","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O2 Si -","- O2 Si -","- O192 Si96 -","96","12","","Carlo Lamberti; Silvia Bordiga; Adriano Zecchina; Gilberto Artioli; Gianluigi Marra; Guido Spanò","Ti Location in the MFI Framework of Ti-Silicalite-1: A Neutron Powder Diffraction Study","Journal of the American Chemical Society","2001","123","","2204","2212","10.1021/ja003657t","powder diffraction","","","","","","","","","","","","","1.54","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4115458","20.12825","0.00031","19.9449","0.0004","13.41945","0.00026","90","","90","","90","","5387.32","0.17","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O2 Si -","- O2 Si -","- O192 Si96 -","96","12","","Carlo Lamberti; Silvia Bordiga; Adriano Zecchina; Gilberto Artioli; Gianluigi Marra; Guido Spanò","Ti Location in the MFI Framework of Ti-Silicalite-1: A Neutron Powder Diffraction Study","Journal of the American Chemical Society","2001","123","","2204","2212","10.1021/ja003657t","powder diffraction","","","","","","","","","","","","","1.57","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4115497","7.3915","0.0015","3.7723","0.0008","6.9434","0.0014","90","","90","","90","","193.6","0.07","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Te Zr -","- Te Zr -","- Te4 Zr4 -","4","0.5","","Gissur Örlygsson; Bernd Harbrecht","Structure, Properties, and Bonding of ZrTe (MnP Type), a Low-Symmetry, High-Temperature Modification of ZrTe (WC Type)","Journal of the American Chemical Society","2001","123","","4168","4173","10.1021/ja004164r","","","0.71073","MoKα","","0.0215","0.0212","","","0.0519","0.0519","","","","","","1.208","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115516","14.426","0.0011","7.4303","0.0006","22.4383","0.0017","90","","90","","90","","2405.2","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(guanidinium) 1,8-octanedisulfonate, hexane clathrate","","","- C16 H42 N6 O6 S2 -","- C13.86 H12 N6 O6 S2 -","- C55.44 H48 N24 O24 S8 -","4","0.5","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0967","0.0666","","","0.2163","0.2372","","","","","","1.075","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115521","21.1037","0.0008","7.5867","0.0004","19.3182","0.0008","90","","90","","90","","3093","0.2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(guanidinium) 2-methoxy-4,6-dimethyl-1,5-benzenedisulfonate, tetrahydrofuran clathrate","","","- C9.5 H19 N3 O4.5 S -","- C9.5 H19 N3 O4.5 S -","- C76 H152 N24 O36 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.1901","0.0967","","","0.2432","0.2827","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115563","23.7992","0.0014","6.2196","0.0004","4.6385","0.0003","90","","90","","90","","686.6","0.07","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H7 Au Cl N -","- C4 H7 Au Cl N -","- C16 H28 Au4 Cl4 N4 -","4","0.5","","Robert E. Bachman; Michael S. Fioritto; Susan K. Fetics; T. Matthew Cocker","The Structural and Functional Equivalence of Aurophilic and Hydrogen Bonding: Evidence for the First Examples of Rotator Phases Induced by Aurophilic Bonding","Journal of the American Chemical Society","2001","123","","5376","5377","10.1021/ja0056217","","","0.71073","MoKα","","0.1038","0.088","","","0.2092","0.22","","","","","","1.241","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115612","14.6594","0.0018","25.664","0.003","9.6242","0.0016","90","","90","","90","","3620.8","0.9","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H26 Cl2 F12 N2 Pt -","- C35 H26 Cl2 F12 N2 Pt -","- C140 H104 Cl8 F48 N8 Pt4 -","4","0.5","","Lars Johansson; Olav B. Ryan; Christian Rømming; Mats Tilset","Unexpected Selectivities in C-H Activations of Toluene and p-Xylene at Cationic Platinum(II) Diimine Complexes. New Mechanistic Insight into Product-Determining Factors","Journal of the American Chemical Society","2001","123","","6579","6590","10.1021/ja010277e","","","0.71073","MoKα","","0.0679","0.0546","","","0.1204","0.129","","","","","","1.219","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115662","18.989","0.001","15.97","0.001","15.586","0.001","90","","90","","90","","4726.5","0.5","150","","150","","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C45 H46 B Cl4 F4 I N2 P2 Pt -","- C45 H46 B Cl4 F4 I N2 P2 Pt -","- C180 H184 B4 Cl16 F16 I4 N8 P8 Pt4 -","4","0.5","","David S. McGuinness; Kingsley J. Cavell; Brian F. Yates; Brian W. Skelton; Allan H. White","Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study","Journal of the American Chemical Society","2001","123","","8317","8328","10.1021/ja010628p","","","0.71073","MoKα","","0.084","0.045","","0.056","","0.053","","","1.23","","","1.419","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4115851","21.484","0.001","14.019","0.002","11.0229","0.0009","90","","90","","90","","3319.9","0.6","150.2","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C32 H58 Si4 -","- C32 H58 Si4 -","- C128 H232 Si16 -","4","0.5","","Takeaki Iwamoto; Dongzhu Yin; Chizuko Kabuto; Mitsuo Kira","The First 1,3-Disilabicyclo[1.1.0]butane with Long-Bridge Silicon-Silicon Bond","Journal of the American Chemical Society","2001","123","","12730","12731","10.1021/ja011658v","","","0.7107","MoKα","","","0.0431","","","","0.1361","","","","","","0.926","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115892","13.2314","0.0008","18.8133","0.0012","14.0361","0.0009","90","","90","","90","","3494","0.4","188","2","188","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C30 H38 N20 O14 -","- C30 H34 N20 O14 -","- C120 H136 N80 O56 -","4","0.5","","Jaheon Kim; In-Sun Jung; Soo-Young Kim; Eunsung Lee; Jin-Koo Kang; Shigeru Sakamoto; Kentaro Yamaguchi; Kimoon Kim","New Cucurbituril Homologues: Syntheses, Isolation, Characterization, and X-ray Crystal Structures of Cucurbit[n]uril (n= 5, 7, and 8)","Journal of the American Chemical Society","2000","122","","540","541","10.1021/ja993376p","","","0.71073","MoKα","","0.0729","0.0543","","","0.1188","0.1303","","","","","","1.11","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4116163","26.6894","0.0004","16.0571","0.0003","9.9528","0.0001","90","","90","","90","","4265.32","0.11","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H67 B P5 Re -","- C39 H67 B P5 Re -","- C156 H268 B4 P20 Re4 -","4","0.5","","Kamaluddin Abdur-Rashid; Tina P. Fong; Bronwyn Greaves; Dmitry G. Gusev; Justin G. Hinman; Shaun E. Landau; Alan J. Lough; Robert H. Morris","An Acidity Scale for Phosphorus-Containing Compounds Including Metal Hydrides and Dihydrogen Complexes in THF: Toward the Unification of Acidity Scales","Journal of the American Chemical Society","2000","122","","9155","9171","10.1021/ja994428d","","","0.71073","MoKα","","0.0423","0.0316","","","0.081","0.0863","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116338","14.183","0.004","16.477","0.004","6.387","0.004","90","","90","","90","","1492.6","1.1","291.2","","291.2","","","","","","","","prepared by T. Mitsudo","3","P n m a","-P 2ac 2n","62","tetrabromopentacyclotetradecane","","","- C14 H16 Br4 -","- C14 H16 Br4 -","- C56 H64 Br16 -","4","0.5","","Take-aki Mitsudo; Toshiaki Suzuki; Shi-Wei Zhang; Daisuke Imai; Ken-ichi Fujita; Takao Manabe; Masashi Shiotsuki; Yoshihisa Watanabe; Kenji Wada; Teruyuki Kondo","Novel Ruthenium Complex-Catalyzed Dimerization of 2,5-Norbornadiene to Pentacyclo[6.6.0.0^2,6^.0^3,13^.0^10,14^]tetradeca-4,11-diene Involving Carbon-Carbon Bond Cleavage","Journal of the American Chemical Society","1999","121","9","1839","1850","10.1021/ja9835741","","","0.7107","MoKα","","0","0","","","0","0.034","","","","","","1.88","","","","has coordinates","134518","2020-10-21","18:00:00",""
"4116498","16.799","0.001","19.335","0.002","10.035","0.001","90","","90","","90","","3259.5","0.5","296.2","","296.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H40 Ru2 S4 Ti2 -","- C30 H40 Ru2 S4 Ti2 -","- C120 H160 Ru8 S16 Ti8 -","4","0.5","","Shin-ichiro Kabashima; Shigeki Kuwata; Masanobu Hidai","Electron-Deficient Early-Late Heterobimetallic Sulfido Clusters. Unusual Reactivities of Ti2Ru2S4 Cubane-Type Clusters with Four Cyclopentadienyl Coligands","Journal of the American Chemical Society","1999","121","","7837","7845","10.1021/ja990034a","","","0.7107","MoKα","","0","0","","","0","0.024","","","","","","2.704","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116657","25.5097","0.0005","17.9514","0.0004","14.151","0.0003","90","","90","","90","","6480.2","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C62 H84 Cl Co2 N7 O16 -","- C62 H64 Cl Co2 N7 O16 -","- C248 H256 Cl4 Co8 N28 O64 -","4","0.5","","Chuan He; Stephen J. Lippard","Aminoguanidinium Hydrolysis Effected by a Hydroxo-Bridged Dicobalt(II) Complex as a Functional Model for Arginase and Catalyzed by Mononuclear Cobalt(II) Complexes","Journal of the American Chemical Society","1998","120","","105","113","10.1021/ja972524d","","","0.71073","MoKα","","0.0722","0.0518","","0.1474","0.1349","","","","1.031","1.084","1.084","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116706","16.5158","0.001","13.6408","0.0008","10.426","0.002","90","","90","","90","","2348.9","0.5","180.2","","180.2","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H33 N Nb O3 P3 Si -","- C14 H32.5 N0.5 Nb0.5 O2.5 P2.5 Si0.5 -","- C56 H130 N2 Nb2 O10 P10 Si2 -","4","0.5","","P. James Daff; Peter Legzdins; Steven J. Rettig","The First Nitrosyl Complexes of Niobium and Tantalum","Journal of the American Chemical Society","1998","120","","2688","2689","10.1021/ja9738079","","","0.7107","MoKα","","0.098","","","0.0717","","","","","2.225","","","2.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116782","16.752","0.003","25.009","0.005","18.764","0.003","90","","90","","90","","7861","2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H54 Cl3 Mn2 N13 O15 -","- C20 H48 Cl3 Mn2 N13 O15 -","- C160 H384 Cl24 Mn16 N104 O120 -","8","1","","Karsten Meyer; Jesper Bendix; Nils Metzler-Nolte; Thomas Weyhermüller; Karl Wieghardt","Nitridomanganese(V) and -(VI) Complexes Containing Macrocyclic Amine Ligands","Journal of the American Chemical Society","1998","120","","7260","7270","10.1021/ja980686j","","","0.71073","MoKα","","0.1019","0.0941","","0.2257","0.2198","","","","1.192","1.237","1.237","","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4116840","16.308","0.001","16.086","0.001","13.8755","0.0007","90","","90","","90","","3640","0.4","173","2","173","2","","","","","","","synthesis","5","P n m a","-P 2ac 2n","62","","","","- C22 H61 B3 P6 Ta2 -","- C23 H61 B3 P6 Ta2 -","- C92 H244 B12 P24 Ta8 -","4","0.5","","F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang","Low-Valent Ditantalum Complex Ta2(μ-BH3)(μ-dmpm)3(η2-BH4)2: First Dinuclear Compound Containing a Bridging BH3 Group with Direct Ta-B Bonds","Journal of the American Chemical Society","1998","120","","9594","9599","10.1021/ja9817242","","","0.71073","MoKα","","0.0381","0.0259","","0.0721","0.0674","","","","1.051","1.088","1.088","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116866","12.819","0.002","10.487","0.002","9.253","0.002","90","","90","","90","","1243.9","0.4","296","","296","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C2 H16 F6 N4 O3 Pt2 Si -","- C H14.5 F5 N4 O2.5 Pt2 Si0.5 -","- C4 H58 F20 N16 O10 Pt8 Si2 -","4","0.5","","Ken Sakai; Masao Takeshita; Yuko Tanaka; Takuma Ue; Masayuki Yanagisawa; Masaya Kosaka; Taro Tsubomura; Masamichi Ato; Takeo Nakano","A New One-Dimensional Platinum System Consisting of Carboxylate-Bridged cis-Diammineplatinum Dimers1","Journal of the American Chemical Society","1998","120","","11353","11363","10.1021/ja980055p","","","0.71069","MoKα","","0.1195","0.0612","","0.0585","0.0552","","","","","2.85","2.85","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116868","12.689","0.002","10.687","0.003","9.939","0.002","90","","90","","90","","1347.8","0.5","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 H16 N6 O10 Pt2 -","- C H13.5 N5 O8.5 Pt2 -","- C4 H54 N20 O34 Pt8 -","4","0.5","","Ken Sakai; Masao Takeshita; Yuko Tanaka; Takuma Ue; Masayuki Yanagisawa; Masaya Kosaka; Taro Tsubomura; Masamichi Ato; Takeo Nakano","A New One-Dimensional Platinum System Consisting of Carboxylate-Bridged cis-Diammineplatinum Dimers1","Journal of the American Chemical Society","1998","120","","11353","11363","10.1021/ja980055p","","","0.71069","MoKα","","0.1006","0.0561","","0.0484","0.045","","","","","2.02","2.02","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116976","11.9689","0.0006","11.6175","0.0011","7.4177","0.0006","90","","90","","90","","1031.42","0.14","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C12 H16 Mo -","- C12 H16 Mo -","- C48 H64 Mo4 -","4","0.5","","Li-Sheng Wang; James C. Fettinger; Rinaldo Poli","Cyclopentadienylmolybdenum(II) and -(III) Complexes Containing Diene and Allyl Ligands. 1. Isomeric Preferences and Isomerization Rates in a Pair of Redox-Related Organometallic Complexes","Journal of the American Chemical Society","1997","119","","4453","4464","10.1021/ja964078k","","","0.71073","MoKα","","0.0338","0.0308","","0.0865","0.0838","","","","1.143","1.158","1.158","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4117049","12.9134","0.0015","19.849","0.002","6.8919","0.0008","90","","90","","90","","1766.5","0.3","198","2","198","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","2,2'-dicyanodiphenylacetylene silver(I) triflate","","- C17 H8 Ag F3 N2 O3 S -","- C17 H8 Ag F3 N2 O3 S -","- C68 H32 Ag4 F12 N8 O12 S4 -","4","0.5","","Keith A. Hirsch; Scott R. Wilson; Jeffrey S. Moore","Association of Dicyanodiphenylacetylenes with Silver(I) Salts in Solution and Solid State: Electrospray Ionization Mass Spectrometry Samples Aggregates at Subsaturated Concentrations","Journal of the American Chemical Society","1997","119","","10401","10412","10.1021/ja971135g","","","0.71073","MoKα","","0.114","0.0506","","0.1044","0.0824","","","","1.117","1.177","1.177","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117094","6.551","0.003","5.651","0.003","7.347","0.004","90","","90","","90","","272","0.2","123","2","123","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Formic acid - hydrogen fluoride (1/1)","","- C H3 F O2 -","- C H3 F O2 -","- C4 H12 F4 O8 -","4","0.5","","Dirk Wiechert; Dietrich Mootz; Thomas Dahlems","The Formic Acid 1D Array with H Bonds All Reversed: Structure of a Cocrystal with Hydrogen Fluoride1,2","Journal of the American Chemical Society","1997","119","","12665","12666","10.1021/ja972337f","","","0.71073","MoKα","","0.045","0.0386","","0.1281","0.1139","","","","1.203","1.165","1.165","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117305","15.5887","0.0005","11.6182","0.0003","13.1134","0.0003","90","","90","","90","","2375","0.11","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H12 Ce O22.5 U2 -","- C12 Ce O22.5 U2 -","- C48 Ce4 O90 U8 -","4","0.5","","Christophe Volkringer; Natacha Henry; Stéphane Grandjean; Thierry Loiseau","Uranyl and/or Rare-Earth Mellitates in Extended Organic-Inorganic Networks: A Unique Case of Heterometallic Cation-Cation Interaction with UVI=O-LnIII Bonding (Ln = Ce, Nd)","Journal of the American Chemical Society","2012","134","","1275","1283","10.1021/ja209915n","","","0.71073","MoKα","","0.0289","0.0253","","","0.0717","0.0814","","","","","","1.258","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117306","15.578","0.003","11.628","0.002","13.065","0.003","90","","90","","90","","2366.6","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H12 Nd O22.5 U2 -","- C12 Nd O22.5 U2 -","- C48 Nd4 O90 U8 -","4","0.5","","Christophe Volkringer; Natacha Henry; Stéphane Grandjean; Thierry Loiseau","Uranyl and/or Rare-Earth Mellitates in Extended Organic-Inorganic Networks: A Unique Case of Heterometallic Cation-Cation Interaction with UVI=O-LnIII Bonding (Ln = Ce, Nd)","Journal of the American Chemical Society","2012","134","","1275","1283","10.1021/ja209915n","","","0.71073","MoKα","","0.0337","0.0291","","","0.0793","0.0907","","","","","","1.23","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117331","39.7619","0.0008","37.8141","0.001","25.0128","0.0005","90","","90","","90","","37608.3","1.5","293","2","293","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- As6 H392 K Li35 Mo18 O412 S18 W54 -","- As6 Li6 Mo18 O309 S18 W54 -","- As24 Li24 Mo72 O1236 S72 W216 -","4","0.5","","Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot","Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold","Journal of the American Chemical Society","2012","134","","1724","1737","10.1021/ja2090383","","","0.71073","MoKα","","0.1113","0.0551","","","0.1506","0.2065","","","","","","1.188","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117445","17.5944","0.0002","21.1678","0.0003","9.0757","0.0001","90","","90","","90","","3380.11","0.07","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C33.11 H43 Al Cr N2 O4.11 -","- C33.1141 H43 Al Cr N2 O4.1141 -","- C132.456 H172 Al4 Cr4 N8 O16.4564 -","4","0.5","","Ian M. Riddlestone; Siân Edmonds; Paul A. Kaufman; Juan Urbano Baena; Joshua I. Bates; Michael J. Kelly; Amber L. Thompson; Russell Taylor; Simon Aldridge","σ-Alane Complexes of Chromium, Tungsten, and Manganese","Journal of the American Chemical Society","2012","134","","2551","2554","10.1021/ja2119892","","","0.71073","MoKα","","0.0569","0.0456","","0.1103","0.1025","0.1103","","","","","","0.9421","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117956","10.3495","0.0011","4.7632","0.0005","17.684","0.002","90","","90","","90","","871.76","0.16","300","2","300","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cs I3 Sn -","- Cs I3 Sn -","- Cs4 I12 Sn4 -","4","0.5","","In Chung; Jung-Hwan Song; Jino Im; John Androulakis; Christos D. Malliakas; Hao Li; Arthur J. Freeman; John T. Kenney; Mercouri G. Kanatzidis","CsSnI3: Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions","Journal of the American Chemical Society","2012","134","","8579","8587","10.1021/ja301539s","","","0.71073","MoKα","","0.0421","0.0288","","","0.0536","0.0563","","","","","","1.049","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117959","8.6885","0.0005","12.3775","0.0004","8.6384","0.0006","90","","90","","90","","928.99","0.09","300","2","300","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cs I3 Sn -","- Cs I3 Sn -","- Cs4 I12 Sn4 -","4","0.5","","In Chung; Jung-Hwan Song; Jino Im; John Androulakis; Christos D. Malliakas; Hao Li; Arthur J. Freeman; John T. Kenney; Mercouri G. Kanatzidis","CsSnI3: Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions","Journal of the American Chemical Society","2012","134","","8579","8587","10.1021/ja301539s","","","0.71073","MoKα","","0.0553","0.0431","","","0.0954","0.0991","","","","","","1.192","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4118200","15.729","0.003","9.041","0.0018","7.7954","0.0016","90","","90","","90","","1108.6","0.4","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H15 Cl3 Cu N2 O -","- C6 H15 Cl3 Cu N2 O -","- C24 H60 Cl12 Cu4 N8 O4 -","4","0.5","","Yi Zhang; Wen Zhang; Shen-Hui Li; Qiong Ye; Hong-Ling Cai; Feng Deng; Ren-Gen Xiong; Songping D. Huang","Ferroelectricity Induced by Ordering of Twisting Motion in a Molecular Rotor","Journal of the American Chemical Society","2012","134","","11044","11049","10.1021/ja3047427","","","0.71073","MoKα","","0.0329","0.0315","","","0.0761","0.0769","","","","","","1.125","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118202","15.818","0.003","9.095","0.0018","7.85","0.0016","90","","90","","90","","1129.3","0.4","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H12 Cl3 Cu D3 N2 O -","- C6 H12 Cl3 Cu D3 N2 O -","- C24 H48 Cl12 Cu4 D12 N8 O4 -","4","0.5","","Yi Zhang; Wen Zhang; Shen-Hui Li; Qiong Ye; Hong-Ling Cai; Feng Deng; Ren-Gen Xiong; Songping D. Huang","Ferroelectricity Induced by Ordering of Twisting Motion in a Molecular Rotor","Journal of the American Chemical Society","2012","134","","11044","11049","10.1021/ja3047427","","","0.71073","MoKα","","0.0297","0.0275","","","0.0666","0.0677","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118251","24.4999","0.0014","25.7959","0.0014","16.7621","0.0009","90","","90","","90","","10593.6","1","90","2","90","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C68 H140 O48 Ti17 -","- C68 H140 O48 Ti17 -","- C272 H560 O192 Ti68 -","4","0.5","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.0597","0.0446","","","0.1097","0.1303","","","","","","1.149","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118352","16.821","0.004","15.309","0.004","16.315","0.004","90","","90","","90","","4201.3","1.8","110","2","110","2","","","","","","","","7","P n m a","-P 2ac 2n","62","TeP2PtI","","","- C37 H30 Cl2 I4 P2 Pt Te -","- C37 H30 Cl2 I4 P2 Pt Te -","- C148 H120 Cl8 I16 P8 Pt4 Te4 -","4","0.5","","Tzu-Pin Lin; François P. Gabbaï","Two-Electron Redox Chemistry at the Dinuclear Core of a TePt Platform: Chlorine Photoreductive Elimination and Isolation of a TeVPtI Complex","Journal of the American Chemical Society","2012","134","","12230","12238","10.1021/ja3046074","","","0.71073","MoKα","","0.0623","0.0508","","","0.1088","0.115","","","","","","1.03","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118382","41.62","0.01","34.203","0.004","19.61","0.01","90","","90","","90","","27915","16","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C162 H234 N18 O75 P12 Pt6 S12 -","- C150 H54 N18 O75 P12 Pt6 S12 -","- C600 H216 N72 O300 P48 Pt24 S48 -","4","0.5","","Sébastien Bivaud; Jean-Yves Balandier; Marcos Chas; Magali Allain; Sébastien Goeb; Marc Sallé","A Metal-Directed Self-Assembled Electroactive Cage with Bis(pyrrolo)tetrathiafulvalene (BPTTF) Side Walls","Journal of the American Chemical Society","2012","134","","11968","11970","10.1021/ja305451v","","x-ray","0.71073","MoKα","","","0.1862","","","","0.5863","","","","","","1.927","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118457","20.767","0.002","19.76","0.002","10.9044","0.0013","90","","90","","90","","4474.7","0.8","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C46 H70 N2 O V -","- C46 H70 N2 O V -","- C184 H280 N8 O4 V4 -","4","0.5","","Ba L. Tran; Balazs Pinter; Adam J. Nichols; Felicia T. Konopka; Rick Thompson; Chun-Hsing Chen; J. Krzystek; Andrew Ozarowski; Joshua Telser; Mu-Hyun Baik; Karsten Meyer; Daniel J. Mindiola","A Planar Three-Coordinate Vanadium(II) Complex and the Study of Terminal Vanadium Nitrides from N2: A Kinetic or Thermodynamic Impediment to N-N Bond Cleavage?","Journal of the American Chemical Society","2012","134","","13035","13045","10.1021/ja303360v","","","0.71073","MoKα","","0.072","0.0481","","0.134","0.1112","0.134","","","","","","1.0237","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118484","11.097","0.003","21.896","0.006","22.955","0.006","90","","90","","90","","5578","3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C62 H57 N5 O8 P2 -","- C62 H53 N5 O8 P2 -","- C248 H212 N20 O32 P8 -","4","0.5","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71069","MoKα","","0.2181","0.0891","","","0.2251","0.2689","","","","","","1.004","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118929","11.5432","0.0004","12.7958","0.0006","9.2771","0.0004","90","","90","","90","","1370.27","0.1","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H18 Cl3 Fe N O -","- C9 H18 Cl3 Fe N O -","- C36 H72 Cl12 Fe4 N4 O4 -","4","0.5","","Jeremiah J. Scepaniak; Ashley M. Wright; Richard A. Lewis; Guang Wu; Trevor W. Hayton","Tuning the Reactivity of TEMPO by Coordination to a Lewis Acid: Isolation and Reactivity of MCl3(η1-TEMPO) (M = Fe, Al)","Journal of the American Chemical Society","2012","134","","19350","19353","10.1021/ja309499h","","","0.71073","MoKα","","0.0218","0.0193","","","0.0518","0.0537","","","","","","1.061","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118930","11.5381","0.0005","12.7464","0.0006","9.2803","0.0004","90","","90","","90","","1364.85","0.11","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H18 Al Cl3 N O -","- C9 H18 Al Cl3 N O -","- C36 H72 Al4 Cl12 N4 O4 -","4","0.5","","Jeremiah J. Scepaniak; Ashley M. Wright; Richard A. Lewis; Guang Wu; Trevor W. Hayton","Tuning the Reactivity of TEMPO by Coordination to a Lewis Acid: Isolation and Reactivity of MCl3(η1-TEMPO) (M = Fe, Al)","Journal of the American Chemical Society","2012","134","","19350","19353","10.1021/ja309499h","","","0.71073","MoKα","","0.0241","0.0212","","","0.0559","0.0579","","","","","","1.039","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118931","11.5724","0.0003","12.7487","0.0003","9.3096","0.0002","90","","90","","90","","1373.47","0.06","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H19 Cl3 Fe N O -","- C9 H19 Cl3 Fe N O -","- C36 H76 Cl12 Fe4 N4 O4 -","4","0.5","","Jeremiah J. Scepaniak; Ashley M. Wright; Richard A. Lewis; Guang Wu; Trevor W. Hayton","Tuning the Reactivity of TEMPO by Coordination to a Lewis Acid: Isolation and Reactivity of MCl3(η1-TEMPO) (M = Fe, Al)","Journal of the American Chemical Society","2012","134","","19350","19353","10.1021/ja309499h","","","0.71073","MoKα","","0.0201","0.017","","","0.0498","0.0517","","","","","","1.054","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118932","11.5552","0.0002","12.7108","0.0002","9.2728","0.0002","90","","90","","90","","1361.95","0.04","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H19 Al Cl3 N O -","- C9 H19 Al Cl3 N O -","- C36 H76 Al4 Cl12 N4 O4 -","4","0.5","","Jeremiah J. Scepaniak; Ashley M. Wright; Richard A. Lewis; Guang Wu; Trevor W. Hayton","Tuning the Reactivity of TEMPO by Coordination to a Lewis Acid: Isolation and Reactivity of MCl3(η1-TEMPO) (M = Fe, Al)","Journal of the American Chemical Society","2012","134","","19350","19353","10.1021/ja309499h","","","0.71073","MoKα","","0.0241","0.0202","","","0.0553","0.0574","","","","","","1.076","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4119056","36.554","0.004","15.5755","0.0008","12.4572","0.0006","90","","90","","90","","7092.5","0.9","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C81 H94 F K N4 O12 -","- C79 H82 F K N4 O10 -","- C316 H328 F4 K4 N16 O40 -","4","0.5","","Sung Kuk Kim; Vincent M. Lynch; Neil J. Young; Benjamin P. Hay; Chang-Hee Lee; Jong Seung Kim; Bruce A. Moyer; Jonathan L. Sessler","KF and CsF Recognition and Extraction by a Calix[4]crown-5 Strapped Calix[4]pyrrole Multitopic Receptor","Journal of the American Chemical Society","2012","134","","20837","20843","10.1021/ja310673p","","","1.5418","CuKα","","0.2","0.1404","","","0.2471","0.2783","","","","","","1.196","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119320","15.5439","0.0014","22.655","0.002","8.2238","0.0007","90","","90","","90","","2896","0.4","141","1","141","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H38 I4 N2 O4 U -","- C18 H38 I4 N2 O4 U -","- C72 H152 I16 N8 O16 U4 -","4","0.5","","Liam P. Spencer; Ping Yang; Stefan G. Minasian; Robert E. Jilek; Enrique R. Batista; Kevin S. Boland; James M. Boncella; Steven D. Conradson; David L. Clark; Trevor W. Hayton; Stosh A. Kozimor; Richard L. Martin; Molly M. MacInnes; Angela C. Olson; Brian L. Scott; David K. Shuh; Marianne P. Wilkerson","Tetrahalide Complexes of the [U(NR)2]2+ Ion: Synthesis, Theory, and Chlorine K-Edge X-ray Absorption Spectroscopy","Journal of the American Chemical Society","2013","135","","2279","2290","10.1021/ja310575j","","","0.71073","MoKα","","0.0349","0.0239","","","0.0551","0.06","","","","","","0.943","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119321","19.515","0.002","9.9247","0.0011","11.7598","0.0013","90","","90","","90","","2277.6","0.4","120","1","120","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C12 H30 I2 N2 O P2 U -","- C12 H30 I2 N2 O P2 U -","- C48 H120 I8 N8 O4 P8 U4 -","4","0.5","","Liam P. Spencer; Ping Yang; Stefan G. Minasian; Robert E. Jilek; Enrique R. Batista; Kevin S. Boland; James M. Boncella; Steven D. Conradson; David L. Clark; Trevor W. Hayton; Stosh A. Kozimor; Richard L. Martin; Molly M. MacInnes; Angela C. Olson; Brian L. Scott; David K. Shuh; Marianne P. Wilkerson","Tetrahalide Complexes of the [U(NR)2]2+ Ion: Synthesis, Theory, and Chlorine K-Edge X-ray Absorption Spectroscopy","Journal of the American Chemical Society","2013","135","","2279","2290","10.1021/ja310575j","","","0.71073","MoKα","","0.0496","0.0397","","","0.0938","0.0967","","","","","","1.044","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119461","12.5434","0.0003","11.2251","0.0002","11.9059","0.0003","90","","90","","90","","1676.36","0.07","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H14 Cu N6 O2 -","- C15 H14 Cu N6 O2 -","- C60 H56 Cu4 N24 O8 -","4","0.5","","Mario Wriedt; Andrey A. Yakovenko; Gregory J. Halder; Andrey V. Prosvirin; Kim R. Dunbar; Hong-Cai Zhou","Reversible Switching from Antiferro- to Ferromagnetic Behavior by Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System","Journal of the American Chemical Society","2013","135","","4040","4050","10.1021/ja312347p","powder diffraction","x-ray","0.41308","synchrotron","","","","","","","","","0.0533","1.22","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4119620","14.0574","0.0011","7.207","0.0006","18.6836","0.0014","90","","90","","90","","1892.9","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H6 F3 I3 O S -","- C14 H6 F3 I3 O S -","- C56 H24 F12 I12 O4 S4 -","4","0.5","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","x-ray","0.71073","MoKα","","0.0273","0.0239","","","0.0633","0.0789","","","","","","1.213","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119638","12.7024","0.0017","21.299","0.003","10.4913","0.0015","90","","90","","90","","2838.4","0.7","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","4a","","","- C26 H36 Cl4 N2 W -","- C26 H36 Cl4 N2 W -","- C104 H144 Cl16 N8 W4 -","4","0.5","","Hayato Tsurugi; Hiromasa Tanahashi; Haruka Nishiyama; Waldemar Fegler; Teruhiko Saito; Andreas Sauer; Jun Okuda; Kazushi Mashima","Salt-Free Reducing Reagent of Bis(trimethylsilyl)cyclohexadiene Mediates Multielectron Reduction of Chloride Complexes of W(VI) and W(IV)","Journal of the American Chemical Society","2013","135","","5986","5989","10.1021/ja401589a","","","0.71075","MoKα","","0.1223","0.1107","","","0.3289","0.3509","","","","","","1.552","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119680","13.9621","0.001","12.8717","0.0002","13.3016","0.0002","90","","90","","90","","2390.51","0.18","85","2","85","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H22 Cl2 N3 O0.5 Pd -","- C28 H22.01 Cl2 N3 O0.5 Pd -","- C112 H88.04 Cl8 N12 O2 Pd4 -","4","0.5","","Ansis Maleckis; Jeff W. Kampf; Melanie S. Sanford","A Detailed Study of Acetate-Assisted C-H Activation at Palladium(IV) Centers","Journal of the American Chemical Society","2013","135","","6618","6625","10.1021/ja401557m","","","1.54178","CuKα","","0.0221","0.0219","","","0.0548","0.0549","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119791","19.6025","0.0002","11.5901","0.0001","9.6145","0.0001","90","","90","","90","","2184.37","0.04","183","2","183","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,2,6,6-Tetramethylpiperidinium formate","","- C10 H21 N O2 -","- C10 H21 N O2 -","- C80 H168 N8 O16 -","8","1","","Yanfeng Jiang; Olivier Blacque; Thomas Fox; Heinz Berke","Catalytic CO2 Activation Assisted by Rhenium Hydride/B(C6F5)3 Frustrated Lewis Pairs-Metal Hydrides Functioning as FLP Bases","Journal of the American Chemical Society","2013","135","","7751","7760","10.1021/ja402381d","","","1.54184","CuKα","","0.0508","0.0499","","","0.1389","0.1398","","","","","","1.047","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4120100","9.6611","0.0004","20.3319","0.0007","13.6276","0.0005","90","","90","","90","","2676.85","0.17","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[Cu(bcppm)H2O]-pdes","","","- C21 H16 Cu N4 O5 -","- C21 H16 Cu N4 O5 -","- C84 H64 Cu4 N16 O20 -","4","0.5","","Witold M. Bloch; Ravichandar Babarao; Matthew R. Hill; Christian J. Doonan; Christopher J. Sumby","Post-synthetic Structural Processing in a Metal-Organic Framework Material as a Mechanism for Exceptional CO2/N2 Selectivity","Journal of the American Chemical Society","2013","135","","10441","10448","10.1021/ja4032049","","","0.7107","MoKα","","0.057","0.0398","","","0.1119","0.1184","","","","","","1.109","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120101","9.9995","0.0003","19.259","0.0004","15.3449","0.0005","90","","90","","90","","2955.13","0.14","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H16 Cu N4 O5 -","- C21 H16 Cu N4 O5 -","- C84 H64 Cu4 N16 O20 -","4","0.5","","Witold M. Bloch; Ravichandar Babarao; Matthew R. Hill; Christian J. Doonan; Christopher J. Sumby","Post-synthetic Structural Processing in a Metal-Organic Framework Material as a Mechanism for Exceptional CO2/N2 Selectivity","Journal of the American Chemical Society","2013","135","","10441","10448","10.1021/ja4032049","","","0.7107","MoKα","","0.0592","0.0452","","","0.1304","0.1382","","","","","","1.062","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120102","8.8","0.003","20.734","0.002","13.11","0.005","90","","90","","90","","2392","1.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H16 Cu N4 O5 -","- C21 H16 Cu N4 O5 -","- C84 H64 Cu4 N16 O20 -","4","0.5","","Witold M. Bloch; Ravichandar Babarao; Matthew R. Hill; Christian J. Doonan; Christopher J. Sumby","Post-synthetic Structural Processing in a Metal-Organic Framework Material as a Mechanism for Exceptional CO2/N2 Selectivity","Journal of the American Chemical Society","2013","135","","10441","10448","10.1021/ja4032049","","","0.7107","MoKα","","0.2551","0.1937","","","0.467","0.4948","","","","","","1.548","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120220","11.1855","0.0007","15.8829","0.001","6.0465","0.0004","90","","90","","90","","1074.21","0.12","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","0.5","","Taryn D. Palluccio; Elena V. Rybak-Akimova; Subhojit Majumdar; Xiaochen Cai; Megan Chui; Manuel Temprado; Jared S. Silvia; Anthony F. Cozzolino; Daniel Tofan; Alexandra Velian; Christopher C. Cummins; Burjor Captain; Carl D. Hoff","Thermodynamic and Kinetic Study of Cleavage of the N-O Bond of N-Oxides by a Vanadium(III) Complex: Enhanced Oxygen Atom Transfer Reaction Rates for Adducts of Nitrous Oxide and Mesityl Nitrile Oxide","Journal of the American Chemical Society","2013","135","","11357","11372","10.1021/ja405395z","","","0.71073","MoKα","","0.0566","0.045","","","0.121","0.1328","","","","","","1.049","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120270","22.7508","0.0011","13.7761","0.0008","22.5814","0.0013","90","","90","","90","","7077.4","0.7","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","(mu-NO2)Co(Medoen)Mg(Me3TACN)","","- C29 H57 Co Mg N8 O6.5 -","- C29.734 H50.984 Co Mg N8 O6 -","- C237.872 H407.872 Co8 Mg8 N64 O48 -","8","1","","Christopher Uyeda; Jonas C. Peters","Selective Nitrite Reduction at Heterobimetallic CoMg Complexes","Journal of the American Chemical Society","2013","135","","12023","12031","10.1021/ja4053653","","","0.71073","MoKα","","0.1577","0.0881","","","0.1968","0.2239","","","","","","1.084","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120581","15.984","0.001","16.622","0.007","9.16","0.001","90","","90","","90","","2433.7","1.1","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H8.5 N3.5 O5 -","- C12 H8.5 N3.5 O5 -","- C96 H68 N28 O40 -","8","1","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.5418","CuKα","","0.0618","0.0507","","","0.1404","0.1518","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120617","8.9424","0.0011","7.232","0.0004","9.9182","0.0014","90","","90","","90","","641.42","0.13","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Al1.95 Au5.05 Sr -","- Al1.948 Au5.052 Sr -","- Al7.792 Au20.208 Sr4 -","4","0.5","","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","","0.0223","0.0193","","","0.0448","0.0457","","","","","","1.121","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120666","22.628","0.003","22.198","0.003","41.504","0.006","90","","90","","90","","20847","5","90","2","90","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C130 H192 Cl2 N43.67 O61.1 P2 Pd6 Pt Si2 -","- C130 H192 Cl2 N43.678 O61.063 P2 Pd6 Pt Si2 -","- C520 H768 Cl8 N174.712 O244.252 P8 Pd24 Pt4 Si8 -","4","0.5","","Kohyama, Yuh; Murase, Takashi; Fujita, Makoto","Metal-Organic Proximity in a Synthetic Pocket.","Journal of the American Chemical Society","2014","136","8","2966","","10.1021/ja412582k","","","0.71073","MoKα","","0.0999","0.0744","","","0.2045","0.2232","","","","","","1.104","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120925","13.701","0.003","9.683","0.002","14.533","0.003","90","","90","","90","","1928","0.7","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C12 H29 F6 N4 Ni P Se -","- C12 H29 F6 N4 Ni P Se -","- C48 H116 F24 N16 Ni4 P4 Se4 -","4","0.5","","Jessica Wallick; Charles G. Riordan; Glenn P. A. Yap","C-H Activation by a Diselenido Dinickel(II) Complex","Journal of the American Chemical Society","2013","135","","14972","14974","10.1021/ja407995r","","","0.71073","MoKα","","0.0419","0.0315","","","0.0691","0.0741","","","","","","1.028","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120981","18.02","0.004","15.34","0.003","13.56","0.003","90","","90","","90","","3748.3","1.4","100","","100","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C37 H48 B2 F8 O P2 Pd2 -","- C37 H48 B2 F8 O P2 Pd2 -","- C148 H192 B8 F32 O4 P8 Pd8 -","4","0.5","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","x-ray","0.7293","synchrotron","","0.0245","0.0242","","","0.0649","0.0651","","","","","","1.106","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120985","17.95","0.004","15.271","0.003","13.363","0.003","90","","90","","90","","3663","1.4","100","","100","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C35 H46 B2 F8 P2 Pd2 S -","- C35 H46 B2 F8 P2 Pd2 S -","- C140 H184 B8 F32 P8 Pd8 S4 -","4","0.5","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","x-ray","0.7293","synchrotron","","0.0336","0.0333","","","0.088","0.0883","","","","","","1.069","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120986","18.338","0.004","15.222","0.003","13.065","0.003","90","","90","","90","","3647","1.4","100","","100","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C35 H46 B2 F8 P2 Pd2 S -","- C35 H46 B2 F8 P2 Pd2 S -","- C140 H184 B8 F32 P8 Pd8 S4 -","4","0.5","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","","0.7293","synchrotron","","0.0377","0.0376","","","0.1086","0.1089","","","","","","0.781","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4121026","15.7624","0.0019","13.6449","0.0016","9.7734","0.0012","90","","90","","90","","2102","0.4","100","0.5","100","0.5","","","","","","","","5","P n m a","-P 2ac 2n","62","weixsb03","","","- C18 H24 I2 N2 Ni -","- C18 H24 I2 N2 Ni -","- C72 H96 I8 N8 Ni4 -","4","0.5","","Soumik Biswas; Daniel J. Weix","Mechanism and Selectivity in Nickel-Catalyzed Cross-Electrophile Coupling of Aryl Halides with Alkyl Halides","Journal of the American Chemical Society","2013","135","","16192","16197","10.1021/ja407589e","","","0.71073","MoKα","","0.0761","0.0411","","","0.0765","0.0867","","","","","","1.049","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121210","20.002","0.003","11.4486","0.0016","16.359","0.002","90","","90","","90","","3746.1","0.9","238","2","238","2","","","","","","","","5","P n m a","-P 2ac 2n","62","KM40","","","- C36 H56 Er K O8 -","- C36 H56 Er K O8 -","- C144 H224 Er4 K4 O32 -","4","0.5","","Katie R. Meihaus; Jeffrey R. Long","Magnetic Blocking at 10 K and a Dipolar-Mediated Avalanche in Salts of the Bis(η8-cyclooctatetraenide) Complex [Er(COT)2]-","Journal of the American Chemical Society","2013","135","","17952","17957","10.1021/ja4094814","","","0.71073","MoKα","","0.0385","0.0331","","","0.0794","0.084","","","","","","1.062","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121301","19.61","0.003","18.285","0.002","9.2215","0.0012","90","","90","","90","","3306.5","0.8","130","2","130","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C33 H46 N4 Si3 -","- C33 H46 N4 Si3 -","- C132 H184 N16 Si12 -","4","0.5","","Timothy A. Su; Jonathan R. Widawsky; Haixing Li; Rebekka S. Klausen; James L. Leighton; Michael L. Steigerwald; Latha Venkataraman; Colin Nuckolls","Silicon Ring Strain Creates High-Conductance Pathways in Single-Molecule Circuits","Journal of the American Chemical Society","2013","135","","18331","18334","10.1021/ja410656a","","","0.71073","MoKα","","0.1528","0.0655","","","0.163","0.2008","","","","","","1","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121310","14.2716","0.0011","31.714","0.002","8.8844","0.0007","90","","90","","90","","4021.2","0.5","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C19 H17 F N3 O S3 Zn -","- C19 H17 F N3 O S3 Zn -","- C152 H136 F8 N24 O8 S24 Zn8 -","8","1","","Wesley Sattler; Serge Ruccolo; Gerard Parkin","Synthesis, Structure, and Reactivity of a Terminal Organozinc Fluoride Compound: Hydrogen Bonding, Halogen Bonding, and Donor-Acceptor Interactions","Journal of the American Chemical Society","2013","135","","18714","18717","10.1021/ja408733f","","","0.71073","MoKα","","0.04","0.0291","","","0.0683","0.0727","","","","","","1.041","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121311","14.3162","0.0009","13.2855","0.0008","9.0351","0.0006","90","","90","","90","","1718.46","0.19","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H12 F N3 S3 Zn -","- C16 H12 F N3 S3 Zn -","- C64 H48 F4 N12 S12 Zn4 -","4","0.5","","Wesley Sattler; Serge Ruccolo; Gerard Parkin","Synthesis, Structure, and Reactivity of a Terminal Organozinc Fluoride Compound: Hydrogen Bonding, Halogen Bonding, and Donor-Acceptor Interactions","Journal of the American Chemical Society","2013","135","","18714","18717","10.1021/ja408733f","","","0.71073","MoKα","","0.0284","0.023","","","0.0602","0.0623","","","","","","1.056","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121415","16.288","0.0006","19.2991","0.0006","5.3395","0.0002","90","","90","","90","","1678.44","0.1","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H16 Cl2 N6 -","- C20 H12 Cl2 N6 -","- C80 H48 Cl8 N24 -","4","0.5","","Pochorovski, Igor; Milić, Jovana; Kolarski, Dušan; Gropp, Cornelius; Schweizer, W. Bernd; Diederich, François","Evaluation of Hydrogen-Bond Acceptors for Redox-Switchable Resorcin[4]arene Cavitands.","Journal of the American Chemical Society","2014","136","10","3852","3858","10.1021/ja411429b","","","1.54178","CuKα","","0.0523","0.0376","","","0.0875","0.0925","","","","","","0.994","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121575","10.1024","0.0004","20.0404","0.001","13.0272","0.0005","90","","90","","90","","2637.4","0.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H6 Br N O2 S -","- C8 H6 Br N O2 S -","- C96 H72 Br12 N12 O24 S12 -","12","1.5","","Foo, Klement; Sella, Eran; Thomé, Isabelle; Eastgate, Martin D.; Baran, Phil S.","A mild, ferrocene-catalyzed C-h imidation of (hetero)arenes.","Journal of the American Chemical Society","2014","136","14","5279","5282","10.1021/ja501879c","","","0.71073","MoKα","","0.0889","0.074","","","0.2031","0.2136","","","","","","1.076","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121868","8.761","0.0003","12.3507","0.0004","8.8118","0.0003","90","","90","","90","","953.48","0.06","413","0.14","413","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H9 Mn N O6 -","- C24 H36 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.1043","0.0693","","","0.2004","0.2363","","","","","","1.131","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121872","8.711","0.0003","12.3162","0.0004","8.8734","0.0003","90","","90","","90","","952","0.06","333","0.14","333","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H11 Mn N O6 -","- C24 H44 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0639","0.0423","","","0.1154","0.1299","","","","","","1.159","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121876","8.7233","0.0003","12.3247","0.0004","8.8668","0.0003","90","","90","","90","","953.29","0.06","354","9","354","9","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H11 Mn N O6 -","- C24 H44 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0683","0.0445","","","0.1105","0.1316","","","","","","1.139","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121877","8.7515","0.0003","12.3472","0.0004","8.8346","0.0003","90","","90","","90","","954.64","0.06","393","0.14","393","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H9 Mn N O6 -","- C24 H36 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0787","0.0543","","","0.1516","0.1703","","","","","","1.17","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121878","8.7393","0.0003","12.3416","0.0004","8.8576","0.0003","90","","90","","90","","955.35","0.06","373","0.14","373","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H11 Mn N O6 -","- C24 H44 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0737","0.0496","","","0.1324","0.1522","","","","","","1.122","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121879","8.6939","0.0003","12.3048","0.0004","8.8768","0.0003","90","","90","","90","","949.61","0.06","293","0.14","293","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H11 Mn N O6 -","- C24 H44 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0635","0.0431","","","0.1072","0.124","","","","","","1.143","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121880","8.6985","0.0003","12.3141","0.0004","8.8804","0.0003","90","","90","","90","","951.22","0.06","313","0.14","313","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H11 Mn N O6 -","- C24 H44 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0636","0.0426","","","0.1062","0.1219","","","","","","1.102","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4122167","19.964","0.004","21.624","0.004","8.0369","0.0016","90","","90","","90","","3469.5","1.2","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C31 H46 I O2 P Pd Si -","- C31 H46 I O2 P Pd Si -","- C124 H184 I4 O8 P4 Pd4 Si4 -","4","0.5","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0942","0.0504","","","0.1109","0.1315","","","","","","1.062","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122238","10.127","0.002","12.04","0.002","15.569","0.003","90","","90","","90","","1898.3","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H12 Cl2 N10 -","- C18 H12 Cl2 N10 -","- C72 H48 Cl8 N40 -","4","0.5","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.0532","0.0429","","","0.1185","0.1226","","","","","","1.003","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122584","8.778","0.0003","9.8893","0.0005","16.9341","0.0006","90","","90","","90","","1470.02","0.1","140","2","140","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H8 Fe2 O6 S2 -","- C10 H8 Fe2 O6 S2 -","- C40 H32 Fe8 O24 S8 -","4","0.5","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0583","0.0432","","","0.0859","0.0904","","","","","","1.113","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122873","18.253","0.003","14.801","0.002","17.422","0.002","90","","90","","90","","4706.8","1.1","120","2","120","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C45 H42 B Co F3 Fe N15 O4 S -","- C42 H35 B Co F3 Fe N14 O3 S -","- C168 H140 B4 Co4 F12 Fe4 N56 O12 S4 -","4","0.5","","Koumousi, Evangelia S.; Jeon, Ie-Rang; Gao, Qian; Dechambenoit, Pierre; Woodruff, Daniel N.; Merzeau, Pascal; Buisson, Lionel; Jia, Xiaolu; Li, Dongfeng; Volatron, Florence; Mathonière, Corine; Clérac, Rodolphe","Metal-to-Metal Electron Transfer in Co/Fe Prussian Blue Molecular Analogues: The Ultimate Miniaturization.","Journal of the American Chemical Society","2014","136","44","15461","15464","10.1021/ja508094h","","","0.71073","MoKα","","0.0604","0.052","","","0.1396","0.143","","","","","","1.176","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122874","18.6572","0.0009","15.2008","0.0008","17.5964","0.0009","90","","90","","90","","4990.4","0.4","90","2","90","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C48 H49 B Co F3 Fe N16 O5 S -","- C48 H35 B Co F3 Fe N16 O5 S -","- C192 H140 B4 Co4 F12 Fe4 N64 O20 S4 -","4","0.5","","Koumousi, Evangelia S.; Jeon, Ie-Rang; Gao, Qian; Dechambenoit, Pierre; Woodruff, Daniel N.; Merzeau, Pascal; Buisson, Lionel; Jia, Xiaolu; Li, Dongfeng; Volatron, Florence; Mathonière, Corine; Clérac, Rodolphe","Metal-to-Metal Electron Transfer in Co/Fe Prussian Blue Molecular Analogues: The Ultimate Miniaturization.","Journal of the American Chemical Society","2014","136","44","15461","15464","10.1021/ja508094h","","","0.71073","MoKα","","0.1155","0.0992","","","0.2348","0.2431","","","","","","1.229","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122875","18.3266","0.0015","14.898","0.0011","17.4326","0.0014","90","","90","","90","","4759.6","0.6","120","2","120","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C45 H42 B Co F3 Fe N15 O4 S -","- C42 H35 B Co F3 Fe N14 O3 S -","- C168 H140 B4 Co4 F12 Fe4 N56 O12 S4 -","4","0.5","","Koumousi, Evangelia S.; Jeon, Ie-Rang; Gao, Qian; Dechambenoit, Pierre; Woodruff, Daniel N.; Merzeau, Pascal; Buisson, Lionel; Jia, Xiaolu; Li, Dongfeng; Volatron, Florence; Mathonière, Corine; Clérac, Rodolphe","Metal-to-Metal Electron Transfer in Co/Fe Prussian Blue Molecular Analogues: The Ultimate Miniaturization.","Journal of the American Chemical Society","2014","136","44","15461","15464","10.1021/ja508094h","","","0.71073","MoKα","","0.0715","0.0656","","","0.1806","0.184","","","","","","1.161","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122876","18.843","0.003","15.396","0.002","17.67","0.003","90","","90","","90","","5126.2","1.4","180","2","180","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C48 H49 B Co F3 Fe N16 O5 S -","- C48 H35 B Co F3 Fe N16 O5 S -","- C192 H140 B4 Co4 F12 Fe4 N64 O20 S4 -","4","0.5","","Koumousi, Evangelia S.; Jeon, Ie-Rang; Gao, Qian; Dechambenoit, Pierre; Woodruff, Daniel N.; Merzeau, Pascal; Buisson, Lionel; Jia, Xiaolu; Li, Dongfeng; Volatron, Florence; Mathonière, Corine; Clérac, Rodolphe","Metal-to-Metal Electron Transfer in Co/Fe Prussian Blue Molecular Analogues: The Ultimate Miniaturization.","Journal of the American Chemical Society","2014","136","44","15461","15464","10.1021/ja508094h","","","0.71073","MoKα","","0.0691","0.0595","","","0.1642","0.1737","","","","","","1.069","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122877","18.5561","0.0017","15.1628","0.0013","17.78","0.0016","90","","90","","90","","5002.6","0.8","200","2","200","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C45 H42 B Co F3 Fe N15 O4 S -","- C42 H35 B Co F3 Fe N14 O3 S -","- C168 H140 B4 Co4 F12 Fe4 N56 O12 S4 -","4","0.5","","Koumousi, Evangelia S.; Jeon, Ie-Rang; Gao, Qian; Dechambenoit, Pierre; Woodruff, Daniel N.; Merzeau, Pascal; Buisson, Lionel; Jia, Xiaolu; Li, Dongfeng; Volatron, Florence; Mathonière, Corine; Clérac, Rodolphe","Metal-to-Metal Electron Transfer in Co/Fe Prussian Blue Molecular Analogues: The Ultimate Miniaturization.","Journal of the American Chemical Society","2014","136","44","15461","15464","10.1021/ja508094h","","","0.71073","MoKα","","0.0685","0.0649","","","0.1807","0.1828","","","","","","1.183","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4123213","12.8184","0.0005","20.1485","0.0008","14.4433","0.0006","90","","90","","90","","3730.3","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H60 N2 Pt Sn2 -","- C28 H60 N2 Pt Sn2 -","- C112 H240 N8 Pt4 Sn8 -","4","0.5","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0439","0.0264","","","0.063","0.0763","","","","","","1.09","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123249","12.744","0.002","6.6351","0.0009","10.4218","0.0009","90","","90","","90","","881.2","0.2","180","2","180","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H15 N O -","- C10 H15 N O -","- C40 H60 N4 O4 -","4","0.5","","Komarov, Igor V.; Yanik, Stanislav; Ishchenko, Aleksandr Yu; Davies, John E.; Goodman, Jonathan M.; Kirby, Anthony J.","The Most Reactive Amide As a Transition-State Mimic For cis-trans Interconversion.","Journal of the American Chemical Society","2015","137","2","926","930","10.1021/ja511460a","","","0.71073","MoKα","","0.0692","0.0426","","","0.0994","0.1114","","","","","","1.021","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123305","25.5439","0.0008","26.3802","0.0008","38.325","0.0013","90","","90","","90","","25825.4","1.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C96 H92 F36 N12 P6 -","- C96 H92 F35.994 N12 P5.999 -","- C768 H736 F287.952 N96 P47.992 -","8","1","","Wang, Yuping; Frasconi, Marco; Liu, Wei-Guang; Liu, Zhichang; Sarjeant, Amy A.; Nassar, Majed S.; Botros, Youssry Y.; Goddard, 3rd, William A; Stoddart, J. Fraser","Folding of oligoviologens induced by radical-radical interactions.","Journal of the American Chemical Society","2015","137","2","876","885","10.1021/ja5111305","","","1.54178","CuKα","","0.1992","0.1047","","","0.3022","0.3286","","","","","","0.942","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123466","6.8161","0.001","5.4758","0.0009","9.1617","0.0012","90","","90","","90","","341.95","0.09","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Eu0.01 Gd0.99 Na O4 Si -","- Eu0.01 Gd0.99 Na O4 Si -","- Eu0.04 Gd3.96 Na4 O16 Si4 -","4","0.5","","Ananias, Duarte; Paz, Filipe A Almeida; Yufit, Dmitry S.; Carlos, Luís D; Rocha, João","Photoluminescent thermometer based on a phase-transition lanthanide silicate with unusual structural disorder.","Journal of the American Chemical Society","2015","137","8","3051","3058","10.1021/ja512745y","","","0.71073","MoKα","","0.0392","0.021","","","0.0391","0.0446","","","","","","1.165","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123539","14.142","0.003","12.831","0.003","17.562","0.004","90","","90","","90","","3186.7","1.2","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","{(PPMeP)NiI}{I(MeOH)}","","","- C26 H43 I2 Ni O P3 -","- C26 H43 I2 Ni O P3 -","- C104 H172 I8 Ni4 O4 P12 -","4","0.5","","Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho","Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation.","Journal of the American Chemical Society","2015","137","13","4280","4283","10.1021/ja513112r","","","0.71073","MoKα","","0.0665","0.0444","","","0.1109","0.1357","","","","","","1.086","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123885","12.3841","0.0009","10.5701","0.0012","11.6763","0.0013","90","","90","","90","","1528.4","0.3","","","","","","","","","","","dichloromethane","5","P n m a","-P 2ac 2n","62","","Title","","- C12 H20 Br N3 S -","- C12 H20 Br N3 S -","- C48 H80 Br4 N12 S4 -","4","0.5","","Talavera, Garazi; Peña, Javier; Alcarazo, Manuel","Dihalo(imidazolium)sulfuranes: A Versatile Platform for the Synthesis of New Electrophilic Group-Transfer Reagents.","Journal of the American Chemical Society","2015","137","27","8704","8707","10.1021/jacs.5b05287","","","","","","0.0389","0.0311","","","0.0754","0.0794","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123985","8.74","","9.84","","12.61","","90","","90","","90","","1084.48","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)3 (Zn Cl4) Cl","","- Cl5 H12 N3 Zn -","- Cl5 H12 N3 Zn -","- Cl20 H48 N12 Zn4 -","4","0.5","","Klug, H.P.; Alexander, L.","The Crystal Structure of Ammonium Pentachlorozincate","Journal of the American Chemical Society","1944","66","","1056","1064","","","","","","","","","","","","","","","","","","","","","","has coordinates","189055","2020-10-21","18:00:00",""
"4124026","9.6479","","10.4721","","9.3","","90","","90","","90","","939.614","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K (C F3)3 B N C","","- C4 B F9 K N -","- C4 B F9 K N -","- C16 B4 F36 K4 N4 -","4","0.5","","Finze, M.; Bernhardt, E.; Willner, H.; Lehmann, C.W.","Cyano-and isocyanotris(trifluoromethyl)borates: syntheses, spectroscopic properties, and solid state structures of K [(C F3)3 B C N] and K [(C F3)3 B N C]","Journal of the American Chemical Society","2005","127","","10712","10722","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124125","10.52587","0.00009","6.11525","0.00006","4.97031","0.00005","90","","90","","90","","319.931","0.005","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li6.5 O8 P1.5 Si0.5 -","- Li6.482 O8 P1.5 Si0.5 -","- Li12.964 O16 P3 Si -","2","0.25","","Deng, Yue; Eames, Christopher; Chotard, Jean-Noël; Lalère, Fabien; Seznec, Vincent; Emge, Steffen; Pecher, Oliver; Grey, Clare P.; Masquelier, Christian; Islam, M. Saiful","Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li4SiO4-Li3PO4 Solid Electrolytes.","Journal of the American Chemical Society","2015","137","28","9136","9145","10.1021/jacs.5b04444","powder diffraction","","1.59464","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.7004","2.8783","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124126","10.58917","0.0001","6.1152","0.00006","5.00565","0.00004","90","","90","","90","","324.14","0.005","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li7 O8 P Si -","- Li6.596 O8 P Si -","- Li13.192 O16 P2 Si2 -","2","0.25","","Deng, Yue; Eames, Christopher; Chotard, Jean-Noël; Lalère, Fabien; Seznec, Vincent; Emge, Steffen; Pecher, Oliver; Grey, Clare P.; Masquelier, Christian; Islam, M. Saiful","Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li4SiO4-Li3PO4 Solid Electrolytes.","Journal of the American Chemical Society","2015","137","28","9136","9145","10.1021/jacs.5b04444","powder diffraction","","1.59464","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.9228","3.8032","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124291","9.6181","0.0002","18.6227","0.0004","22.601","0.0005","90","","90","","90","","4048.18","0.15","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H60 N3 O U -","- C45 H60 N3 O U -","- C180 H240 N12 O4 U4 -","4","0.5","","Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C.","Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals.","Journal of the American Chemical Society","2015","137","34","11115","11125","10.1021/jacs.5b06217","","","0.71073","MoKα","","0.0403","0.0255","","","0.0583","0.0622","","","","","","1.002","","","","has coordinates,has disorder","154653","2020-10-21","18:00:00",""
"4124306","6.4658","0.0003","4.376","0.0002","13.3745","0.0006","90","","90","","90","","378.42","0.03","100","2","99.96","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cu Rb Te -","- Cu Rb Te -","- Cu4 Rb4 Te4 -","4","0.5","","Vermeer, Michael J DeVries; Zhang, Xiuwen; Trimarchi, Giancarlo; Donakowski, Martin D.; Chupas, Peter J.; Poeppelmeier, Kenneth R.; Zunger, Alex","Prediction and Synthesis of Strain Tolerant RbCuTe Crystals Based on Rotation of One-Dimensional Nano Ribbons within a Three-Dimensional Inorganic Network.","Journal of the American Chemical Society","2015","137","35","11383","11390","10.1021/jacs.5b06182","","","0.71073","MoKα","","0.0465","0.0403","","","0.094","0.0966","","","","","","1.134","","","","has coordinates","160534","2020-10-21","18:00:00",""
"4124365","39.196","0.0005","21.6988","0.0003","11.8286","0.0002","90","","90","","90","","10060.3","0.3","150","0.02","150","0.02","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C45 H59 I2 N3 O2 Si2 U -","- C45 H59 I2 N3 O2 Si2 U -","- C360 H472 I16 N24 O16 Si16 U8 -","8","1","","Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C.","Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals.","Journal of the American Chemical Society","2015","137","34","11115","11125","10.1021/jacs.5b06217","","","0.71073","MO-Kα","","0.079","0.065","","","0.165","0.175","","","","","","1.128","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4124486","7.70736","","5.92871","","10.50584","","90","","90","","90","","480.061","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba2 (V O3 N)","","- Ba2 N O3 V -","- Ba2 N1.034 O2.966 V -","- Ba8 N4.136 O11.864 V4 -","4","0.5","","Clarke, S.J.; Puyet, M.; Chalker, P.R.; Holman, J.; Michie, C.W.; Rosseinsky, M.J.","A first transition series pseudotetrahedral oxynitride anion: synthesis and characterization of Ba2 V O3 N","Journal of the American Chemical Society","2002","124","","3337","3342","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124538","5.43835","","7.66195","","5.38201","","90","","90","","90","","224.26","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na (Sb O3)","","- Na O3 Sb -","- Na O3 Sb -","- Na4 O12 Sb4 -","4","0.5","","Mizoguchi, H.; Woodward, P.M.; Byeon Song-Ho; Parise, J.B.","Polymorphism in Na Sb O3: structure and bonding in metal oxides","Journal of the American Chemical Society","2004","126","","3175","3184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124632","14","","13.54","","3.95","","90","","90","","90","","748.762","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","B3 Cl3 (N H)3","","- B3 Cl3 H3 N3 -","- B3 Cl3 N3 -","- B12 Cl12 N12 -","4","0.5","","Coursen, D.L.; Hoard, J.L.","The Structure of B-Trichloroborazole","Journal of the American Chemical Society","1952","74","","1742","1750","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124671","9.87","","13.03","","4.44","","90","","90","","90","","571.011","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Se (S C N)2","","- C2 N2 S2 Se -","- C2 N2 S2 Se -","- C8 N8 S8 Se4 -","4","0.5","","Ohlberg, S.M.; Vaughan, P.A.","The Crystal Structure of Selenium Dithiocyanate","Journal of the American Chemical Society","1954","76","","2649","2651","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124703","14.36","","10.61","","7.38","","90","","90","","90","","1124.41","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Cs2 Tl Cl5 (H2 O)","","- Cl5 Cs2 H2 O Tl -","- Cl5 Cs2 O Tl -","- Cl20 Cs8 O4 Tl4 -","4","0.5","","Watanabe, T.; Atoji, M.","Crystal Structure of Cesium pentachloromonoaquothallate, Cs2 Tl Cl5 (H2 O)","Journal of the American Chemical Society","1950","72","","3819","3820","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124705","6.353","","6.85","","4.393","","90","","90","","90","","191.175","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Y F3","","- F3 Y -","- F3 Y -","- F12 Y4 -","4","0.5","","Zalkin, A.; Templeton, D.H.","The crystal structure of Y F3 and related compounds","Journal of the American Chemical Society","1953","75","","2453","2458","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124795","16.64","","11.66","","8.71","","90","","90","","90","","1689.94","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","K4 (Mo (C N)8) (H2 O)2","","- C8 H4 K4 Mo N8 O2 -","- C8 K4 Mo N8 O2 -","- C32 K16 Mo4 N32 O8 -","4","0.5","","Hoard, J.L.; Glick, M.D.; Hamor, T.A.","Stereochemistry of Discrete Eight-Coordination. V. The Octacyanomolybdate(IV) Ion","Journal of the American Chemical Society","1968","90","","3177","3184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124870","14.1","","10.17","","7.16","","90","","90","","90","","1026.72","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(N H4)2 In Cl5 H2 O","","- Cl5 H10 In N2 O -","- Cl5 H10 In N2 O -","- Cl20 H40 In4 N8 O4 -","4","0.5","","Klug, H. P.; Kummer, E.; Alexander, L.","The Crystal Structure of Ammonium Pentachloroindate Monohydrate","Journal of the American Chemical Society","1948","70","","3064","3068","","","","","","","","","","","","","","","","","","","","","","has coordinates","189075","2020-10-21","18:00:00",""
"4125033","16.6101","0.0003","11.2973","0.0002","9.2725","0.0001","90","","90","","90","","1739.98","0.05","280","","280","","","","","","","","","4","P n m a","-P 2ac 2n","62","","tetra(n-butyl)ammonium silver(I) bis(dicyanoargentate)","","- C12 H20 Ag3 N5 -","- C12 H20 Ag3 N5 -","- C48 H80 Ag12 N20 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","1.54184","CuKα","","0.0268","0.0258","","0.067","0.0661","0.067","","","","","","0.951","","","","has coordinates,has disorder","183564","2020-10-21","18:00:00",""
"4125189","14.5078","0.0006","17.5364","0.0008","10.1577","0.0004","90","","90","","90","","2584.27","0.19","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H36 B10 O4 P2 Ru -","- C16 H36 B10 O4 P2 Ru -","- C64 H144 B40 O16 P8 Ru4 -","4","0.5","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","(BB)-Carboryne Complex of Ruthenium: Synthesis by Double B-H Activation at a Single Metal Center.","Journal of the American Chemical Society","2016","138","33","10531","10538","10.1021/jacs.6b05172","","x-ray","0.71073","MoKα","","0.0487","0.03","","","0.0576","0.0626","","","","","","1.037","","","","has coordinates","187923","2020-10-21","18:00:00",""
"4125283","43.9606","0.001","24.3886","0.0007","9.838","0.0002","90","","90","","90","","10547.7","0.4","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C162 H76 -","- C161.5 H76 -","- C646 H304 -","4","0.5","","Lee, Semin; Chénard, Etienne; Gray, Danielle L.; Moore, Jeffrey S.","Synthesis of Cycloparaphenyleneacetylene via Alkyne Metathesis: C70 Complexation and Copper-Free Triple Click Reaction.","Journal of the American Chemical Society","2016","138","42","13814","","10.1021/jacs.6b08752","","","0.71073","MoKα","","0.0964","0.0766","","","0.2054","0.217","","","","","","1.261","","","","has coordinates,has disorder","187932","2020-10-21","18:00:00",""
"4125625","8.3711","0.0004","17.0618","0.0009","18.6672","0.0009","90","","90","","90","","2666.2","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H32 Fe N4 O2 -","- C24 H32 Fe N4 O2 -","- C96 H128 Fe4 N16 O8 -","4","0.5","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.0477","0.0369","","","0.0909","0.0972","","","","","","1.044","","","","has coordinates","288469","2023-12-21","09:29:37",""
"4125962","15.833","0.0003","12.9988","0.0003","8.5257","0.0002","90","","90","","90","","1754.67","0.07","85","2","85","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H12 F8 N2 Ni -","- C19 H12 F8 N2 Ni -","- C76 H48 F32 N8 Ni4 -","4","0.5","","Chong, Eugene; Kampf, Jeff W.; Ariafard, Alireza; Canty, Allan J.; Sanford, Melanie S.","Oxidatively Induced C-H Activation at High Valent Nickel.","Journal of the American Chemical Society","2017","139","17","6058","6061","10.1021/jacs.7b02387","","","1.54184","CuKα","","0.0407","0.0391","","","0.1074","0.109","","","","","","1.085","","","","has coordinates,has disorder","197411","2020-10-21","18:00:00",""
"4126103","15.88344","0.00009","12.97082","0.00011","8.60488","0.00005","90","","90","","90","","1772.79","0.02","85","2","85","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H11 F9 N2 Ni -","- C19 H11 F9 N2 Ni -","- C76 H44 F36 N8 Ni4 -","4","0.5","","Chong, Eugene; Kampf, Jeff W.; Ariafard, Alireza; Canty, Allan J.; Sanford, Melanie S.","Oxidatively Induced C-H Activation at High Valent Nickel.","Journal of the American Chemical Society","2017","139","17","6058","6061","10.1021/jacs.7b02387","","","1.54184","CuKα","","0.0284","0.0283","","","0.0789","0.079","","","","","","1.079","","","","has coordinates,has disorder","197252","2020-10-21","18:00:00",""
"4126126","27.051","0.015","16.451","0.009","10.734","0.006","90","","90","","90","","4777","5","110","2","110.15","","","","","","","","","10","P n m a","-P 2ac 2n","62","","","","- C45 H39 Cl F6 N O6 P2 Pt S2 Sb -","- C45 H39 Cl F6 N O6 P2 Pt S2 Sb -","- C180 H156 Cl4 F24 N4 O24 P8 Pt4 S8 Sb4 -","4","0.5","","You, Di; Gabbaï, François P","Unmasking the Catalytic Activity of a Platinum Complex with a Lewis Acidic, Non-innocent Antimony Ligand.","Journal of the American Chemical Society","2017","139","20","6843","6846","10.1021/jacs.7b03287","","","0.71073","MoKα","","0.0459","0.0389","","","0.0899","0.0938","","","","","","1.103","","","","has coordinates,has disorder","197267","2020-10-21","18:00:00",""
"4126173","17.957","0.005","11.196","0.005","21.836","0.005","90","0.005","90","0.005","90","0.005","4390","3","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C13.5 H17.5 Cl4 Co1.5 Mn0.5 N2.5 O8 -","- C13.5 H17.5 Cl4 Co1.5 Mn0.5 N2.5 O8 -","- C108 H140 Cl32 Co12 Mn4 N20 O64 -","8","1","","Nguyen, Andy I.; Suess, Daniel L. M.; Darago, Lucy E.; Oyala, Paul H.; Levine, Daniel S.; Ziegler, Micah S.; Britt, R. David; Tilley, T. Don","Manganese-Cobalt Oxido Cubanes Relevant to Manganese-Doped Water Oxidation Catalysts.","Journal of the American Chemical Society","2017","139","15","5579","5587","10.1021/jacs.7b01792","","","0.71073","MoKα","","0.0623","0.0515","","","0.1579","0.1721","","","","","","1.047","","","","has coordinates","197299","2020-10-21","18:00:00",""
"4126259","17.3351","0.0005","25.9113","0.0007","5.2088","0.0001","90","","90","","90","","2339.66","0.1","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C36 H23 F -","- C36 H23 F -","- C144 H92 F4 -","4","0.5","","Kistemaker, Jos C. M.; Stacko, Peter; Roke, Diederik; Wolters, Alexander Thomas; Heideman, G. Henrieke; Chang, Mu-Chieh; van der Meulen, Pieter; Visser, Johan; Otten, Edwin; Feringa, Ben L.","Third Generation Light-Driven Symmetric Molecular Motors.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04412","","","0.71073","MoKα","","0.0463","0.037","","","0.0884","0.0938","","","","","","1.03","","","","has coordinates","198491","2020-10-21","18:00:00",""
"4126408","24.6141","0.0009","19.4717","0.0007","8.0534","0.0003","90","","90","","90","","3859.8","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23.5 H24 Co0.5 N2.5 O0.5 -","- C23.5 H24 Co0.5 N2.5 O0.5 -","- C188 H192 Co4 N20 O4 -","8","1","","Tokmic, Kenan; Jackson, Bailey J.; Salazar, Andrea; Woods, Toby J.; Fout, Alison R.","Cobalt-Catalyzed and Lewis Acid-Assisted Nitrile Hydrogenation to Primary Amines: A Combined Effort","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07368","","x-ray","0.71073","MoKα","","0.0469","0.0394","","","0.0963","0.101","","","","","","1.09","","","","has coordinates,has disorder","200900","2020-10-21","18:00:00",""
"4126531","13.4877","0.0008","20.2357","0.0009","25.9673","0.0019","90","","90","","90","","7087.3","0.7","100.01","0.1","100.01","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C59 H84 Cl2 Ga2 N4 P14 -","- C59 H84 Cl2 Ga2 N4 P14 -","- C236 H336 Cl8 Ga8 N16 P56 -","4","0.5","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.1079","0.0748","","","0.1805","0.2028","","","","","","1.043","","","","has coordinates,has disorder","201623","2020-10-21","18:00:00",""
"4126584","21.9649","0.0015","20.8793","0.0015","11.315","0.0008","90","","90","","90","","5189.2","0.6","93","2","93","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C25 H36 O4 -","- C25 H36 O4 -","- C200 H288 O32 -","8","1","","Kim, Byoungmoo; Storch, Golo; Banerjee, Gourab; Mercado, Brandon Q.; Castillo-Lora, Janelle; Brudvig, Gary W.; Mayer, James M.; Miller, Scott J.","Stereodynamic Quinone-Hydroquinone Molecules That Enantiomerize at sp(3)-Carbon via Redox-Interconversion.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09176","","","1.54178","CuKα","","0.0727","0.0605","","","0.1633","0.1759","","","","","","1.046","","","","has coordinates","201946","2020-10-21","18:00:00",""
"4126586","13.5005","0.0009","18.3699","0.0013","7.0032","0.0005","90","","90","","90","","1736.8","0.2","93","2","93","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","0.5","","Kim, Byoungmoo; Storch, Golo; Banerjee, Gourab; Mercado, Brandon Q.; Castillo-Lora, Janelle; Brudvig, Gary W.; Mayer, James M.; Miller, Scott J.","Stereodynamic Quinone-Hydroquinone Molecules That Enantiomerize at sp(3)-Carbon via Redox-Interconversion.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09176","","","1.54178","CuKα","","0.0482","0.0404","","","0.1069","0.1129","","","","","","1.046","","","","has coordinates,has disorder","201948","2020-10-21","18:00:00",""
"4126717","9.763","0.0003","10.5338","0.0003","13.3513","0.0004","90","","90","","90","","1373.07","0.07","20","2","20","2","","","","","","","","5","P n m a","-P 2ac 2n","62","FeCl3(PMe3)2","","","- C6 H18 Cl3 Fe P2 -","- C6 H18 Cl3 Fe P2 -","- C24 H72 Cl12 Fe4 P8 -","4","0.5","","Feng, Xiaowen; Hwang, Seung Jun; Liu, Jun-Liang; Chen, Yan-Cong; Tong, Ming-Liang; Nocera, Daniel G.","Slow Magnetic Relaxation in Intermediate Spin S = 3/2 Mononuclear Fe(III) Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09699","","","0.41328","synchrotron","","0.0152","0.0144","","","0.0401","0.0405","","","","","","1.138","","","","has coordinates,has disorder","203085","2020-10-21","18:00:00",""
"4126759","21.429","0.004","16.96","0.003","9.3624","0.0014","90","","90","","90","","3402.6","1","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Compound15","Compound15","","- C39 H48 N2 Ni O -","- C39 H48 N2 Ni O -","- C156 H192 N8 Ni4 O4 -","4","0.5","","Saper, Noam I.; Hartwig, John F.","Mechanistic Investigations of the Hydrogenolysis of Diaryl Ethers Catalyzed by Nickel Complexes of N-Heterocyclic Carbene Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10537","","","0.71073","MoKα","","0.1875","0.0801","","","0.1825","0.2491","","","","","","1.03","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4127252","12.895","0.004","13.313","0.005","9.993","0.003","90","","90","","90","","1715.5","1","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H25 B11 N2 -","- C9 H25 B11 N2 -","- C36 H100 B44 N8 -","4","0.5","","Liu, Yizhen; Su, Bo; Dong, Weishi; Li, Zhen Hua; Wang, Huadong","Structural Characterization of a Boron(III) η<sup>2</sup>-σ-Silane-Complex.","Journal of the American Chemical Society","2019","141","20","8358","8363","10.1021/jacs.9b03213","","","0.71073","MoKα","","0.1059","0.0927","","","0.2138","0.2206","","","","","","1.14","","","","has coordinates","223195","2020-10-21","18:00:00",""
"4127358","10.45","0.0005","4.7965","0.0002","17.7602","0.0008","90","","90","","90","","890.2","0.07","295","","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cesium lead triiodoplumbate","","- Cs I3 Pb -","- Cs I3 Pb -","- Cs4 I12 Pb4 -","4","0.5","","Straus, Daniel B.; Guo, Shu; Cava, Robert J.","Kinetically Stable Single Crystals of Perovskite-Phase CsPbI<sub>3</sub>.","Journal of the American Chemical Society","2019","141","29","11435","11439","10.1021/jacs.9b06055","","","0.71073","MoKα","","0.029","0.0202","","","0.0313","0.033","","","","","","1.107","","","","has coordinates","220640","2020-10-21","18:00:00",""
"4127359","8.8637","0.0008","12.4838","0.0012","8.5783","0.0008","90","","90","","90","","949.21","0.15","295","2","295.03","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cs I3 Pb -","- Cs I3 Pb -","- Cs4 I12 Pb4 -","4","0.5","","Straus, Daniel B.; Guo, Shu; Cava, Robert J.","Kinetically Stable Single Crystals of Perovskite-Phase CsPbI<sub>3</sub>.","Journal of the American Chemical Society","2019","141","29","11435","11439","10.1021/jacs.9b06055","","","0.71073","MoKα","","0.0645","0.0349","","","0.0599","0.0679","","","","","","1.047","","","","has coordinates","220641","2020-10-21","18:00:00",""
"4127557","16.0863","0.0011","13.4144","0.0003","7.6365","0.0001","90","","90","","90","","1647.87","0.12","85","2","85","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H10 B F9 N6 Ni -","- C12 H10 B F9 N6 Ni -","- C48 H40 B4 F36 N24 Ni4 -","4","0.5","","Bour, James R.; Ferguson, Devin M.; McClain, Edward J.; Kampf, Jeff W.; Sanford, Melanie S.","Connecting Organometallic Ni(III) and Ni(IV): Reactions of Carbon-Centered Radicals with High-Valent Organonickel Complexes.","Journal of the American Chemical Society","2019","141","22","8914","8920","10.1021/jacs.9b02411","","","1.54178","CuKα","","0.037","0.0364","","","0.1024","0.1031","","","","","","1.095","","","","has coordinates","220779","2020-10-21","18:00:00",""
"4127598","11.1875","0.0008","7.2452","0.0005","17.2577","0.0012","90","","90","","90","","1398.83","0.17","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H15 Cl2 Ga N2 -","- C13 H15 Cl2 Ga N2 -","- C52 H60 Cl8 Ga4 N8 -","4","0.5","","Wan, Wang; Silva, Mayura S.; McMillen, Colin D.; Creager, Stephen E.; Smith, Rhett C.","Highly Luminescent Heavier Main Group Analogues of Boron-Dipyrromethene.","Journal of the American Chemical Society","2019","141","22","8703","8707","10.1021/jacs.9b03235","","","0.71073","MoKα","","0.0297","0.0231","","","0.0514","0.0535","","","","","","1.088","","","","has coordinates,has disorder","220810","2020-10-21","18:00:00",""
"4127657","16.4023","0.0004","22.4936","0.0006","24.455","0.0006","90","","90","","90","","9022.6","0.4","170","2","170.01","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C71 H72 F18 O18 Ru3 S6 -","- C71 H72 F18 O18 Ru3 S6 -","- C284 H288 F72 O72 Ru12 S24 -","4","0.5","","Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe","π-Metalated [1<sub>5</sub>]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.","Journal of the American Chemical Society","2019","141","41","16501","16511","10.1021/jacs.9b09582","","","1.34139","GaKα","","0.0729","0.0662","","","0.1924","0.1994","","","","","","1.032","","","","has coordinates,has disorder","220862","2020-10-21","18:00:00",""
"4127658","15.4626","0.0003","22.4905","0.0004","24.0086","0.0004","90","","90","","90","","8349.3","0.3","170","2","170.01","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C69 H72 B2 F20 O12 Ru3 S4 -","- C69 H72 B2 F20 O12 Ru3 S4 -","- C276 H288 B8 F80 O48 Ru12 S16 -","4","0.5","","Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe","π-Metalated [1<sub>5</sub>]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.","Journal of the American Chemical Society","2019","141","41","16501","16511","10.1021/jacs.9b09582","","","1.34139","GaKα","","0.0823","0.0733","","","0.2135","0.2223","","","","","","1.047","","","","has coordinates,has disorder","220862","2020-10-21","18:00:00",""
"4127659","16.3814","0.0004","22.5055","0.0005","23.9817","0.0006","90","","90","","90","","8841.4","0.4","170","2","169.99","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C66 H69 F6 O22 Re4 Ru3 S2 -","- C66 H69 F6 O22 Re4 Ru3 S2 -","- C264 H276 F24 O88 Re16 Ru12 S8 -","4","0.5","","Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe","π-Metalated [1<sub>5</sub>]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.","Journal of the American Chemical Society","2019","141","41","16501","16511","10.1021/jacs.9b09582","","","1.34139","GaKα","","0.125","0.1162","","","0.2779","0.2843","","","","","","1.209","","","","has coordinates,has disorder","220862","2020-10-21","18:00:00",""
"4127661","16.2763","0.0006","22.5468","0.0007","24.1052","0.0008","90","","90","","90","","8846.1","0.5","170","2","169.99","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C70.5 H72 Cl0.5 F16.5 O18.5 Ru3 S5.5 -","- C70.5 H72 Cl0.5 F16.5 O18.5 Ru3 S5.5 -","- C282 H288 Cl2 F66 O74 Ru12 S22 -","4","0.5","","Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe","π-Metalated [1<sub>5</sub>]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.","Journal of the American Chemical Society","2019","141","41","16501","16511","10.1021/jacs.9b09582","","","1.34139","GaKα","","0.0709","0.0648","","","0.1961","0.2037","","","","","","1.027","","","","has coordinates,has disorder","220862","2020-10-21","18:00:00",""
"4127704","11.7701","0.0009","17.5799","0.0014","25.634","0.002","90","","90","","90","","5304.1","0.7","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C42.15 H14.67 N O0.34 S2.31 -","- C42.154 H14.673 N O0.3365 S2.308 -","- C337.232 H117.384 N8 O2.692 S18.464 -","8","1","","Hashikawa, Yoshifumi; Murata, Yasujiro","H<sub>2</sub>O/Olefinic-π Interaction inside a Carbon Nanocage.","Journal of the American Chemical Society","2019","141","32","12928","12938","10.1021/jacs.9b06759","","","0.71073","MoKα","","0.0762","0.0631","","","0.1777","0.1936","","","","","","1.084","","","","has coordinates,has disorder","220898","2020-10-21","18:00:00",""
"4127767","16.04116","0.00011","13.40403","0.00008","7.62996","0.00005","90","","90","","90","","1640.56","0.018","85","2","85","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H10 B F9 N6 Ni -","- C12 H10 B F9 N6 Ni -","- C48 H40 B4 F36 N24 Ni4 -","4","0.5","","Meucci, Elizabeth A.; Nguyen, Shay N.; Camasso, Nicole M.; Chong, Eugene; Ariafard, Alireza; Canty, Allan J.; Sanford, Melanie S.","Nickel(IV)-Catalyzed C-H Trifluoromethylation of (Hetero)arenes.","Journal of the American Chemical Society","2019","141","32","12872","12879","10.1021/jacs.9b06383","","","1.54184","CuKα","","0.0297","0.0296","","","0.0791","0.0792","","","","","","1.116","","","","has coordinates","220938","2020-10-21","18:00:00",""
"4127821","9.5672","0.0011","3.2014","0.0005","6.104","0.0007","90","","90","","90","","186.96","0.04","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- B Na2 P2 -","- B0.94 Na2 P2 -","- B1.88 Na4 P4 -","2","0.25","","Woo, Katherine E.; Wang, Jian; Mark, Justin; Kovnir, Kirill","Directing Boron-Phosphorus Bonds in Crystalline Solid: Oxidative Polymerization of P═B═P Monomers into 1D Chains.","Journal of the American Chemical Society","2019","141","33","13017","13021","10.1021/jacs.9b06803","","","0.71073","MoKα","","0.082","0.0505","","","0.1157","0.1275","","","","","","1.124","","","","has coordinates","220993","2020-10-21","18:00:00",""
"4127840","14.4891","0.0001","18.8696","0.0002","8.5264","0.0001","90","","90","","90","","2331.15","0.04","85","2","85","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C25 H18 B D6 F N8 Ni -","- C25 H18 B D6 F N8 Ni -","- C100 H72 B4 D24 F4 N32 Ni4 -","4","0.5","","Meucci, Elizabeth A.; Ariafard, Alireza; Canty, Allan J.; Kampf, Jeff W.; Sanford, Melanie S.","Aryl-Fluoride Bond-Forming Reductive Elimination from Nickel(IV) Centers.","Journal of the American Chemical Society","2019","141","33","13261","13267","10.1021/jacs.9b06896","","","1.54184","CuKα","","0.0304","0.0303","","","0.0761","0.0762","","","","","","1.104","","","","has coordinates","221012","2020-10-21","18:00:00",""
"4127897","21.4652","0.0009","17.9517","0.0008","9.739","0.0004","90","","90","","90","","3752.8","0.3","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H54 B Fe N7 O2 -","- C36 H54 B Fe N7 O2 -","- C144 H216 B4 Fe4 N28 O8 -","4","0.5","","Valdez-Moreira, Juan A; Thorarinsdottir, Agnes E.; DeGayner, Jordan A.; Lutz, Sean A.; Chen, Chun-Hsing; Losovyj, Yaroslav; Pink, Maren; Harris, T. David; Smith, Jeremy M.","Strong π-Backbonding Enables Record Magnetic Exchange Coupling Through Cyanide.","Journal of the American Chemical Society","2019","141","43","17092","17097","10.1021/jacs.9b09445","","","0.71073","MoKα","","0.0771","0.0724","","0.2152","0.2083","0.2152","","","","","","1.014","","","","has coordinates,has disorder","221055","2020-10-21","18:00:00",""
"4127972","19.903","0.004","18.583","0.003","10.166","0.002","90","","90","","90","","3760","1.2","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H56.25 Al N2 P Se -","- C40 H56 Al N2 P Se -","- C160 H224 Al4 N8 P4 Se4 -","4","0.5","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.0907","0.0523","","","0.125","0.146","","","","","","1.042","","","","has coordinates","221117","2020-10-21","18:00:00",""
"4127973","20.879","0.004","20.184","0.004","10.7723","0.0015","90","","90","","90","","4539.7","1.4","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C53 H66 Al N2 O P -","- C53 H66 Al N2 O P -","- C212 H264 Al4 N8 O4 P4 -","4","0.5","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.0687","0.0437","","","0.1032","0.1207","","","","","","0.878","","","","has coordinates,has disorder","221117","2020-10-21","18:00:00",""
"4128004","17.78429","0.00017","12.32688","0.00014","10.75495","0.0001","90","","90","","90","","2357.75","0.04","100","0.1","100","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H38 Cl N3 Ru -","- C22 H38 Cl N3 Ru -","- C88 H152 Cl4 N12 Ru4 -","4","0.5","","Tan, Jin-Fay; Bormann, Carl T.; Perrin, Florian G.; Chadwick, F. Mark; Severin, Kay; Cramer, Nicolai","Divergent Synthesis of Densely Substituted Arenes and Pyridines via Cyclotrimerization Reactions of Alkynyl Triazenes.","Journal of the American Chemical Society","2019","141","26","10372","10383","10.1021/jacs.9b04111","","x-ray","1.54184","CuKα","","0.032","0.0315","","","0.0765","0.0768","","","","","","1.068","","","","has coordinates,has disorder","221143","2020-10-21","18:00:00",""
"4128068","12.3345","0.0006","8.4335","0.0004","9.7578","0.0005","90","","90","","90","","1015.04","0.09","93","2","93","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H14 Cl N O4 -","- C8 H14 Cl N O4 -","- C32 H56 Cl4 N4 O16 -","4","0.5","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.0491","0.0418","","","0.1161","0.1228","","","","","","1.065","","","","has coordinates","221199","2020-10-21","18:00:00",""
"4128074","11.4473","0.0007","8.1623","0.0006","11.6646","0.0007","90","","90","","90","","1089.9","0.12","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H16 Cl N O4 -","- C8 H16 Cl N O4 -","- C32 H64 Cl4 N4 O16 -","4","0.5","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.1297","0.1208","","","0.3244","0.3355","","","","","","1.011","","","","has coordinates,has disorder","221205","2020-10-21","18:00:00",""
"4128075","12.6355","0.0012","8.692","0.0007","9.6224","0.0007","90","","90","","90","","1056.81","0.15","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H14 Cl N O4 -","- C8 H14 Cl N O4 -","- C32 H56 Cl4 N4 O16 -","4","0.5","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.1442","0.127","","","0.3422","0.3541","","","","","","1.022","","","","has coordinates,has disorder","221206","2020-10-21","18:00:00",""
"4128530","7.7219","0.0009","15.438","0.0018","16.476","0.002","90","","90","","90","","1964.1","0.4","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H26 N Rh -","- C24 H26 N Rh -","- C96 H104 N4 Rh4 -","4","0.5","","Kim, Jinwoo; Shin, Kwangmin; Jin, Seongho; Kim, Dongwook; Chang, Sukbok","Oxidatively Induced Reductive Elimination: Exploring the Scope and Catalyst Systems with Ir, Rh, and Ru Complexes.","Journal of the American Chemical Society","2019","141","9","4137","4146","10.1021/jacs.9b00364","","","0.71073","MoKα","","0.122","0.0551","","","0.1169","0.1378","","","","","","1.038","","","","has coordinates,has disorder","221612","2020-10-21","18:00:00",""
"4128894","20.577","0.002","21.446","0.002","25.391","0.003","90","","90","","90","","11205","2","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C22 H119 Mo3 N11 Na O96 Se2 W21 -","- C8.7 Mo3 N4.5 Na0.4 O85.7 Se2 W21 -","- C34.8 Mo12 N18 Na1.6 O342.8 Se8 W84 -","4","0.5","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.0966","0.0754","","","0.1888","0.2179","","","","","","1.258","","","","has coordinates,has disorder","221929","2020-10-21","18:00:00",""
"4128895","35.244","0.002","21.9528","0.0013","15.0516","0.0008","90","","90","","90","","11645.5","1.1","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C20 H113 Mo3 N10 Na2 O96 P2 W21 -","- C3.9 Mo3 N2.9 Na1.4 O96.5 P2.14 W20.79 -","- C15.6 Mo12 N11.6 Na5.6 O386 P8.56 W83.16 -","4","0.5","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.1443","0.1167","","","0.2465","0.2791","","","","","","1.193","","","","has coordinates,has disorder","221930","2020-10-21","18:00:00",""
"4128896","35.22","0.003","22.1684","0.0019","15.0386","0.0011","90","","90","","90","","11741.7","1.7","150","2","150","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C22 H120 Mo3 N11 Na O96 P Te W21 -","- C14.4 H Mo3 N9.2 Na O95.2 P Te W21 -","- C57.6 H4 Mo12 N36.8 Na4 O380.8 P4 Te4 W84 -","4","0.5","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.12","0.1084","","","0.2465","0.2562","","","","","","1.203","","","","has coordinates,has disorder","221931","2020-10-21","18:00:00",""
"4129049","5.6452","0.0004","7.3942","0.0004","5.2218","0.0003","90","","90","","90","","217.97","0.02","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","Yttrium manganese oxide","Yttrium trimanganese(III) trioxide","","- Mn O3.11 Y -","- Mn O3.11 Y -","- Mn4 O12.44 Y4 -","4","0.5","","Todd, Paul K.; Neilson, James R.","Selective Formation of Yttrium Manganese Oxides through Kinetically Competent Assisted Metathesis Reactions.","Journal of the American Chemical Society","2019","141","3","1191","1195","10.1021/jacs.8b10123","","","1.54","neutron","","","","","","","","","","10.282","","","","","","","has coordinates","222052","2020-10-21","18:00:00",""
"4129077","7.7195","0.0004","34.73","0.003","7.813","0.0006","90","","90","","90","","2094.7","0.3","300","2","300","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H18 Cl4 F2 N2 Pb -","- C14 H18 Cl4 F2 N2 Pb -","- C56 H72 Cl16 F8 N8 Pb4 -","4","0.5","","Shi, Ping-Ping; Lu, Si-Qi; Song, Xian-Jiang; Chen, Xiao-Gang; Liao, Wei-Qiang; Li, Peng-Fei; Tang, Yuan-Yuan; Xiong, Ren-Gen","Two-dimensional Organic-Inorganic Perovskite Ferroelectric Semiconductor with the Fluorinated Aromatic Spacers.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10048","","","0.71073","MoKα","","0.1291","0.1031","","","0.2622","0.2844","","","","","","1.123","","","","has coordinates","223373","2020-10-21","18:00:00",""
"4129239","23.0774","0.0018","13.6982","0.001","7.9439","0.0006","90","","90","","90","","2511.2","0.3","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","(Tp*)CoS(2,6-Me2-Ph)","","","- C23 H31 B Co N6 S -","- C23 H31 B Co N6 S -","- C92 H124 B4 Co4 N24 S4 -","4","0.5","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.07","0.0468","","","0.0722","0.0737","","","","","","2.108","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129455","27.044","0.004","37.9","0.006","12.5753","0.0018","90","","90","","90","","12889","3","120","2","120","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl2 F6 N4 O6 P Rh -","- C24 H24 Cl2 F6 N4 O6 P Rh -","- C384 H384 Cl32 F96 N64 O96 P16 Rh16 -","16","2","","Kotani, Hiroaki; Sugiyama, Takumi; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Redox-Noninnocent Behavior of Tris(2-pyridylmethyl)amine Bound to a Lewis Acidic Rh(III) Ion Induced by C-H Deprotonation.","Journal of the American Chemical Society","2015","137","35","11222","11225","10.1021/jacs.5b06237","","","0.71073","MoKα","","0.0454","0.0397","","","0.1026","0.1059","","","","","","1.037","","","","has coordinates,has disorder","240170","2020-10-21","18:00:00",""
"4129810","17.7962","0.0011","4.5112","0.0003","11.1382","0.0006","90","","90","","90","","894.2","0.09","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","INT-2","","","- C2 H6 I2 O Pb S -","- C2 H6 I2 O Pb S -","- C8 H24 I8 O4 Pb4 S4 -","4","0.5","","Guo, Yunlong; Shoyama, Kazutaka; Sato, Wataru; Matsuo, Yutaka; Inoue, Kento; Harano, Koji; Liu, Chao; Tanaka, Hideyuki; Nakamura, Eiichi","Chemical Pathways Connecting Lead(II) Iodide and Perovskite via Polymeric Plumbate(II) Fiber.","Journal of the American Chemical Society","2015","137","50","15907","15914","10.1021/jacs.5b10599","","","1.54187","CuKα","","0.0833","0.0758","","","0.1716","0.1769","","","","","","1.202","","","","has coordinates,has disorder","240463","2020-10-21","18:00:00",""
"4129812","17.9494","0.0009","4.5326","0.0002","11.2165","0.0006","90","","90","","90","","912.55","0.08","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","INT-2","","","- C2 H6 I2 O Pb S -","- C2 H6 I2 O Pb S -","- C8 H24 I8 O4 Pb4 S4 -","4","0.5","","Guo, Yunlong; Shoyama, Kazutaka; Sato, Wataru; Matsuo, Yutaka; Inoue, Kento; Harano, Koji; Liu, Chao; Tanaka, Hideyuki; Nakamura, Eiichi","Chemical Pathways Connecting Lead(II) Iodide and Perovskite via Polymeric Plumbate(II) Fiber.","Journal of the American Chemical Society","2015","137","50","15907","15914","10.1021/jacs.5b10599","","","1.54187","CuKα","","0.0766","0.0646","","","0.136","0.1428","","","","","","1.187","","","","has coordinates","240465","2020-10-21","18:00:00",""
"4129901","8.2499","0.0004","11.6336","0.0006","8.1398","0.0004","90","","90","","90","","781.23","0.07","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Poly[methylammonium tris(mu!2$-formato-k2O:O')cobalt(II)]","","- C4 H9 Co N O6 -","- C4 H9 Co N O6 -","- C16 H36 Co4 N4 O24 -","4","0.5","","Gómez-Aguirre, L Claudia; Pato-Doldán, Breogán; Mira, J.; Castro-García, Socorro; Señarís-Rodríguez, María Antonia; Sánchez-Andújar, Manuel; Singleton, John; Zapf, Vivien S.","Magnetic Ordering-Induced Multiferroic Behavior in [CH3NH3][Co(HCOO)3] Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","4","1122","1125","10.1021/jacs.5b11688","","","0.71073","MoKα","","0.0465","0.0374","","","0.0977","0.1037","","","","","","1.018","","","","has coordinates","240550","2020-10-21","18:00:00",""
"4129910","11.4731","0.0004","8.214","0.0002","7.6132","0.0003","90","","90","","90","","717.47","0.04","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H9 B F3 N O -","- C6 H9 B F3 N O -","- C24 H36 B4 F12 N4 O4 -","4","0.5","","Liniger, Marc; VanderVelde, David G.; Takase, Michael K.; Shahgholi, Mona; Stoltz, Brian M.","Total Synthesis and Characterization of 7-Hypoquinuclidonium Tetrafluoroborate and 7-Hypoquinuclidone BF3 Complex.","Journal of the American Chemical Society","2016","138","3","969","974","10.1021/jacs.5b11750","","","0.71073","MoKα","","0.0404","0.0317","","","0.0824","0.0863","","","","","","1.038","","","","has coordinates","240554","2020-10-21","18:00:00",""
"4130478","24.2162","0.0009","18.0709","0.0007","12.735","0.0005","90","","90","","90","","5572.9","0.4","183","2","183","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C109 H0 La2 N0 Ni0 S6 -","- C109 La2 S6 -","- C436 La8 S24 -","4","0.5","","Cai, Wenting; Li, Fang-Fang; Bao, Lipiao; Xie, Yunpeng; Lu, Xing","Isolation and Crystallographic Characterization of La2C2@Cs(574)-C102 and La2C2@C2(816)-C104: Evidence for the Top-Down Formation Mechanism of Fullerenes.","Journal of the American Chemical Society","2016","138","20","6670","6675","10.1021/jacs.6b03934","","","0.71073","MoKα","","0.1061","0.0794","","","0.2521","0.2801","","","","","","1.156","","","","has coordinates,has disorder","240902","2020-10-21","18:00:00",""
"4130484","20.9653","0.0006","15.2285","0.0004","14.6886","0.0004","90","","90","","90","","4689.6","0.2","90","","90","","","","","","","","","4","P n m a","-P 2ac 2n","62","Ce@C82-CH2(C6H3Me2)-1d/CS2","","","- C92 H11 Ce S2 -","- C92 H11 Ce S2 -","- C368 H44 Ce4 S8 -","4","0.5","","Takano, Yuta; Tashita, Ryo; Suzuki, Mitsuaki; Nagase, Shigeru; Imahori, Hiroshi; Akasaka, Takeshi","Molecular Location Sensing Approach by Anisotropic Magnetism of an Endohedral Metallofullerene.","Journal of the American Chemical Society","2016","138","25","8000","8006","10.1021/jacs.6b04037","","","0.71073","MoKα","","0.1113","0.0986","","","0.266","0.2772","","","","","","1.097","","","","has coordinates,has disorder","240905","2020-10-21","18:00:00",""
"4130835","31.894","0.002","15.394","0.001","7.9405","0.0005","90","","90","","90","","3898.6","0.4","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H53 Cl Hf Si2 Sn -","- C40 H53 Cl Hf Si2 Sn -","- C160 H212 Cl4 Hf4 Si8 Sn4 -","4","0.5","","Kuwabara, Takuya; Nakada, Marisa; Hamada, Jumpei; Guo, Jing Dong; Nagase, Shigeru; Saito, Masaichi","(η(4)-Butadiene)Sn(0) Complexes: A New Approach for Zero-Valent p-Block Elements Utilizing a Butadiene as a 4π-Electron Donor.","Journal of the American Chemical Society","2016","138","35","11378","11382","10.1021/jacs.6b07304","","","0.71073","MoKα","","0.0483","0.0387","","","0.0779","0.0811","","","","","","1.099","","","","has coordinates","241195","2020-10-21","18:00:00",""
"4131023","12.556","0.007","26.674","0.015","8.038","0.004","90","","90","","90","","2692","3","93","2","93","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H46 Bi Cl Si2 -","- C23 H46 Bi Cl Si2 -","- C92 H184 Bi4 Cl4 Si8 -","4","0.5","","Ishii, Takuya; Suzuki, Katsunori; Nakamura, Taichi; Yamashita, Makoto","An Isolable Bismabenzene: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2016","138","39","12787","12790","10.1021/jacs.6b08714","","","0.71075","MoKα","","0.0467","0.0385","","","0.0868","0.0911","","","","","","1.099","","","","has coordinates","241332","2020-10-21","18:00:00",""
"4131452","21.9571","0.0006","11.9882","0.0003","4.8706","0.0001","90","","90","","90","","1282.07","0.05","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H24 N P -","- C13 H24 N P -","- C52 H96 N4 P4 -","4","0.5","","Transue, Wesley J.; Velian, Alexandra; Nava, Matthew; García-Iriepa, Cristina; Temprado, Manuel; Cummins, Christopher C.","Mechanism and Scope of Phosphinidene Transfer from Dibenzo-7-phosphanorbornadiene Compounds.","Journal of the American Chemical Society","2017","139","31","10822","10831","10.1021/jacs.7b05464","","","0.71073","MoKα","","0.0327","0.0303","","","0.0836","0.0863","","","","","","1.064","","","","has coordinates,has disorder","241650","2020-10-21","18:00:00",""
"4131466","27.1623","0.0009","12.2012","0.0005","15.2011","0.0005","90","","90","","90","","5037.8","0.3","150","0.1","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C52 H69 I N4 Pd Yb -","- C31 H45 I N4 Pd Yb -","- C124 H180 I4 N16 Pd4 Yb4 -","4","0.5","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.0548","0.0412","","","0.116","0.1224","","","","","","1.052","","","","has coordinates","241658","2020-10-21","18:00:00",""
"4131519","13.777","0.003","6.4606","0.0013","13.925","0.003","90","","90","","90","","1239.4","0.5","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","0.5","","Gong, Yanjun; Zhang, Yifan; Xiong, Wei; Zhang, Ke; Che, Yanke; Zhao, Jincai","Molecular Interactions Control Quantum Chain Reactions toward Distinct Photoresponsive Properties of Molecular Crystals.","Journal of the American Chemical Society","2017","139","31","10649","10652","10.1021/jacs.7b06261","","","0.71073","MoKα","","0.1049","0.0965","","","0.2176","0.2367","","","","","","1.053","","","","has coordinates,has disorder","241709","2020-10-21","18:00:00",""
"4131559","20.861","0.004","16.206","0.003","12.709","0.002","90","","90","","90","","4296.6","1.3","123","2","123","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C16 H4.5 Al0.5 Co0.5 Cr0.5 F18 O4.5 -","- C16 H4.5 Al0.5 Co0.5 Cr0.5 F18 O4.5 -","- C128 H36 Al4 Co4 Cr4 F144 O36 -","8","1","","Wang, Wenqing; Li, Jing; Yin, Lei; Zhao, Yue; Ouyang, Zhongwen; Wang, Xinping; Wang, Zhenxing; Song, You; Power, Philip P.","Half-Sandwich Metal Carbonyl Complexes as Precursors to Functional Materials: From a Near-Infrared-Absorbing Dye to a Single-Molecule Magnet.","Journal of the American Chemical Society","2017","139","34","12069","12075","10.1021/jacs.7b06795","","","0.71073","MoKα","","0.0788","0.0661","","","0.1635","0.1708","","","","","","1.15","","","","has coordinates,has disorder","241739","2020-10-21","18:00:00",""
"4131746","14.2097","0.0006","16.6236","0.0008","11.1509","0.0006","90","","90","","90","","2634","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H9 F27 Mo O3 -","- C18 H9 F27 Mo O3 -","- C72 H36 F108 Mo4 O12 -","4","0.5","","Estes, Deven P.; Gordon, Christopher P.; Fedorov, Alexey; Liao, Wei-Chih; Ehrhorn, Henrike; Bittner, Celine; Zier, Manuel Luca; Bockfeld, Dirk; Chan, Ka Wing; Eisenstein, Odile; Raynaud, Christophe; Tamm, Matthias; Copéret, Christophe","Molecular and Silica-Supported Molybdenum Alkyne Metathesis Catalysts: Influence of Electronics and Dynamics on Activity Revealed by Kinetics, Solid-State NMR, and Chemical Shift Analysis.","Journal of the American Chemical Society","2017","139","48","17597","17607","10.1021/jacs.7b09934","","","1.54184","CuKα","","0.0328","0.0298","","","0.0792","0.0827","","","","","","1.036","","","","has coordinates,has disorder","241914","2020-10-21","18:00:00",""
"4131891","12.783","0.012","9.491","0.009","17.67","0.017","90","","90","","90","","2144","4","333","2","333","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H12 Br6 Cd N2 -","- C8 H12 Br6 Cd N2 -","- C32 H48 Br24 Cd4 N8 -","4","0.5","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response.","Journal of the American Chemical Society","2018","140","11","3975","3980","10.1021/jacs.7b12524","","","0.71073","MoKα","","0.3372","0.2697","","","0.5764","0.6013","","","","","","1.944","","","","has coordinates","241982","2020-10-21","18:00:00",""
"4131912","27.323","0.003","31.177","0.004","11.9178","0.0015","90","","90","","90","","10152","2","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C43 H33 F18 N10 O4 P3 S2 -","- C39 H33 F18 N10 O2 P3 -","- C312 H264 F144 N80 O16 P24 -","8","1","","Wu, Ren-Tsung; Chi, Xiaodong; Hirao, Takehiro; Lynch, Vincent M.; Sessler, Jonathan L.","Supramolecular Properties of a Monocarboxylic Acid-Functionalized ""Texas-Sized"" Molecular Box.","Journal of the American Chemical Society","2018","140","22","6823","6831","10.1021/jacs.7b12957","","","0.71073","MoKα","","0.1593","0.091","","","0.2027","0.2361","","","","","","1.045","","","","has coordinates,has disorder","242004","2020-10-21","18:00:00",""
"4132067","27.887","0.003","11.5982","0.0013","11.5654","0.001","90","","90","","90","","3740.7","0.7","100","2","99.99","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C41.01 H60.01 Fe P Si -","- C41 H60 Fe P Si -","- C164 H240 Fe4 P4 Si4 -","4","0.5","","Smith, Patrick W.; Tilley, T. Don","Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing.","Journal of the American Chemical Society","2018","140","11","3880","3883","10.1021/jacs.8b01185","","","0.71073","MoKα","","0.1106","0.0657","","","0.0973","0.1075","","","","","","1.13","","","","has coordinates,has disorder","242109","2020-10-21","18:00:00",""
"4132306","10.1113","0.0014","14.6016","0.0018","11.3834","0.001","90","","90","","90","","1680.7","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H16 Br Mn N4 O3 -","- C14 H16 Br Mn N4 O3 -","- C56 H64 Br4 Mn4 N16 O12 -","4","0.5","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.71073","MoKα","","0.0526","0.0353","","","0.0642","0.0706","","","","","","1.056","","","","has coordinates","242304","2020-10-21","18:00:00",""
"4132374","11.9337","0.0007","17.0324","0.001","11.6249","0.0007","90","","90","","90","","2362.9","0.2","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H36 B Cl Si4 -","- C16 H36 B Cl Si4 -","- C64 H144 B4 Cl4 Si16 -","4","0.5","","Lee, Vladimir Ya; Sugasawa, Haruka; Gapurenko, Olga A.; Minyaev, Ruslan M.; Minkin, Vladimir I.; Gornitzka, Heinz; Sekiguchi, Akira","From Borapyramidane to Borole Dianion.","Journal of the American Chemical Society","2018","140","19","6053","6056","10.1021/jacs.8b03473","","","0.71073","MoKα","","0.025","0.0244","","","0.0693","0.0699","","","","","","1.01","","","","has coordinates","242357","2020-10-21","18:00:00",""
"4132455","14.5802","0.0008","23.5092","0.0015","8.5138","0.0006","90","","90","","90","","2918.3","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","jyw-241","hartwig134","","- C29 H50 O2 P2 Pd -","- C29 H50 O2 P2 Pd -","- C116 H200 O8 P8 Pd4 -","4","0.5","","Wang, Justin Y.; Strom, Alexandra E.; Hartwig, John F.","Mechanistic Studies of Palladium-Catalyzed Aminocarbonylation of Aryl Chlorides with Carbon Monoxide and Ammonia.","Journal of the American Chemical Society","2018","140","25","7979","7993","10.1021/jacs.8b04073","","","0.71073","MoKα","","0.0352","0.0295","","","0.0679","0.0703","","","","","","1.104","","","","has coordinates","242437","2020-10-21","18:00:00",""
"4132645","10.9353","0.0011","13.4608","0.0014","14.6526","0.0015","90","","90","","90","","2156.8","0.4","190","2","190","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H37 N Si Ti -","- C21 H37 N Si Ti -","- C84 H148 N4 Si4 Ti4 -","4","0.5","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0598","0.0518","","","0.1397","0.1494","","","","","","1.023","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132676","23.143","0.008","15.393","0.005","12.944","0.005","90","","90","","90","","4611","3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","MeMeCH2x2DEF","","","- C50 H62 N2 O10 -","- C49.996 H64 N2 O9.996 -","- C199.984 H256 N8 O39.984 -","4","0.5","","Brekalo, Ivana; Kane, Christopher M.; Ley, Amanda N.; Ramirez, Joseph R.; Friščić, Tomislav; Holman, K. Travis","Use of a ""Shoe-Last"" Solid-State Template in the Mechanochemical Synthesis of High-Porosity RHO-Zinc Imidazolate.","Journal of the American Chemical Society","2018","140","32","10104","10108","10.1021/jacs.8b05471","","x-ray","0.71073","MoKα","","0.0865","0.0674","","","0.214","0.237","","","","","","0.925","","","","has coordinates","242603","2020-10-21","18:00:00",""
"4132850","16.094","0.003","35.62","0.007","15.672","0.003","90","","90","","90","","8984","3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C84 H63 I3 N4 S6 -","- C84 H63 I3 N4 S6 -","- C336 H252 I12 N16 S24 -","4","0.5","","Sarma, Tridib; Kim, Gakhyun; Sen, Sajal; Cha, Won-Young; Duan, Zhiming; Moore, Matthew D.; Lynch, Vincent M.; Zhang, Zhan; Kim, Dongho; Sessler, Jonathan L.","Proton-Coupled Redox Switching in an Annulated π-Extended Core-Modified Octaphyrin.","Journal of the American Chemical Society","2018","140","38","12111","12119","10.1021/jacs.8b06938","","","0.6525","synchrotron","","0.0712","0.0653","","","0.1867","0.1949","","","","","","1.024","","","","has coordinates","242742","2020-10-21","18:00:00",""
"4132986","8.1792","0.0011","19.504","0.003","18.065","0.003","90","","90","","90","","2881.9","0.8","174","2","174","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C31 H29 B2 Co N9 -","- C31 H29 B2 Co N9 -","- C124 H116 B8 Co4 N36 -","4","0.5","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","1.54178","CuKα","","0.0414","0.037","","","0.0993","0.1035","","","","","","1.164","","","","has coordinates","242838","2020-10-21","18:00:00",""
"4133014","14.332","0.0005","20.4637","0.0007","18.2836","0.0005","90","","90","","90","","5362.3","0.3","140","0.1","140","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C56 H65 Co N7 O6 U -","- C56 H65 Co N7 O6 U -","- C224 H260 Co4 N28 O24 U4 -","4","0.5","","Faizova, Radmila; Scopelliti, Rosario; Chauvin, Anne-Sophie; Mazzanti, Marinella","Synthesis and Characterization of a Water Stable Uranyl(V) Complex.","Journal of the American Chemical Society","2018","140","42","13554","13557","10.1021/jacs.8b07885","","x-ray","1.54184","CuKα","","0.091","0.0856","","","0.219","0.2229","","","","","","1.055","","","","has coordinates,has disorder","242867","2020-10-21","18:00:00",""
"4133463","8.226","0.002","8.403","0.002","10.367","0.003","90","","90","","90","","716.6","0.3","100","1","99.99","","","","","","","","","4","P n m a","-P 2ac 2n","62","","methylammonium nitroformate","","- C2 H6 N4 O6 -","- C2 H6 N4 O6 -","- C8 H24 N16 O24 -","4","0.5","","Baxter, Amanda F.; Martin, Igor; Christe, Karl O.; Haiges, Ralf","Formamidinium Nitroformate: An Insensitive RDX Alternative.","Journal of the American Chemical Society","2018","140","44","15089","15098","10.1021/jacs.8b10200","","","0.71073","MoKα","","0.0429","0.035","","","0.0915","0.0975","","","","","","1.0816","","","","has coordinates,has disorder","243237","2020-10-21","18:00:00",""
"4133626","16.8653","0.0009","24.8239","0.0009","9.3582","0.0004","90","","90","","90","","3917.9","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C42 H54 Fe N4 O2 Si2 -","- C42 H54 Fe N4 O2 Si2 -","- C168 H216 Fe4 N16 O8 Si8 -","4","0.5","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.0766","0.0455","","","0.0955","0.1126","","","","","","1.018","","","","has coordinates","243369","2020-10-21","18:00:00",""
"4133653","12.1625","0.0003","21.0519","0.0007","12.4534","0.0004","90","","90","","90","","3188.62","0.17","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H46 N2 Na Re -","- C34 H46 N2 Na Re -","- C136 H184 N8 Na4 Re4 -","4","0.5","","Lohrey, Trevor D.; Maron, Laurent; Bergman, Robert G.; Arnold, John","Heterotetrametallic Re-Zn-Zn-Re Complex Generated by an Anionic Rhenium(I) β-Diketiminate.","Journal of the American Chemical Society","2019","141","2","800","804","10.1021/jacs.8b12494","","x-ray","0.71073","MoKα","","0.0437","0.0371","","","0.0863","0.0895","","","","","","1.032","","","","has coordinates","243390","2020-10-21","18:00:00",""
"4133829","24.257","0.005","15.144","0.003","10.676","0.002","90","","90","","90","","3921.8","1.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C80 H Bi4 O32 S24 -","- C80 H16 Bi4 O32 S24 -","- C80 H16 Bi4 O32 S24 -","1","0.125","","García-Sánchez, Alba; Gomez-Mendoza, Miguel; Barawi, Mariam; Villar-Garcia, Ignacio Jose; Liras, Marta; Gándara, Felipe; de la Peña O'Shea, Víctor A","Fundamental Insights in Photoelectrocatalytic Hydrogen Production with a Hole-transport Bismuth Metal-organic Framework.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10261","","","1.54184","CuKα","","0.0802","0.0761","","","0.2404","0.2441","","","","","","1.181","","","","has coordinates","245527","2020-10-21","18:00:00",""
"4133980","7.0229","0.0001","8.8503","0.0002","12.7614","0.0002","90","","90","","90","","793.18","0.02","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Bis(cyclopentadienyl)ruthenium(II)","","- C10 H10 Ru -","- C10 H10 Ru -","- C40 H40 Ru4 -","4","0.5","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","1.54184","CuKα","","0.019","0.0189","","","0.0531","0.0533","","","","","","1.102","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133990","28.3945","0.0017","36.36","0.002","16.2541","0.001","90","","90","","90","","16781.1","1.7","174","2","174","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C136 H169 B4 F16 N15 O6 Pt6 S6 -","- C138 H169 B4 F16 N15 O6 Pt6 S6 -","- C552 H676 B16 F64 N60 O24 Pt24 S24 -","4","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","","0.0749","0.0494","","","0.1251","0.1443","","","","","","1.069","","","","has coordinates,has disorder","247126","2020-10-21","18:00:00",""
"4134071","13.7297","0.0009","8.6471","0.0005","11.9568","0.0015","90","","90","","90","","1419.5","0.2","223","2","223","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H10 Cl4 Fe2 -","- C10 H10 Cl4 Fe2 -","- C40 H40 Cl16 Fe8 -","4","0.5","","Zhang, Han-Yue; Hu, Chun-Li; Hu, Zhao-Bo; Mao, Jiang-Gao; Song, You; Xiong, Ren-Gen","Narrow Band Gap Observed in a Molecular Ferroelastic: Ferrocenium Tetrachloroferrate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13446","","","0.71073","MoKα","","0.0834","0.0631","","","0.1792","0.1936","","","","","","0.976","","","","has coordinates","247305","2020-10-21","18:00:00",""
"4134072","13.902","0.002","8.7619","0.0014","11.972","0.0014","90","","90","","90","","1458.3","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H10 Cl4 Fe Ga -","- C10 H10 Cl4 Fe Ga -","- C40 H40 Cl16 Fe4 Ga4 -","4","0.5","","Zhang, Han-Yue; Hu, Chun-Li; Hu, Zhao-Bo; Mao, Jiang-Gao; Song, You; Xiong, Ren-Gen","Narrow Band Gap Observed in a Molecular Ferroelastic: Ferrocenium Tetrachloroferrate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13446","","","0.71073","MoKα","","0.1431","0.0578","","","0.1213","0.1474","","","","","","1.012","","","","has coordinates","247306","2020-10-21","18:00:00",""
"4134073","13.8181","0.0013","8.7371","0.0009","11.9538","0.0018","90","","90","","90","","1443.2","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H10 Cl4 Fe2 -","- C10 H10 Cl4 Fe2 -","- C40 H40 Cl16 Fe8 -","4","0.5","","Zhang, Han-Yue; Hu, Chun-Li; Hu, Zhao-Bo; Mao, Jiang-Gao; Song, You; Xiong, Ren-Gen","Narrow Band Gap Observed in a Molecular Ferroelastic: Ferrocenium Tetrachloroferrate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13446","","","0.71073","MoKα","","0.1119","0.0882","","","0.2354","0.2507","","","","","","1.083","","","","has coordinates","247307","2020-10-21","18:00:00",""
"4134243","18.12102","0.00008","18.06784","0.00007","12.92384","0.00006","90","","90","","90","","4231.36","0.03","173","0.1","173","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C48 H56 -","- C48 H56 -","- C192 H224 -","4","0.5","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","","1.54184","CuKα","","0.0712","0.0534","","","0.1485","0.1608","","","","","","1.041","","","","has coordinates","248449","2020-10-21","18:00:00",""
"4134276","8.0887","0.001","10.4653","0.0014","14.9244","0.0019","90","","90","","90","","1263.4","0.3","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C5 H9 F I3 N Pb -","- C5 H9 F I3 N Pb -","- C20 H36 F4 I12 N4 Pb4 -","4","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.2227","0.2091","","","0.5026","0.5216","","","","","","2.017","","","","has coordinates","248543","2020-10-21","18:00:00",""
"4134278","8.1202","0.0005","10.9804","0.0005","14.3598","0.0007","90","","90","","90","","1280.36","0.12","300","2","300","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C5 H11 F I3 N Pb -","- C5 H11 F I3 N Pb -","- C20 H44 F4 I12 N4 Pb4 -","4","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0588","0.0438","","","0.1003","0.1066","","","","","","0.997","","","","has coordinates","248545","2020-10-21","18:00:00",""
"4134681","7.727","0.0001","14.3219","0.0003","12.3521","0.0003","90","","90","","90","","1366.95","0.05","100","2","99.97","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 Cu F6 N2 O2 Ti -","- C10 H12 Cu F6 N2 O2 Ti -","- C40 H48 Cu4 F24 N8 O8 Ti4 -","4","0.5","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0254","0.0225","","","0.0607","0.0622","","","","","","1.052","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134710","15.4482","0.0005","11.305","0.0004","10.4848","0.0004","90","","90","","90","","1831.09","0.11","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cp2TitBuNCSNtBu","","","- C19 H28 N2 S Ti -","- C19 H28 N2 S Ti -","- C76 H112 N8 S4 Ti4 -","4","0.5","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0357","0.0283","","","0.0696","0.0755","","","","","","1.084","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134861","12.0826","0.0002","11.9195","0.0002","16.5709","0.0003","90","","90","","90","","2386.52","0.07","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","Mn156Si36Nx","","","- Mn38.869 N0.841 Si9.131 -","- Mn38.869 N0.84 Si9.131 -","- Mn155.476 N3.36 Si36.524 -","4","0.5","","Peterson, Gordon G. C.; Berns, Veronica M.; Fredrickson, Daniel C.","Mn39Si9Nx: Epitaxial Stabilization as a Pathway to the Formation of Intermetallic Nitrides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01716","","x-ray","0.71073","MoKα","","0.0839","0.0311","","","0.0569","0.0798","","","","0.96","0.96","1","","","","has coordinates","251371","2020-10-21","18:00:00",""
"4134933","19.8411","0.0011","15.7283","0.0009","5.9355","0.0003","90","","90","","90","","1852.27","0.17","120","2","120","2","","","","","","","synthesized by Dr. Guillaume Bastien","4","P n m a","-P 2ac 2n","62","","","","- C20 H25 I N2 -","- C20.5 H25 I N2 -","- C82 H100 I4 N8 -","4","0.5","","Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří","Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01753","","","0.71073","MoKα","","0.0324","0.0273","","","0.0567","0.0588","","","","","","1.113","","","","has coordinates,has disorder","251920","2020-10-21","18:00:00",""
"4135071","7.631","0.0004","17.0502","0.0009","19.5937","0.0008","90","","90","","90","","2549.3","0.2","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C29 H31 B2 N -","- C29 H31 B2 N -","- C116 H124 B8 N4 -","4","0.5","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.0698","0.0593","","","0.1279","0.1328","","","","","","1.179","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135115","9.666","0.002","13.466","0.004","18.476","0.005","90","","90","","90","","2404.9","1.1","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H41 Fe O P3 -","- C20 H41 Fe O P3 -","- C80 H164 Fe4 O4 P12 -","4","0.5","","Messinis, Antonis M.; Finger, Lars H.; Hu, Lianrui; Ackermann, Lutz","Allenes for Versatile Iron-Catalyzed C-H Activation by Weak O-Coordination: Mechanistic Insights by Kinetics, Intermediate Isolation, and Computation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04837","","","0.71073","MoKα","","0.029","0.0242","","","0.0603","0.0625","","","","","","1.087","","","","has coordinates,has disorder","254355","2020-10-21","18:00:00",""
"4135292","14.3162","0.0005","7.2812","0.0003","19.0278","0.0007","90","","90","","90","","1983.44","0.13","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H26 B10 O -","- C15 H26 B10 O -","- C60 H104 B40 O4 -","4","0.5","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.0656","0.0564","","","0.1589","0.1723","","","","","","1.06","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135382","15.0983","0.0004","19.1026","0.0005","10.0922","0.0002","90","","90","","90","","2910.76","0.12","120","","120.01","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C27 H39 Al N3 O2 P2 Rh -","- C27 H39 Al N3 O2 P2 Rh -","- C108 H156 Al4 N12 O8 P8 Rh4 -","4","0.5","","Lai, Qingheng; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Unexpected B/Al Transelementation within a Rh Pincer Complex.","Journal of the American Chemical Society","2020","142","50","20920","20923","10.1021/jacs.0c09344","","x-ray","0.71073","MoKα","","0.0225","0.0194","","","0.0452","0.0476","","","","","","1.077","","","","has coordinates","260429","2021-01-04","03:14:30",""
"4135580","16.072","0.0005","28.0305","0.001","8.296","0.002","90","","90","","90","","3737.4","0.9","135","2","135","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H24 I2 O6 Zn -","- C12 H24 I2 O6 Zn -","- C96 H192 I16 O48 Zn8 -","8","1","","Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus","18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects.","Journal of the American Chemical Society","2021","143","2","798","804","10.1021/jacs.0c09454","","","0.71073","MoKα","","0.0709","0.0484","","","0.1167","0.1241","","","","","","1.03","","","","has coordinates,has disorder","261454","2021-02-04","00:40:42",""
"4300008","12.4004","0.0007","15.4068","0.0009","15.4512","0.0009","90","","90","","90","","2952","0.3","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","1,3-bis(diphenylphosphino)propane maleneonitrilediselenolate nickel(ii)","1,3-bis(diphenylphosphino)propane cis-1,2-dicyano,1,2-diselenato-ethene-Se-Se-nickel(ii)","","- C31 H26 N2 Ni P2 Se2 -","- C31 H26 N2 Ni P2 Se2 -","- C124 H104 N8 Ni4 P8 Se8 -","4","0.5","","Craig C. McLauchlan; James A. Ibers","Facile Syntheses and Structures of New Metal-Maleonitrilediselenolates [K([2.2.2]-cryptand)]3[Ag(Se2C2(CN)2)(Se6)], [K([2.2.2]-cryptand)]2[Ni(Se2C2(CN)2)2], and Ni(dppp)(Se2C2(CN)2)","Inorganic Chemistry","2000","39","","1046","1048","10.1021/ic9901719","","","0.71073","MoKα","","0.039","0.0263","","","0.0593","0.0614","","","","","","1.099","","","","has coordinates","171491","2020-10-21","18:00:00",""
"4300146","4.965","0.001","10.211","0.001","17.188","0.003","90","","90","","90","","871.4","0.2","153.2","","153.2","","","","","","","","CoO/Fe2O3/V2O5-flux","4","P n m a","-P 2ac 2n","62","","","","- Co4 Fe3.3 O24 V6 -","- Co8 Fe4 O24 V6 -","- Co16 Fe8 O48 V12 -","2","0.25","","Xiandong Wang; Douglas A. Vander Griend; Charlotte L. Stern; Kenneth R. Poeppelmeier","Site-Specific Vanadates Co4Fe3.33(VO4)6 and Mn3Fe4(VO4)6","Inorganic Chemistry","2000","39","","136","140","10.1021/ic9909274","","","0.7107","MoKalpha","","","0.0338","","","0.0417","","","","","3.034","3.034","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300151","6.9057","0.0002","12.1727","0.0001","8.6512","0.0002","90","","90","","90","","727.23","0.03","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F6 N3 P3 -","- F6 N3 P3 -","- F24 N12 P12 -","4","0.5","","Rajendra Prasad Singh; Ashwani Vij; Robert L. Kirchmeier; Jean'ne M. Shreeve","A Novel Synthesis of Hexakis(trifluoromethyl)cyclotriphosphazene. Single-Crystal X-ray Structures of N3P3(CF3)6 and N3P3F6","Inorganic Chemistry","2000","39","","375","377","10.1021/ic9909781","","","0.71073","MoKα","","0.0462","0.03","","","0.0718","0.077","","","","","","1.098","","","","has coordinates","134573","2020-10-21","18:00:00",""
"4300457","19.985","0.009","16.608","0.007","9.847","0.005","90","","90","","90","","3268.4","2.5","212.1","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C31 H52 Cl Cu N6 -","- C31 H52 Cl Cu N6 -","- C124 H208 Cl4 Cu4 N24 -","4","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051290t","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300458","33.238","0.012","15.422","0.006","9.683","0.004","90","","90","","90","","4963.6","3.2","212.1","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H60 Cl6 Cu F6 N7 P -","- C36 H60 Cl6 Cu F6 N7 P -","- C144 H240 Cl24 Cu4 F24 N28 P4 -","4","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051290t","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300493","12.622","0.004","20.482","0.006","10.506","0.003","90","","90","","90","","2716","1.4","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H39 N O3 P4 S3 W -","- C15 H39 N O3 P4 S3 W -","- C60 H156 N4 O12 P16 S12 W4 -","4","0.5","","Steven J. Smith; C. Matthew Whaley; Thomas B. Rauchfuss; Wilson, Scott R.","","Inorganic Chemistry","2006","","","","","10.1021/ic051443c","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300549","10.054","0.002","13.332","0.003","4.454","0.001","90","","90","","90","","597","0.2","125","2","125","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C2 N2 Se3 -","- C2 N2 Se3 -","- C8 N8 Se12 -","4","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0515103","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300589","6.2037","0.0001","19.295","0.0003","6.32338","0.0001","90","","90","","90","","756.91","0.02","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 F2 S3 Sn -","- Ba8 F8 S12 Sn4 -","- Ba8 F8 S12 Sn4 -","","","","Kabbour, Houria; Cario, Laurent; Danot, Michel; Meerschaut, Alain","Design of a new family of inorganic compounds Ae2F2SnX3 (Ae= Sr, Ba; X = S, Se) using rock salt and fluorite 2D building blocks.","Inorganic Chemistry","2006","","","","","10.1021/ic051592v","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300590","6.38442","0.00004","19.75793","0.00014","6.44925","0.00004","90","","90","","90","","813.527","0.009","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 F2 Se3 Sn -","- Ba8 F8 Se12 Sn4 -","- Ba8 F8 Se12 Sn4 -","","","","Kabbour, Houria; Cario, Laurent; Danot, Michel; Meerschaut, Alain","Design of a new family of inorganic compounds Ae2F2SnX3 (Ae= Sr, Ba; X = S, Se","Inorganic Chemistry","2006","","","","","10.1021/ic051592v","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300591","6.10779","0.0001","19.45339","0.00015","6.10511","0.00011","90","","90","","90","","725.392","0.019","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F2 Se3 Sn Sr2 -","- F8 Se12 Sn4 Sr8 -","- F8 Se12 Sn4 Sr8 -","","","","Kabbour, Houria; Cario, Laurent; Danot, Michel; Meerschaut, Alain","Design of a new family of inorganic compounds Ae2F2SnX3 (Ae= Sr, Ba; X = S, Se","Inorganic Chemistry","2006","","","","","10.1021/ic051592v","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300658","5.0658","0.0005","10.333","0.001","17.421","0.002","90","","90","","90","","911.9","0.1","148.2","","148.2","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Mg2.56 O8 V1.12 W0.88 -","- Mg1.94667 O7.33333 V0.944667 W0.722 -","- Mg11.68 O44 V5.668 W4.332 -","6","0.75","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051740h","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300908","18.408","0.004","14.517","0.003","8.979","0.0018","90","","90","","90","","2399.4","0.9","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H38 Ga I N3 Si2 -","- C16 H38 Ga I N3 Si2 -","- C64 H152 Ga4 I4 N12 Si8 -","4","0.5","","Karen L. Antcliff; Robert J. Baker; Cameron Jones; Damien M. Murphy; Richard P. Rose","Reactions of a Gallium(II)-Diazabutadiene Dimer, [{{[(H)C(But)N]2}GaI}2], with [ME(SiMe3)2] (M = Li or Na; E = N, P, or As): Structural, EPR, and ENDOR Characterization of Paramagnetic Gallium(III) Pnictide Complexes","Inorganic Chemistry","2005","44","","2098","2105","10.1021/ic0486825","","","0.71073","MoKα","","0.0343","0.0283","","","0.0584","0.0608","","","","","","1.034","","","","has coordinates","179047","2020-10-21","18:00:00",""
"4301068","18.3204","0.0016","14.0127","0.0012","18.1038","0.0016","90","","90","","90","","4647.6","0.7","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","(K-18C6)2Si9*py","","- C29 H53 K2 N O12 Si9 -","- C29 H53 K2 N O12 Si9 -","- C116 H212 K8 N4 O48 Si36 -","4","0.5","","Goicoechea, Jose M.; Sevov, Slavi C.","Ligand-Free Deltahedral Clusters of Silicon in Solution: Synthesis, Structure, and Electrochemistry of Si~9~^2-^","Inorganic Chemistry","2005","44","8","2654","2658","10.1021/ic0500964","","","0.71073","MoKα","","0.1127","0.0618","","","0.1493","0.1623","","","","","","0.96","","","","has coordinates","210213","2020-10-21","18:00:00",""
"4301110","14.796","0.002","20.099","0.003","12.471","0.002","90","","90","","90","","3708.7","1","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","3","","","- C35 H59 N3 Si2 Sn -","- C35 H59 N3 Si2 Sn -","- C140 H236 N12 Si8 Sn4 -","4","0.5","","Herbert W. Roesky; Anukul Jana; Carola Schulzke; Alexander Döring; Tobias Beck; Aritra Pal; Regine Herbst-Irmer","Facile Access of Stable Divalent Tin Compounds with Terminal Methyl, Amide, Fluoride, and Iodide Substituents","Inorganic Chemistry","2009","48","","193","197","10.1021/ic8015639","","","1.54178","CuKα","","0.0559","0.0489","","","0.108","0.1119","","","","","","1.093","","","","has coordinates,has disorder","179049","2020-10-21","18:00:00",""
"4301112","9.1521","0.0007","3.0483","0.0002","10.8929","0.0008","90","","90","","90","","303.89","0.04","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi0.26 Nd0.36 O4 Rh2 -","- Bi0.26 Nd0.36 O4 Rh2 -","- Bi1.04 Nd1.44 O16 Rh8 -","4","0.5","","Hiroshi Mizoguchi; L. N. Zakharov; A. P. Ramirez; W. J. Marshall; A. W. Sleight; M. A. Subramanian","New A2/3-xRh2O4 Compounds with the CaFe2O4 Structure Where A Is a Rare Earth or Bi","Inorganic Chemistry","2009","48","","204","208","10.1021/ic801603t","","","0.71073","MoKα","","0.0173","0.0172","","","0.0412","0.0413","","","","","","1.159","","","","has coordinates","179049","2020-10-21","18:00:00",""
"4301113","9.1109","0.0008","3.0402","0.0003","10.8497","0.0009","90","","90","","90","","300.53","0.05","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi0.26 Eu0.38 O4 Rh2 -","- Bi0.26 Eu0.38 O4 Rh2 -","- Bi1.04 Eu1.52 O16 Rh8 -","4","0.5","","Hiroshi Mizoguchi; L. N. Zakharov; A. P. Ramirez; W. J. Marshall; A. W. Sleight; M. A. Subramanian","New A2/3-xRh2O4 Compounds with the CaFe2O4 Structure Where A Is a Rare Earth or Bi","Inorganic Chemistry","2009","48","","204","208","10.1021/ic801603t","","","0.71073","MoKα","","0.0229","0.0202","","","0.0432","0.0454","","","","","","1.147","","","","has coordinates","179049","2020-10-21","18:00:00",""
"4301114","9.0337","0.001","3.0164","0.0004","10.7557","0.0012","90","","90","","90","","293.08","0.06","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi0.19 O4 Rh2 Yb0.48 -","- Bi0.18 O4 Rh2 Yb0.48 -","- Bi0.72 O16 Rh8 Yb1.92 -","4","0.5","","Hiroshi Mizoguchi; L. N. Zakharov; A. P. Ramirez; W. J. Marshall; A. W. Sleight; M. A. Subramanian","New A2/3-xRh2O4 Compounds with the CaFe2O4 Structure Where A Is a Rare Earth or Bi","Inorganic Chemistry","2009","48","","204","208","10.1021/ic801603t","","","0.71073","MoKα","","0.0206","0.0199","","","0.0471","0.0476","","","","","","1.106","","","","has coordinates","179049","2020-10-21","18:00:00",""
"4301263","25.0161","0.0008","31.9509","0.0012","13.2163","0.0006","90","","90","","90","","10563.6","0.7","113","2","113","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C28 H42 Br2.9 Cl1.1 Er4 N8 O26.5 -","- C28 H39 Br2.9 Cl1.1 Er4 N8 O26.5 -","- C224 H312 Br23.2 Cl8.8 Er32 N64 O212 -","8","1","","Lijun Han; Suojiang Zhang; Yibo Wang; Xingjuan Yan; Xingmei Lu","A Strategy for Synthesis of Ionic Metal-Organic Frameworks","Inorganic Chemistry","2009","48","","786","788","10.1021/ic800632r","","","0.7107","MoKα","","0.0635","0.0551","","","0.1373","0.1417","","","","","","1.18","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4301277","14.5749","0.0008","17.6671","0.0009","28.9135","0.0015","90","","90","","90","","7445.1","0.7","90","2","90","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H26.5 O16 P3 V1.5 -","- C24 H17 O11 P3 V1.5 -","- C192 H136 O88 P24 V12 -","8","1","","Wayne Ouellette; Guangbin Wang; Hongxue Liu; Gordon T. Yee; Charles J. O'Connor; Jon Zubieta","The Hydrothermal and Structural Chemistry of Oxovanadium-Arylphosphonate Networks and Frameworks","Inorganic Chemistry","2009","48","","953","963","10.1021/ic801450m","","x-ray","0.71073","MoKα","","0.0954","0.0766","","","0.1659","0.1826","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4301441","14.625","0.003","14.645","0.002","7.6099","0.0013","90","","90","","90","","1629.9","0.5","291","2","291","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H12 Cu2 N8 -","- C16 H12 Cu2 N8 -","- C64 H48 Cu8 N32 -","4","0.5","","Man-Cheng Hu; Yan Wang; Quan-Guo Zhai; Shu-Ni Li; Yu-Cheng Jiang; Yong Zhang","Synthesis, Crystal Structures, and Photoluminescent Properties of the Cu(I)/X/α,ω-Bis(benzotriazole)alkane Hybrid Family (X = Cl, Br, I, and CN)","Inorganic Chemistry","2009","48","","1449","1468","10.1021/ic801574k","","","0.7107","MoKα","","0.0658","0.0648","","","0.1737","0.1744","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4301448","13.315","0.003","6.6392","0.0017","23.221","0.006","90","","90","","90","","2052.8","0.9","100","0.1","100","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","eisjs37","","","- C25 H20 Cl0.89 I0.11 N3 Pt -","- C25 H20 Cl0.8948 I0.1052 N3 Pt -","- C100 H80 Cl3.5792 I0.4208 N12 Pt4 -","4","0.5","","Jacob Schneider; Pingwu Du; Xiaoyong Wang; William W. Brennessel; Richard Eisenberg","Synthesis, Electrochemistry, Photophysics, and Solvatochromism in New Cyclometalated 6-Phenyl-4-(p-R-phenyl)-2,2'-bipyridyl (R = Me, COOMe, P(O)(OEt)2) (C^N^N) Platinum(II) Thiophenolate Chromophores","Inorganic Chemistry","2009","48","","1498","1506","10.1021/ic801767q","","","0.71073","MoKα","","0.0295","0.0222","","","0.045","0.047","","","","","","1.083","","","","has coordinates,has disorder","179052","2020-10-21","18:00:00",""
"4301453","6.5646","0.0013","7.5707","0.0016","13.303","0.003","90","","90","","90","","661.1","0.2","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Ammonium 4,5-dicyano-1,2,3-triazole","Ammonium 4,5-dicyano-1,2,3-triazole","","- C4 H4 N6 -","- C4 H4 N6 -","- C16 H16 N24 -","4","0.5","","Margaret-Jane Crawford; Konstantin Karaghiosoff; Thomas M. Klapötke; Franz A. Martin","Synthesis and Characterization of 4,5-Dicyano-2H-1,2,3-triazole and Its Sodium, Ammonium, and Guanidinium Salts","Inorganic Chemistry","2009","48","","1731","1743","10.1021/ic801793p","","","0.71073","MoKα","","0.0696","0.0527","","","0.1295","0.1422","","","","","","1.133","","","","has coordinates","179052","2020-10-21","18:00:00",""
"4301606","8.0135","0.0003","17.658","0.0007","13.8841","0.0006","90","","90","","90","","1964.63","0.14","203","2","203","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","catena-[{μ4-1,2-Bis(1,2,4-triazol-4-yl)ethane-κN1:κN2:κN1':κN2'}- {μ2-bis(1,2,4-triazol-4-yl)ethane-κN1:κN2}zinc(II)] diperchlorate","","- C12 H16 Cl2 N12 O8 Zn -","- C12 H16 Cl2 N12 O8 Zn -","- C48 H64 Cl8 N48 O32 Zn4 -","4","0.5","","Hesham A. Habib; Anke Hoffmann; Henning A. Höppe; Gunther Steinfeld; Christoph Janiak","Crystal Structure Solid-State Cross Polarization Magic Angle Spinning 13C NMR Correlation in Luminescent d10 Metal-Organic Frameworks Constructed with the 1,2-Bis(1,2,4-triazol-4-yl)ethane Ligand","Inorganic Chemistry","2009","48","","2166","2180","10.1021/ic802069k","","","0.71073","MoKα","","0.0639","0.0483","","","0.1277","0.1369","","","","","","1.108","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301607","8.2335","0.0001","17.8751","0.0004","14.2061","0.0003","90","","90","","90","","2090.78","0.07","203","2","203","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","catena-[(μ4-1,2-Bis(1,2,4-triazol-4-yl)ethane-κN1:κN2:κN1':κN2')- (μ2-1,2-bis(1,2,4-triazol-4-yl)ethane-κN1:κN2)cadmium(II)] diperchlorate","","- C12 H16 Cd Cl2 N12 O8 -","- C12 H16 Cd Cl2 N12 O8 -","- C48 H64 Cd4 Cl8 N48 O32 -","4","0.5","","Hesham A. Habib; Anke Hoffmann; Henning A. Höppe; Gunther Steinfeld; Christoph Janiak","Crystal Structure Solid-State Cross Polarization Magic Angle Spinning 13C NMR Correlation in Luminescent d10 Metal-Organic Frameworks Constructed with the 1,2-Bis(1,2,4-triazol-4-yl)ethane Ligand","Inorganic Chemistry","2009","48","","2166","2180","10.1021/ic802069k","","","0.71073","MoKα","","0.0734","0.0358","","","0.0652","0.0757","","","","","","1.004","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301628","5.7969","0.0001","5.7664","0.0001","17.8196","0.0006","90","","90","","90","","595.66","0.02","295","2","295.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- As Ce Se -","- As Ce Se -","- As8 Ce8 Se8 -","8","1","","Andreas Schlechte; Rainer Niewa; Yurii Prots; W. Schnelle; Marcus Schmidt; Rüdiger Kniep","CeAsSe-Synthesis, Crystal Structure, and Physical Properties","Inorganic Chemistry","2009","48","","2277","2284","10.1021/ic802246g","","","0.71073","MoKα","","0.035","0.029","","","0.057","0.058","","","","","","0.924","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301698","24.5058","0.0007","14.734","0.0005","8.4995","0.0002","90","","90","","90","","3068.9","0.15","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H48 Cl Ir Si Zr -","- C30 H3 Cl Ir Si Zr -","- C120 H12 Cl4 Ir4 Si4 Zr4 -","4","0.5","","Masataka Oishi; Hiroharu Suzuki","Zirconocene-Iridium Hydrido Complexes: Arene Carbon-Hydrogen Bond Activation and Formation of a Planar Square Zr2Ir2 Complex","Inorganic Chemistry","2009","48","","2349","2351","10.1021/ic8020113","","","0.71069","MoKα","","0.0212","0.0203","","","0.0604","0.0609","","","","","","1.091","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301708","6.8436","0.0014","7.0732","0.0014","16.6","0.003","90","","90","","90","","803.5","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H5 Cu N3 O2 -","- C7 H5 Cu N3 O2 -","- C28 H20 Cu4 N12 O8 -","4","0.5","","Jiong-Peng Zhao; Bo-Wen Hu; E. C. Sañudo; Qian Yang; Yong-Fei Zeng; Xian-He Bu","Tuning the Structure and Magnetism of Azido-Mediated CuII Systems by Coligand Modifications","Inorganic Chemistry","2009","48","","2482","2489","10.1021/ic802066a","","","0.71073","MoKα","","0.1214","0.1049","","","0.2586","0.2734","","","","","","1.276","","","","has coordinates","179055","2020-10-21","18:00:00",""
"4301778","16.56","0.004","19.896","0.005","15.819","0.003","90","","90","","90","","5212","2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C56 H51 F6 O2 P5 Ru -","- C52 H41 F6 O P5 Ru -","- C208 H164 F24 O4 P20 Ru4 -","4","0.5","","Nathaniel K. Szymczak; Dale A. Braden; Justin L. Crossland; Yevgeniya Turov; Lev N. Zakharov; David R. Tyler","Aqueous Coordination Chemistry of H2: Why is Coordinated H2 Inert to Substitution by Water intrans-Ru(P2)2(H2)H±type Complexes (P2= a Chelating Phosphine)?","Inorganic Chemistry","2009","48","","2976","2984","10.1021/ic801884x","","","0.71073","MoKα","","0.0908","0.066","","","0.1594","0.1724","","","","","","1.063","","","","has coordinates,has disorder","179055","2020-10-21","18:00:00",""
"4301869","17.1836","0.0004","8.3743","0.0002","22.6192","0.0005","90","","90","","90","","3254.92","0.13","292","2","292","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As2 Gd2 K2 Se9 -","- As2 Gd2 K2 Se9 -","- As16 Gd16 K16 Se72 -","8","1","","Yuandong Wu; Wolfgang Bensch","K2Ln2As2Se9 (Ln = Sm, Gd): The First Quaternary Rare-Earth Selenoarsenate Compounds with a 3D Framework Containing Chairlike As2Se4 Units","Inorganic Chemistry","2009","48","","2729","2731","10.1021/ic802368j","","","0.71073","MoKα","","0.0598","0.0393","","","0.0889","0.0964","","","","","","1.005","","","","has coordinates","179056","2020-10-21","18:00:00",""
"4301870","17.1739","0.0011","8.4628","0.0005","22.6963","0.0015","90","","90","","90","","3298.7","0.4","170","2","170","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As2 K2 Se9 Sm2 -","- As2 K2 Se9 Sm2 -","- As16 K16 Se72 Sm16 -","8","1","","Yuandong Wu; Wolfgang Bensch","K2Ln2As2Se9 (Ln = Sm, Gd): The First Quaternary Rare-Earth Selenoarsenate Compounds with a 3D Framework Containing Chairlike As2Se4 Units","Inorganic Chemistry","2009","48","","2729","2731","10.1021/ic802368j","","","0.71073","MoKα","","0.0536","0.0348","","","0.0775","0.0844","","","","","","0.992","","","","has coordinates","179056","2020-10-21","18:00:00",""
"4302036","8.943","0.003","15.093","0.003","18.521","0.004","90","","90","","90","","2499.9","1.1","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13 H32 N2 O12 P4 Zn3 -","- C13 H32 N2 O12 P4 Zn3 -","- C52 H128 N8 O48 P16 Zn12 -","4","0.5","","Zhien Lin; Hari Pada Nayek; Stefanie Dehnen","Transformation of a Layered Zinc Phosphite to a Three-Dimensional Open-Framework Structure with Intersecting 16- and 12-Ring Channels","Inorganic Chemistry","2009","48","","3517","3519","10.1021/ic900306t","","","0.71073","MoKα","","0.0358","0.0262","","","0.0624","0.0644","","","","","","0.96","","","","has coordinates","179058","2020-10-21","18:00:00",""
"4302073","8.5785","0.0004","31.9322","0.0015","13.8236","0.0007","90","","90","","90","","3786.7","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H17 N5 O18 Pr2 -","- C24 H17 N5 O18 Pr2 -","- C96 H68 N20 O72 Pr8 -","4","0.5","","Yongcai Qiu; Hong Deng; Shihe Yang; Jixia Mou; Carole Daiguebonne; Nicolas Kerbellec; Olivier Guillou; Stuart R. Batten","Syntheses, Crystal Structures, and Gas Storage Studies in New Three-Dimensional 5-Aminoisophthalate Praseodymium Polymeric Complexes","Inorganic Chemistry","2009","48","","3976","3981","10.1021/ic8020518","","","0.71073","MoKα","","0.0545","0.0349","","","0.0849","0.0901","","","","","","1","","","","has coordinates","179058","2020-10-21","18:00:00",""
"4302098","14.752","0.005","10.577","0.005","33.972","0.01","90","","90","","90","","5301","3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C27.5 H32.5 Fe N4.5 -","- C27.5 H32.5 Fe N4.5 -","- C220 H260 Fe8 N36 -","8","1","","Joel S. Miller; Peter K. Gantzel; Arnold L. Rheingold; Michelle L. Taliaferro","Structures of the Solvated Organic-Based Ferromagnet Decamethylferrocenium Tetracyanoethenide, [FeCp*2].+[TCNE].-.yRCN (R = Me, Et,n-Pr)","Inorganic Chemistry","2009","48","","4201","4206","10.1021/ic900075j","","","0.71073","MoKα","","0.1324","0.0796","","","0.1969","0.2219","","","","","","0.995","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4302121","7.8847","0.0004","9.077","0.0005","11.5055","0.0006","90","","90","","90","","823.44","0.08","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","Pentalutetium triantimonide","","","- Lu5 Sb3 -","- Lu5 Sb3 -","- Lu20 Sb12 -","4","0.5","","Shalabh Gupta; E. Alejandro León-Escamilla; Fei Wang; Gordon J. Miller; John D. Corbett","R5Pn3-type Phases of the Heavier Trivalent Rare-Earth-Metal Pnictides (Pn = Sb, Bi): New Phase Transitions for Er5Sb3 and Tm5Sb3","Inorganic Chemistry","2009","48","","4362","4371","10.1021/ic802464u","","","0.71073","MoKα","","0.0264","0.0218","","","0.0428","0.0444","","","","","","1.091","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302122","11.6034","0.0005","9.1077","0.0004","7.9841","0.0004","90","","90","","90","","843.76","0.07","273","2","273","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Sb3 Tm5 -","- Sb3 Tm5 -","- Sb12 Tm20 -","4","0.5","","Shalabh Gupta; E. Alejandro León-Escamilla; Fei Wang; Gordon J. Miller; John D. Corbett","R5Pn3-type Phases of the Heavier Trivalent Rare-Earth-Metal Pnictides (Pn = Sb, Bi): New Phase Transitions for Er5Sb3 and Tm5Sb3","Inorganic Chemistry","2009","48","","4362","4371","10.1021/ic802464u","","","0.71073","MoKα","","0.0252","0.0241","","","0.0609","0.0612","","","","","","1.385","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302130","16.145","0.006","21.09","0.008","8.026","0.003","90","","90","","90","","2732.8","1.8","193","2","193","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H25 Fe N3 O P2 -","- C31 H25 Fe N3 O P2 -","- C124 H100 Fe4 N12 O4 P8 -","4","0.5","","C. Matthew Whaley; Thomas B. Rauchfuss; Scott R. Wilson","Coordination Chemistry of [HFe(CN)2(CO)3]- and Its Derivatives: Toward a Model for the Iron Subsite of the [NiFe]-Hydrogenases","Inorganic Chemistry","2009","48","","4462","4469","10.1021/ic900200s","","","0.71073","MoKα","","0.0674","0.0444","","","0.1091","0.1208","","","","","","0.94","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4302565","15.1913","0.0008","18.1727","0.001","13.4668","0.0007","90","","90","","90","","3717.7","0.3","120","","120","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C27 H63 Cl Co I N3 P3 Zr -","- C27 H63 Cl Co I N3 P3 Zr -","- C108 H252 Cl4 Co4 I4 N12 P12 Zr4 -","4","0.5","","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","","0.031","0.03","","0.0648","0.062","0.0648","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4302624","27.2552","0.0011","20.1771","0.0007","15.3894","0.0005","90","","90","","90","","8463.1","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C160 H80 O90 Pb20 -","- C160 H80 O90 Pb20 -","- C320 H160 O180 Pb40 -","2","0.25","","Lei Zhang; Zhao-Ji Li; Qi-Pu Lin; Ye-Yan Qin; Jian Zhang; Pei-Xiu Yin; Jian-Kai Cheng; Yuan-Gen Yao","Synthesis, Structure, and Luminescent Properties of Hybrid Inorganic-Organic Framework Materials Formed by Lead Aromatic Carboxylates: Inorganic Connectivity Variation from 0D to 3D","Inorganic Chemistry","2009","48","","6517","6525","10.1021/ic900425r","","","0.71073","MoKα","","0.0727","0.0533","","","0.1246","0.1358","","","","","","1.027","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302626","6.418","0.002","10.099","0.003","17.553","0.005","90","","90","","90","","1137.7","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H5 Na O7 Pb -","- C9 H5 Na O7 Pb -","- C36 H20 Na4 O28 Pb4 -","4","0.5","","Lei Zhang; Zhao-Ji Li; Qi-Pu Lin; Ye-Yan Qin; Jian Zhang; Pei-Xiu Yin; Jian-Kai Cheng; Yuan-Gen Yao","Synthesis, Structure, and Luminescent Properties of Hybrid Inorganic-Organic Framework Materials Formed by Lead Aromatic Carboxylates: Inorganic Connectivity Variation from 0D to 3D","Inorganic Chemistry","2009","48","","6517","6525","10.1021/ic900425r","","","0.71073","MoKα","","0.0218","0.0198","","","0.06","0.0614","","","","","","1.023","","","","has coordinates","289785","2024-02-12","08:29:27",""
"4302688","7.1574","0.0009","14.6225","0.0017","7.7801","0.0009","90","","90","","90","","814.26","0.17","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd3.55 Ge4 Mg1.45 -","- Gd3.544 Ge4 Mg1.456 -","- Gd14.176 Ge16 Mg5.824 -","4","0.5","","Paul H. Tobash; Svilen Bobev; Joe D. Thompson; John L. Sarrao","Magnesium Substitutions in Rare-Earth Metal Germanides with the Orthorhombic Gd5Si4-type Structure. Synthesis, Crystal Chemistry, and Magnetic Properties of RE5-xMgxGe4 (RE= Gd-Tm, Lu, and Y)","Inorganic Chemistry","2009","48","","6641","6651","10.1021/ic900616c","","","0.71073","MoKα","","0.0476","0.0323","","","0.0658","0.0697","","","","","","1.024","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302689","7.128","0.005","14.512","0.011","7.732","0.006","90","","90","","90","","799.8","1","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge4 Mg1.48 Tb3.52 -","- Ge4 Mg1.478 Tb3.522 -","- Ge16 Mg5.912 Tb14.088 -","4","0.5","","Paul H. Tobash; Svilen Bobev; Joe D. Thompson; John L. Sarrao","Magnesium Substitutions in Rare-Earth Metal Germanides with the Orthorhombic Gd5Si4-type Structure. Synthesis, Crystal Chemistry, and Magnetic Properties of RE5-xMgxGe4 (RE= Gd-Tm, Lu, and Y)","Inorganic Chemistry","2009","48","","6641","6651","10.1021/ic900616c","","","0.71073","MoKα","","0.0368","0.0293","","","0.0614","0.0648","","","","","","1.049","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302690","7.0845","0.0014","14.425","0.003","7.6874","0.0016","90","","90","","90","","785.6","0.3","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Dy3.5 Ge4 Mg1.5 -","- Dy3.498 Ge4 Mg1.502 -","- Dy13.992 Ge16 Mg6.008 -","4","0.5","","Paul H. Tobash; Svilen Bobev; Joe D. Thompson; John L. Sarrao","Magnesium Substitutions in Rare-Earth Metal Germanides with the Orthorhombic Gd5Si4-type Structure. Synthesis, Crystal Chemistry, and Magnetic Properties of RE5-xMgxGe4 (RE= Gd-Tm, Lu, and Y)","Inorganic Chemistry","2009","48","","6641","6651","10.1021/ic900616c","","","0.71073","MoKα","","0.0593","0.0366","","","0.0582","0.0661","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4302691","6.9989","0.0012","14.265","0.002","7.6438","0.0013","90","","90","","90","","763.2","0.2","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge4 Ho2.92 Mg2.08 -","- Ge4 Ho2.9176 Mg2.0824 -","- Ge16 Ho11.6704 Mg8.3296 -","4","0.5","","Paul H. Tobash; Svilen Bobev; Joe D. Thompson; John L. Sarrao","Magnesium Substitutions in Rare-Earth Metal Germanides with the Orthorhombic Gd5Si4-type Structure. Synthesis, Crystal Chemistry, and Magnetic Properties of RE5-xMgxGe4 (RE= Gd-Tm, Lu, and Y)","Inorganic Chemistry","2009","48","","6641","6651","10.1021/ic900616c","","","0.71073","MoKα","","0.0187","0.0168","","","0.0375","0.0383","","","","","","1.153","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302692","7.0084","0.0007","14.2769","0.0014","7.6482","0.0007","90","","90","","90","","765.27","0.13","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge4 Ho3.05 Mg1.95 -","- Ge4 Ho3.0518 Mg1.9482 -","- Ge16 Ho12.2072 Mg7.7928 -","4","0.5","","Paul H. Tobash; Svilen Bobev; Joe D. Thompson; John L. Sarrao","Magnesium Substitutions in Rare-Earth Metal Germanides with the Orthorhombic Gd5Si4-type Structure. Synthesis, Crystal Chemistry, and Magnetic Properties of RE5-xMgxGe4 (RE= Gd-Tm, Lu, and Y)","Inorganic Chemistry","2009","48","","6641","6651","10.1021/ic900616c","","","0.71073","MoKα","","0.022","0.0199","","","0.0398","0.0404","","","","","","1.167","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302693","7.026","0.0013","14.315","0.003","7.6609","0.0014","90","","90","","90","","770.5","0.3","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge4 Ho3.2 Mg1.8 -","- Ge4 Ho3.196 Mg1.804 -","- Ge16 Ho12.784 Mg7.216 -","4","0.5","","Paul H. Tobash; Svilen Bobev; Joe D. Thompson; John L. Sarrao","Magnesium Substitutions in Rare-Earth Metal Germanides with the Orthorhombic Gd5Si4-type Structure. Synthesis, Crystal Chemistry, and Magnetic Properties of RE5-xMgxGe4 (RE= Gd-Tm, Lu, and Y)","Inorganic Chemistry","2009","48","","6641","6651","10.1021/ic900616c","","","0.71073","MoKα","","0.0552","0.0337","","","0.0632","0.069","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4302694","7.033","0.004","14.337","0.009","7.661","0.005","90","","90","","90","","772.5","0.8","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge4 Ho3.29 Mg1.71 -","- Ge4 Ho3.288 Mg1.712 -","- Ge16 Ho13.152 Mg6.848 -","4","0.5","","Paul H. Tobash; Svilen Bobev; Joe D. Thompson; John L. Sarrao","Magnesium Substitutions in Rare-Earth Metal Germanides with the Orthorhombic Gd5Si4-type Structure. Synthesis, Crystal Chemistry, and Magnetic Properties of RE5-xMgxGe4 (RE= Gd-Tm, Lu, and Y)","Inorganic Chemistry","2009","48","","6641","6651","10.1021/ic900616c","","","0.71073","MoKα","","0.0263","0.0213","","","0.0468","0.0486","","","","","","1.07","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302695","7.071","0.0011","14.419","0.002","7.6627","0.0012","90","","90","","90","","781.3","0.2","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge4 Ho3.62 Mg1.38 -","- Ge4 Ho3.614 Mg1.386 -","- Ge16 Ho14.456 Mg5.544 -","4","0.5","","Paul H. Tobash; Svilen Bobev; Joe D. Thompson; John L. Sarrao","Magnesium Substitutions in Rare-Earth Metal Germanides with the Orthorhombic Gd5Si4-type Structure. Synthesis, Crystal Chemistry, and Magnetic Properties of RE5-xMgxGe4 (RE= Gd-Tm, Lu, and Y)","Inorganic Chemistry","2009","48","","6641","6651","10.1021/ic900616c","","","0.71073","MoKα","","0.0457","0.0327","","","0.0532","0.0576","","","","","","1.024","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302696","7.0845","0.0013","14.445","0.003","7.6677","0.0014","90","","90","","90","","784.7","0.3","273","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge4 Ho3.77 Mg1.23 -","- Ge4 Ho3.772 Mg1.228 -","- Ge16 Ho15.088 Mg4.912 -","4","0.5","","Paul H. Tobash; Svilen Bobev; Joe D. Thompson; John L. Sarrao","Magnesium Substitutions in Rare-Earth Metal Germanides with the Orthorhombic Gd5Si4-type Structure. Synthesis, Crystal Chemistry, and Magnetic Properties of RE5-xMgxGe4 (RE= Gd-Tm, Lu, and Y)","Inorganic Chemistry","2009","48","","6641","6651","10.1021/ic900616c","","","0.71073","MoKα","","0.0468","0.0319","","","0.0586","0.0621","","","","","","0.987","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302697","7.0214","0.0005","14.3063","0.001","7.635","0.0005","90","","90","","90","","766.94","0.09","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Er3.41 Ge4 Mg1.59 -","- Er3.4086 Ge4 Mg1.5914 -","- Er13.6344 Ge16 Mg6.3656 -","4","0.5","","Paul H. Tobash; Svilen Bobev; Joe D. Thompson; John L. Sarrao","Magnesium Substitutions in Rare-Earth Metal Germanides with the Orthorhombic Gd5Si4-type Structure. Synthesis, Crystal Chemistry, and Magnetic Properties of RE5-xMgxGe4 (RE= Gd-Tm, Lu, and Y)","Inorganic Chemistry","2009","48","","6641","6651","10.1021/ic900616c","","","0.71073","MoKα","","0.0272","0.0215","","","0.0445","0.046","","","","","","1.081","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302698","7.0128","0.0009","14.2702","0.0018","7.5998","0.0009","90","","90","","90","","760.54","0.16","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge4 Mg1.49 Tm3.51 -","- Ge4 Mg1.488 Tm3.512 -","- Ge16 Mg5.952 Tm14.048 -","4","0.5","","Paul H. Tobash; Svilen Bobev; Joe D. Thompson; John L. Sarrao","Magnesium Substitutions in Rare-Earth Metal Germanides with the Orthorhombic Gd5Si4-type Structure. Synthesis, Crystal Chemistry, and Magnetic Properties of RE5-xMgxGe4 (RE= Gd-Tm, Lu, and Y)","Inorganic Chemistry","2009","48","","6641","6651","10.1021/ic900616c","","","0.71073","MoKα","","0.0413","0.0282","","","0.0526","0.0553","","","","","","0.969","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302699","6.975","0.0008","14.2241","0.0016","7.5619","0.0009","90","","90","","90","","750.24","0.15","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge4 Lu3.6 Mg1.4 -","- Ge4 Lu3.602 Mg1.398 -","- Ge16 Lu14.408 Mg5.592 -","4","0.5","","Paul H. Tobash; Svilen Bobev; Joe D. Thompson; John L. Sarrao","Magnesium Substitutions in Rare-Earth Metal Germanides with the Orthorhombic Gd5Si4-type Structure. Synthesis, Crystal Chemistry, and Magnetic Properties of RE5-xMgxGe4 (RE= Gd-Tm, Lu, and Y)","Inorganic Chemistry","2009","48","","6641","6651","10.1021/ic900616c","","","0.71073","MoKα","","0.0339","0.0249","","","0.0492","0.0517","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4302700","7.0854","0.0019","14.465","0.004","7.718","0.002","90","","90","","90","","791","0.4","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge4 Mg1.51 Y3.49 -","- Ge4 Mg1.508 Y3.492 -","- Ge16 Mg6.032 Y13.968 -","4","0.5","","Paul H. Tobash; Svilen Bobev; Joe D. Thompson; John L. Sarrao","Magnesium Substitutions in Rare-Earth Metal Germanides with the Orthorhombic Gd5Si4-type Structure. Synthesis, Crystal Chemistry, and Magnetic Properties of RE5-xMgxGe4 (RE= Gd-Tm, Lu, and Y)","Inorganic Chemistry","2009","48","","6641","6651","10.1021/ic900616c","","","0.71073","MoKα","","0.0194","0.0172","","","0.0387","0.0395","","","","","","1.078","","","","has coordinates","179065","2020-10-21","18:00:00",""
"4302701","7.567","0.003","14.562","0.007","7.638","0.004","90","","90","","90","","841.6","0.7","120","2","120","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ge4 Ho5 -","- Ge4 Ho5 -","- Ge16 Ho20 -","4","0.5","","Paul H. Tobash; Svilen Bobev; Joe D. Thompson; John L. Sarrao","Magnesium Substitutions in Rare-Earth Metal Germanides with the Orthorhombic Gd5Si4-type Structure. Synthesis, Crystal Chemistry, and Magnetic Properties of RE5-xMgxGe4 (RE= Gd-Tm, Lu, and Y)","Inorganic Chemistry","2009","48","","6641","6651","10.1021/ic900616c","","","0.71073","MoKα","","0.057","0.0369","","","0.0662","0.0733","","","","","","1.014","","","","has coordinates","179065","2020-10-21","18:00:00",""
"4303222","34.693","0.005","39.556","0.005","7.6751","0.0011","90","","90","","90","","10533","3","291","2","291","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C77 H76 B2 Cu3 Fe2 N24 O19 -","- C77 H76 B2 Cu3 Fe2 N24 O19 -","- C308 H304 B8 Cu12 Fe8 N96 O76 -","4","0.5","","Xiao-Ming Li; Cai-Feng Wang; Yong Ji; Ling-Chen Kang; Xin-Hui Zhou; Jing-Lin Zuo; Xiao-Zeng You","Heterometallic Complexes Based on the Mixed Bridging Ligands of Tricyanometalate and Terephthalate: Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2009","48","","9166","9173","10.1021/ic900757s","","","0.71073","MoKα","","0.1033","0.0638","","","0.119","0.1297","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4303342","16.158","0.003","14.383","0.003","7.3713","0.0015","90","","90","","90","","1713.1","0.6","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","sodium 15-crown-5 trisulfur trintride","","- C10 H20 N3 Na O5 S3 -","- C10 H20 N3 Na O5 S3 -","- C40 H80 N12 Na4 O20 S12 -","4","0.5","","Tracey L. Roemmele; Jari Konu; René T. Boeré; Tristram Chivers","Electrochemical and Chemical Reduction of Disulfur Dinitride: Formation of [S4N4]-., EPR Spectroscopic Characterization of the [S2N2H]. Radical, and X-ray Structure of [Na(15-crown-5)][S3N3]","Inorganic Chemistry","2009","48","","9454","9462","10.1021/ic9014114","","","0.71073","MoKα","","0.0952","0.0546","","","0.1267","0.1479","","","","","","1.032","","","","has coordinates","192779","2020-10-21","18:00:00",""
"4303401","11.8388","0.0015","34.882","0.004","16.429","0.002","90","","90","","90","","6784.5","1.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C33 H114 B33 Cl3 N6 -","- C33 H104 B33 Cl3 N6 -","- C132 H416 B132 Cl12 N24 -","4","0.5","","Jian Zhang; Fangrui Zheng; Hoi-Shan Chan; Zuowei Xie","Reaction of a 14-Vertex Carborane with Nucleophiles: Formation of nido-C2B12, nido-C2B11, and closo-CB11 Carborane Anions","Inorganic Chemistry","2009","48","","9786","9791","10.1021/ic901335w","","","0.71073","MoKα","","0.1626","0.1056","","","0.2622","0.3113","","","","","","1.035","","","","has coordinates","179072","2020-10-21","18:00:00",""
"4303521","7.485","0.0008","14.776","0.0013","7.77","0.0007","90","","90","","90","","859.35","0.14","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi0.1 Gd5 Si3.9 -","- Bi0.096 Gd5 Si3.904 -","- Bi0.384 Gd20 Si15.616 -","4","0.5","","Volodymyr Svitlyk; Branton J. Campbell; Yurij Mozharivskyj","Gd5Si4-xBix Structures: Novel Slab Sequences Achieved by Turning off the Directionality of Nearest-Slab Interactions","Inorganic Chemistry","2009","48","","10364","10370","10.1021/ic901582j","","","0.71073","MoKα","","0.0928","0.0474","","","0.0557","0.0626","","","","","","0.952","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303551","13.023","0.003","14.858","0.003","17.961","0.004","90","","90","","90","","3475.4","1.3","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","nicotinic acid tetra ethylene glycol calcium copper iodide diihydrate","","","- C20 H28 Ca Cu3 I5 N2 O9 -","- C20 H28 Ca Cu3 I5 N2 O9 -","- C80 H112 Ca4 Cu12 I20 N8 O36 -","4","0.5","","Fabienne Gschwind; Olha Sereda; Katharina M. Fromm","Multitopic Ligand Design: A Concept for Single-Source Precursors","Inorganic Chemistry","2009","48","","10535","10547","10.1021/ic9009064","","","0.71073","MoKα","","0.1208","0.0652","","","0.1061","0.118","","","","","","1.04","","","","has coordinates","179073","2020-10-21","18:00:00",""
"4303691","12.9091","0.0004","21.1485","0.0006","7.224","0.0002","90","","90","","90","","1972.21","0.1","110","","110","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H14 F10 N3 O Re -","- C18 H14 F10 N3 O Re -","- C72 H56 F40 N12 O4 Re4 -","4","0.5","","Yuee Feng; Joel Aponte; Paul J. Houseworth; Paul D. Boyle; Elon A. Ison","Synthesis of Oxorhenium(V) Complexes with Diamido Amine Ancillary Ligands and Their Role in Oxygen Atom Transfer Catalysis","Inorganic Chemistry","2009","48","","11058","11066","10.1021/ic901434u","","","0.7107","MoKα","","0.0474","0.0298","","","0.0538","0.0625","","","","","","1.179","","","","has coordinates","179074","2020-10-21","18:00:00",""
"4303694","13.0515","0.0005","21.5677","0.0009","8.4982","0.0003","90","","90","","90","","2392.17","0.16","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C23 H33 I N4 O Re -","- C23 H33 I N4 O Re -","- C92 H132 I4 N16 O4 Re4 -","4","0.5","","Yuee Feng; Joel Aponte; Paul J. Houseworth; Paul D. Boyle; Elon A. Ison","Synthesis of Oxorhenium(V) Complexes with Diamido Amine Ancillary Ligands and Their Role in Oxygen Atom Transfer Catalysis","Inorganic Chemistry","2009","48","","11058","11066","10.1021/ic901434u","","","0.7107","MoKα","","0.0588","0.0443","","","0.1263","0.1339","","","","","","1.099","","","","has coordinates,has disorder","179074","2020-10-21","18:00:00",""
"4303744","10.995","0.003","7.874","0.002","8.046","0.002","90","","90","","90","","696.6","0.3","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C2 H3 F4 N S W -","- C2 H3 F4 N S W -","- C8 H12 F16 N4 S4 W4 -","4","0.5","","Jared Nieboer; William Hillary; Xin Yu; Hélène P. A. Mercier; Michael Gerken","Syntheses, Characterization, and Computational Study of WSF4 and WSF4.CH3CN","Inorganic Chemistry","2009","48","","11251","11258","10.1021/ic901752w","","","0.71073","MoKα","","0.0127","0.0123","","","0.0301","0.0303","","","","","","1.147","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4303755","15.543","0.003","16.538","0.003","9.9733","0.0016","90","","90","","90","","2563.6","0.8","110","2","110","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H24 Fe I2 N2 O3 -","- C24 H24 Fe I2 N2 O3 -","- C96 H96 Fe4 I8 N8 O12 -","4","0.5","","Bin Li; Tianbiao Liu; Codrina V. Popescu; Andrey Bilko; Marcetta Y. Darensbourg","Synthesis and Mössbauer Characterization of Octahedral Iron(II) Carbonyl Complexes FeI2(CO)3L and FeI2(CO)2L2: Developing Models of the [Fe]-H2ase Active Site","Inorganic Chemistry","2009","48","","11283","11289","10.1021/ic9017882","","","0.71073","MoKα","","0.0639","0.0452","","","0.0989","0.1071","","","","","","1.009","","","","has coordinates","179075","2020-10-21","18:00:00",""
"4303937","5.84409","0.00021","8.1809","0.00026","5.73356","0.00019","90","","90","","90","","274.121","0.016","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- N O2 Pr Zr -","- N0.999 O2.001 Pr Zr -","- N3.996 O8.004 Pr4 Zr4 -","4","0.5","","Minghui Yang; Jennifer A. Rodgers; Lawrence C. Middler; Judith Oró-Solé; A. Belén Jorge; Amparo Fuertes; J. Paul Attfield","Direct Solid-State Synthesis at High Pressures of New Mixed-Metal Oxynitrides: RZrO2N (R = Pr, Nd, and Sm)","Inorganic Chemistry","2009","48","","11498","11500","10.1021/ic902020r","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303940","5.85373","0.00014","8.17071","0.00019","5.70934","0.00012","90","","90","","90","","273.073","0.011","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- N Nd O2 Zr -","- N0.999 Nd O2.001 Zr -","- N3.996 Nd4 O8.004 Zr4 -","4","0.5","","Minghui Yang; Jennifer A. Rodgers; Lawrence C. Middler; Judith Oró-Solé; A. Belén Jorge; Amparo Fuertes; J. Paul Attfield","Direct Solid-State Synthesis at High Pressures of New Mixed-Metal Oxynitrides: RZrO2N (R = Pr, Nd, and Sm)","Inorganic Chemistry","2009","48","","11498","11500","10.1021/ic902020r","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303943","5.84234","0.00024","8.12817","0.00032","5.66218","0.00019","90","","90","","90","","268.883","0.018","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- N O2 Sm Zr -","- N0.999 O2.001 Sm Zr -","- N3.996 O8.004 Sm4 Zr4 -","4","0.5","","Minghui Yang; Jennifer A. Rodgers; Lawrence C. Middler; Judith Oró-Solé; A. Belén Jorge; Amparo Fuertes; J. Paul Attfield","Direct Solid-State Synthesis at High Pressures of New Mixed-Metal Oxynitrides: RZrO2N (R = Pr, Nd, and Sm)","Inorganic Chemistry","2009","48","","11498","11500","10.1021/ic902020r","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304043","13.189","0.006","7.917","0.003","10.708","0.005","90","","90","","90","","1118.1","0.8","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Lithium neptunyl silicate tetrahydrate","Lithium neptunyl silicate tetrahydrate","","- Li4 Np4 O27 Si4 -","- Li5.38 Np4 O27 Si4 -","- Li10.76 Np8 O54 Si8 -","2","0.25","","T. Z. Forbes; P. C. Burns","Synthesis, Structure, and Infrared Spectroscopy of the First Np5+ Neptunyl Silicates, Li6(NpO2)4(H2Si2O7)(HSiO4)2(H2O)4 and K3(NpO2)3(Si2O7)","Inorganic Chemistry","2008","47","","705","712","10.1021/ic701335j","","","0.71073","MoKα","","0.0806","0.0455","","","0.1086","0.1364","","","","","","1.063","","","","has coordinates","179078","2020-10-21","18:00:00",""
"4304058","27.422","0.002","26.56","0.002","11.1115","0.001","90","","90","","90","","8092.8","1.1","273","2","273","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H36 Cu2 N12 O14 S2 -","- C36 H36 Cu2 N12 O14 S2 -","- C288 H288 Cu16 N96 O112 S16 -","8","1","","Ming-Xing Li; Zhi-Xin Miao; Min Shao; Sheng-Wen Liang; Shou-Rong Zhu","Metal-Organic Frameworks Constructed from 2,4,6-Tris(4-pyridyl)-1,3,5-triazine","Inorganic Chemistry","2008","47","","4481","4489","10.1021/ic701346x","","","0.71073","MoKα","","0.0792","0.0453","","","0.0961","0.1119","","","","","","1.039","","","","has coordinates","179078","2020-10-21","18:00:00",""
"4304124","11.1318","0.0007","6.6926","0.0004","17.3114","0.0012","90","","90","","90","","1289.71","0.14","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H6 N2 O6 U -","- C14 H6 N2 O6 U -","- C56 H24 N8 O24 U4 -","4","0.5","","Nolan E. Dean; Robert D. Hancock; Christopher L. Cahill; Mark Frisch","Affinity of the Highly Preorganized Ligand PDA (1,10-Phenanthroline-2,9-dicarboxylic acid) for Large Metal Ions of Higher Charge. A Crystallographic and Thermodynamic Study of PDA Complexes of Thorium(IV) and the Uranyl(VI) ion","Inorganic Chemistry","2008","47","","2000","2010","10.1021/ic701574j","","","0.71073","MoKα","","0.0488","0.0313","","","0.0484","0.0527","","","","","","1.055","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304128","10.3622","0.0004","12.3659","0.0006","11.3394","0.0006","90","","90","","90","","1453.01","0.12","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H22 Ta -","- C17 H22 Ta -","- C68 H88 Ta4 -","4","0.5","","Wontae Noh; Gregory S. Girolami","Synthesis and Characterization of the Cycloheptatrienyl Tantalum ""Mixed-Sandwich"" Compounds (C5R5)Ta(C7H7)","Inorganic Chemistry","2008","47","","535","542","10.1021/ic7015963","","","0.71073","MoKα","","0.0776","0.035","","","0.0562","0.0632","","","","","","0.785","","","","has coordinates,has disorder","179079","2020-10-21","18:00:00",""
"4304467","21.387","0.002","41.838","0.005","3.8011","0.0004","90","","90","","90","","3401.2","0.6","150.1","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H12 Cl4 Cu3 N6 S12 -","- C24 H12 Cl4 Cu3 N6 S12 -","- C96 H48 Cl16 Cu12 N24 S48 -","4","0.5","","Shun Ichikawa; Shinya Kimura; Kazuyuki Takahashi; Hatsumi Mori; Gosuke Yoshida; Yuichi Manabe; Masaki Matsuda; Hiroyuki Tajima; Jun-ichi Yamaura","Intrinsic Carrier Doping in Antiferromagnetically Interacted Supramolecular Copper Complexes with (Pyrazino)tetrathiafulvalene (Pyra-TTF) as the Ligand, [CuIICl2(pyra-TTF)] and (Pyra-TTF)2[CuI3Cl4(pyra-TTF)]","Inorganic Chemistry","2008","47","","4140","4145","10.1021/ic7019632","","","0.71069","MoKα","","","0.0945","","","","0.2221","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304469","15.383","0.001","8.612","0.001","13.902","0.001","90","","90","","90","","1841.7","0.3","298.2","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H21 F3 N3 O5 Re -","- C24 H39 F5 N5 O7 Re -","- C96 H156 F20 N20 O28 Re4 -","4","0.5","","Keisuke Suzuki; Naomi Shimmura; Khajadpai Thipyapong; Tomoya Uehara; Hiromichi Akizawa; Yasushi Arano","Assessment of Macrocyclic Triamine Ligands As Synthons for Organometallic 99mTc Radiopharmaceuticals","Inorganic Chemistry","2008","47","","2593","2600","10.1021/ic7019654","","","1.5418","CuKα","","","0.0394","","","","0.0545","","","","","","1.412","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304518","12.528","0.003","18.852","0.004","6.0896","0.0012","90","","90","","90","","1438.2","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 F2 Fe1.5 S3 -","- Ba2 F2 Fe1.5 S3 -","- Ba16 F16 Fe12 S24 -","8","1","","Houria Kabbour; Laurent Cario","Ba2F2Fe2+0.5Fe3+S3: A Two-Dimensional Inhomogeneous Mixed Valence Iron Compound","Inorganic Chemistry","2008","47","","1648","1652","10.1021/ic702021s","","","0.71073","MoKα","","0.0627","0.0267","","","0.0455","0.0507","","","","","","0.961","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304687","13.614","0.007","6.968","0.004","14.944","0.008","90","","90","","90","","1417.6","1.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Ir(CO)~2~(OC(CH~3~)CHC(CH~3~)(p-tol))","","","- C14 H14 Ir N O3 -","- C14 H14 Ir N O3 -","- C56 H56 Ir4 N4 O12 -","4","0.5","","Emily M. Gussenhoven; Marilyn M. Olmstead; James C. Fettinger; Alan L. Balch","Interplay of Supramolecular Organization, Metallophilic Interactions, Phase Changes, and Luminescence in Four Polymorphs of IrI(CO)2(OC(CH3)CHC(CH3)N(p-tol))","Inorganic Chemistry","2008","47","","4570","4578","10.1021/ic702243z","","","0.71073","MoKα","","0.0181","0.015","","","0.0385","0.0397","","","","","","1.062","","","","has coordinates,has disorder","179084","2020-10-21","18:00:00",""
"4304737","19.175","0.004","17.553","0.004","12.3","0.003","90","","90","","90","","4139.9","1.6","123.1","","","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C44 H46 N2 O P2 Pd S2 W -","- C44 H46 N2 O P2 Pd S2 W -","- C176 H184 N8 O4 P8 Pd4 S8 W4 -","4","0.5","","Kazuya Arashiba; Hidetaka Iizuka; Shoji Matsukawa; Shigeki Kuwata; Yoshiaki Tanabe; Masakazu Iwasaki; Youichi Ishii","Synthesis, Structures, and Properties of Group 9- and Group 10-Group 6 Heterodinuclear Nitrosyl Complexes","Inorganic Chemistry","2008","47","","4264","4274","10.1021/ic702309h","","","0.7107","MoKα","","","0.0211","","","","0.025","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304844","13.616","0.005","15.386","0.005","18.9","0.005","90","","90","","90","","3959","2","100","2","100","2","","","","","","","Sodium Molybdate","8","P n m a","-P 2ac 2n","62","[Et4N][Mo(PPh3)(I)(mnt)2].CH2Cl2","Tetraethylammonium bis(1,2-dicyanoethylenedithiolato) iodo triphenylphosphinato molybdate (IV)","","- C35 H37 Cl2 I Mo N5 P S4 -","- C35 H37 Cl2 I Mo N5 P S4 -","- C140 H148 Cl8 I4 Mo4 N20 P4 S16 -","4","0.5","","Amit Majumdar; Kuntal Pal; Sabyasachi Sarkar","Selectivity of Thiolate Ligand and Preference of Substrate in Model Reactions of Dissimilatory Nitrate Reductase","Inorganic Chemistry","2008","47","","3393","3401","10.1021/ic7024268","","","0.71069","MoKα","","0.0631","0.0506","","","0.1139","0.1196","","","","","","1.043","","","","has coordinates,has disorder","179086","2020-10-21","18:00:00",""
"4304876","19.8652","0.0015","6.7447","0.0005","10.1085","0.0008","90","","90","","90","","1354.39","0.18","90","","90","","","","","","","","","6","P n m a","-P 2ac 2n","62","[Au{C(NHCH3)2}2]PF6","","","- C6 H16 Au F6 N4 P -","- C6 H16 Au F6 N4 P -","- C24 H64 Au4 F24 N16 P4 -","4","0.5","","Daniel Rios; David M. Pham; James C. Fettinger; Marilyn M. Olmstead; Alan L. Balch","Blue or Green Glowing Crystals of the Cation [Au{C(NHMe)2}2]+. Structural Effects of Anions, Hydrogen Bonding, and Solvate Molecules on the Luminescence of a Two-Coordinate Gold(I) Carbene Complex","Inorganic Chemistry","2008","47","","3442","3451","10.1021/ic702481v","","","0.71073","MoKα","","0.04","0.032","","","0.0715","0.0754","","","","","","1.196","","","","has coordinates","179086","2020-10-21","18:00:00",""
"4304877","20.1461","0.0017","6.6955","0.0006","10.2929","0.0009","90","","90","","90","","1388.4","0.2","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","[Au{C(NHCH3)2}2]AsF6","","","- C6 H16 As Au F6 N4 -","- C6 H16 As Au F6 N4 -","- C24 H64 As4 Au4 F24 N16 -","4","0.5","","Daniel Rios; David M. Pham; James C. Fettinger; Marilyn M. Olmstead; Alan L. Balch","Blue or Green Glowing Crystals of the Cation [Au{C(NHMe)2}2]+. Structural Effects of Anions, Hydrogen Bonding, and Solvate Molecules on the Luminescence of a Two-Coordinate Gold(I) Carbene Complex","Inorganic Chemistry","2008","47","","3442","3451","10.1021/ic702481v","","","0.71073","MoKα","","0.0201","0.0169","","","0.0407","0.0418","","","","","","1.13","","","","has coordinates","179086","2020-10-21","18:00:00",""
"4304939","16.9347","0.0007","21.6624","0.001","11.2152","0.0005","90","","90","","90","","4114.3","0.3","300","2","300","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H44 Cl5 O9 Ru2 -","- C34 H44 Cl5 O9 Ru2 -","- C136 H176 Cl20 O36 Ru8 -","4","0.5","","Julia E. Barker; Tong Ren","Diruthenium(II,III) Bis(tetramethyl-1,3-benzenedipropionate) as a Novel Catalyst for tert-Butyl Hydroperoxide Oxygenation","Inorganic Chemistry","2008","47","","2264","2266","10.1021/ic800035w","","","0.71073","MoKα","","0.0585","0.0367","","","0.082","0.0873","","","","","","1.017","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4304952","22.17","0.003","16.43","0.002","10.885","0.0015","90","","90","","90","","3964.9","0.9","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Lithium tetrahydrofuran Uranium(IV) hexakis(tert-butoxide)","","- C32 H70 Li2 O8 U -","- C32 H61 Li2 O8 U -","- C128 H244 Li8 O32 U4 -","4","0.5","","Skye Fortier; Guang Wu; Trevor W. Hayton","Synthesis and Characterization of Three Homoleptic Alkoxides of Uranium: [Li(THF)]2[UIV(OtBu)6], [Li(Et2O)][UV(OtBu)6], and UVI(OtBu)6","Inorganic Chemistry","2008","47","","4752","4761","10.1021/ic800067k","","","0.71073","MoKα","","0.1128","0.0596","","","0.1326","0.1484","","","","","","0.874","","","","has coordinates,has disorder","179087","2020-10-21","18:00:00",""
"4305221","17.019","0.004","6.5844","0.0016","12.262","0.003","90","","90","","90","","1374.1","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13.61 H5 Al O7.8 -","- C13.6128 H5 Al O7.8048 -","- C54.4512 H20 Al4 O31.2192 -","4","0.5","","Marie Vougo-Zanda; Jin Huang; Ekaterina Anokhina; Xiqu Wang; Allan J. Jacobson","Tossing and Turning: Guests in the Flexible Frameworks of Metal(III) Dicarboxylates","Inorganic Chemistry","2008","47","","11535","11542","10.1021/ic800008f","","","0.71073","MoKα","","0.07","0.0503","","","0.1385","0.1509","","","","","","1.07","","","","has coordinates","179090","2020-10-21","18:00:00",""
"4305222","17.525","0.004","6.7216","0.0016","11.893","0.003","90","","90","","90","","1400.9","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H6.5 Ga O8 -","- C13.952 H4 Ga O7.976 -","- C55.808 H16 Ga4 O31.904 -","4","0.5","","Marie Vougo-Zanda; Jin Huang; Ekaterina Anokhina; Xiqu Wang; Allan J. Jacobson","Tossing and Turning: Guests in the Flexible Frameworks of Metal(III) Dicarboxylates","Inorganic Chemistry","2008","47","","11535","11542","10.1021/ic800008f","","","0.71073","MoKα","","0.0547","0.0508","","","0.1663","0.1686","","","","","","1.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305223","17.41","0.003","6.7444","0.001","12.1646","0.0017","90","","90","","90","","1428.4","0.4","570","2","570","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13.9 H4.82 F0.17 Ga O7.8 -","- C13.904 H4.84 F0.16 Ga O7.792 -","- C55.616 H19.36 F0.64 Ga4 O31.168 -","4","0.5","","Marie Vougo-Zanda; Jin Huang; Ekaterina Anokhina; Xiqu Wang; Allan J. Jacobson","Tossing and Turning: Guests in the Flexible Frameworks of Metal(III) Dicarboxylates","Inorganic Chemistry","2008","47","","11535","11542","10.1021/ic800008f","","","0.71073","MoKα","","0.0379","0.0321","","","0.1053","0.1094","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305278","14.3384","0.0004","13.3522","0.0004","12.3444","0.0004","90","","90","","90","","2363.33","0.12","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H26 Cu5 N12 O -","- C11 H26 Cu5 N12 O -","- C44 H104 Cu20 N48 O4 -","4","0.5","","Hong Deng; Yongcai Qiu; Carole Daiguebonne; Nicolas Kerbellec; Olivier Guillou; Matthias Zeller; Stuart R. Batten","Synthesis of New Copper Cyanide complexes via the Transformation of Organonitrile to Inorganic Cyanide","Inorganic Chemistry","2008","47","","5866","5872","10.1021/ic800164b","","","0.71073","MoKα","","0.122","0.0705","","","0.1837","0.2152","","","","","","1.053","","","","has coordinates","179090","2020-10-21","18:00:00",""
"4305323","15.9529","0.0009","5.7135","0.0003","12.9442","0.0007","90","","90","","90","","1179.82","0.11","295","2","295","2","","","","","","","","3","P n m a","-P 2ac 2n","62","ytterbium titanium antimonide (2/11/14)","ytterbium titanium antimonide (2/11/14)","","- Sb14.43 Ti10.57 Yb2 -","- Sb14.422 Ti10.578 Yb2 -","- Sb28.844 Ti21.156 Yb4 -","2","0.25","","Haiying Bie; Arthur Mar","Ternary Rare-Earth Titanium Antimonides RE2Ti11-xSb14+x (RE= Sm, Gd, Tb, Yb)","Inorganic Chemistry","2008","47","","6763","6770","10.1021/ic800317c","","","0.71073","MoKα","","0.0287","0.0235","","","0.0488","0.0499","","","","","","1.151","","","","has coordinates","179091","2020-10-21","18:00:00",""
"4305324","15.8865","0.0006","5.7164","0.0002","12.9244","0.0005","90","","90","","90","","1173.71","0.08","295","2","295","2","","","","","","","","3","P n m a","-P 2ac 2n","62","samarium titanium antimonide (2/11/14)","samarium titanium antimonide (2/11/14)","","- Sb14 Sm2 Ti11 -","- Sb14 Sm2 Ti11 -","- Sb28 Sm4 Ti22 -","2","0.25","","Haiying Bie; Arthur Mar","Ternary Rare-Earth Titanium Antimonides RE2Ti11-xSb14+x (RE= Sm, Gd, Tb, Yb)","Inorganic Chemistry","2008","47","","6763","6770","10.1021/ic800317c","","","0.71073","MoKα","","0.0232","0.0193","","","0.0415","0.0424","","","","","","1.101","","","","has coordinates","179091","2020-10-21","18:00:00",""
"4305325","15.8693","0.0018","5.7036","0.0006","12.9309","0.0015","90","","90","","90","","1170.4","0.2","295","2","295","2","","","","","","","","3","P n m a","-P 2ac 2n","62","terbium titanium antimonide (2/11/14)","terbium titanium antimonide (2/11/14)","","- Sb14.6 Tb2 Ti10.4 -","- Sb14.588 Tb2 Ti10.412 -","- Sb29.176 Tb4 Ti20.824 -","2","0.25","","Haiying Bie; Arthur Mar","Ternary Rare-Earth Titanium Antimonides RE2Ti11-xSb14+x (RE= Sm, Gd, Tb, Yb)","Inorganic Chemistry","2008","47","","6763","6770","10.1021/ic800317c","","","0.71073","MoKα","","0.0554","0.0327","","","0.0566","0.0614","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305474","9.115","0.005","6.141","0.004","10.967","0.007","90","","90","","90","","613.9","0.7","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","methyl-1,2,4-triazolium nitrate","1-methyl-1,2,4-triazolium nitrate","","- C3 H6 N4 O3 -","- C3 H6 N4 O3 -","- C12 H24 N16 O12 -","4","0.5","","Stefan Schneider; Tommy Hawkins; Michael Rosander; Jeffrey Mills; Ghanshyam Vaghjiani; Steven Chambreau","Liquid Azide Salts and Their Reactions with Common Oxidizers IRFNA and N2O4","Inorganic Chemistry","2008","47","","6082","6089","10.1021/ic8004739","","","0.71073","MoKα","","0.0437","0.0387","","","0.0871","0.1001","","","","","","1.129","","","","has coordinates","179092","2020-10-21","18:00:00",""
"4305741","18.1637","0.0016","22.4499","0.0018","9.7448","0.0008","90","","90","","90","","3973.7","0.6","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","VO(tn-OEP)(py)","","","- C41 H45 N9 O9 V -","- C41 H45 N9 O9 V -","- C164 H180 N36 O36 V4 -","4","0.5","","Sudip Kumar Ghosh; Ranjan Patra; Sankar Prasad Rath","Axial Ligand Coordination in Sterically Strained Vanadyl Porphyrins: Synthesis, Structure, and Properties","Inorganic Chemistry","2008","47","","9848","9856","10.1021/ic800714w","","","0.71073","MoKα","","0.0723","0.0609","","","0.1542","0.1651","","","","","","1.067","","","","has coordinates,has disorder","179095","2020-10-21","18:00:00",""
"4305742","18.3407","0.0014","22.4467","0.0016","9.5934","0.0007","90","","90","","90","","3949.5","0.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","VO(tn-OEP)(THF)","","","- C40 H48 N8 O10 V -","- C40 H48 N8 O10 V -","- C160 H192 N32 O40 V4 -","4","0.5","","Sudip Kumar Ghosh; Ranjan Patra; Sankar Prasad Rath","Axial Ligand Coordination in Sterically Strained Vanadyl Porphyrins: Synthesis, Structure, and Properties","Inorganic Chemistry","2008","47","","9848","9856","10.1021/ic800714w","","","0.71073","MoKα","","0.0694","0.057","","","0.144","0.1562","","","","","","1.042","","","","has coordinates,has disorder","179095","2020-10-21","18:00:00",""
"4305743","24.922","0.005","23.891","0.005","6.5645","0.0013","90","","90","","90","","3908.6","1.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","VO(tn-OEP)(OHMe)","","","- C37 H44 N8 O10 V -","- C37 H44.54 N8 O10 V -","- C148 H178.16 N32 O40 V4 -","4","0.5","","Sudip Kumar Ghosh; Ranjan Patra; Sankar Prasad Rath","Axial Ligand Coordination in Sterically Strained Vanadyl Porphyrins: Synthesis, Structure, and Properties","Inorganic Chemistry","2008","47","","9848","9856","10.1021/ic800714w","","","0.71073","MoKα","","0.072","0.039","","","0.0829","0.0992","","","","","","1.02","","","","has coordinates,has disorder","179095","2020-10-21","18:00:00",""
"4305773","15.1844","0.0004","13.077","0.00029","8.3457","0.0002","90","","90","","90","","1657.18","0.07","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","[Na(N2C10H8)0.5(C2N2H8)]","","- C14 H24 N6 Na2 -","- C14 H24 N6 Na2 -","- C56 H96 N24 Na8 -","4","0.5","","Mark S. Denning; Mark Irwin; Jose M. Goicoechea","Synthesis and Characterization of the 4,4'-Bipyridyl Dianion and Radical Monoanion. A Structural Study","Inorganic Chemistry","2008","47","","6118","6120","10.1021/ic800726p","","","0.71073","MoKα","","0.0569","0.0429","","","0.1166","0.1274","","","","","","1.061","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4305782","10.3214","0.0015","15.484","0.002","16.007","0.002","90","","90","","90","","2558.2","0.6","150","2","150","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C18 H24 Cl F6 N4 O2 P Ru S3 -","- C18 H24 Cl F6 N4 O2 P Ru S3 -","- C72 H96 Cl4 F24 N16 O8 P4 Ru4 S12 -","4","0.5","","Naz Shan; Samuel M. Hawxwell; Harry Adams; Lee Brammer; Jim A. Thomas","Self-Assembly of Electroactive Thiacrown Ruthenium(II) Complexes into Hydrogen-Bonded Chain and Tape Networks","Inorganic Chemistry","2008","47","","11551","11560","10.1021/ic8007359","","","0.71073","MoKα","","0.0924","0.065","","","0.1619","0.179","","","","","","1.123","","","","has coordinates,has disorder","179095","2020-10-21","18:00:00",""
"4305783","15.641","0.003","9.623","0.0016","21.087","0.003","90","","90","","90","","3173.9","0.9","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C20 H28 F12 N4 O2 P2 Ru S4 -","- C20 H28 F12 N4 O2 P2 Ru S4 -","- C80 H112 F48 N16 O8 P8 Ru4 S16 -","4","0.5","","Naz Shan; Samuel M. Hawxwell; Harry Adams; Lee Brammer; Jim A. Thomas","Self-Assembly of Electroactive Thiacrown Ruthenium(II) Complexes into Hydrogen-Bonded Chain and Tape Networks","Inorganic Chemistry","2008","47","","11551","11560","10.1021/ic8007359","","","0.71073","MoKα","","0.0689","0.0541","","","0.1342","0.1442","","","","","","1.028","","","","has coordinates,has disorder","179095","2020-10-21","18:00:00",""
"4305797","16.9892","0.0003","20.6271","0.0004","25.8309","0.0005","90","","90","","90","","9052.1","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Co/Zn-MOF-39","Co/Zn-MOF-39","","- C62 H48 Co N2 O14 Zn2 -","- C62 H48 Co N2 O14 Zn2 -","- C248 H192 Co4 N8 O56 Zn8 -","4","0.5","","Stephen R. Caskey; Adam J. Matzger","Selective Metal Substitution for the Preparation of Heterobimetallic Microporous Coordination Polymers","Inorganic Chemistry","2008","47","","7942","7944","10.1021/ic8007427","","","1.54187","CuKα","","0.0942","0.0747","","","0.2234","0.2517","","","","","","1.154","","","","has coordinates","179095","2020-10-21","18:00:00",""
"4305798","17.0544","0.0003","22.1816","0.0004","24.8632","0.0005","90","","90","","90","","9405.6","0.3","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Ni/Zn-MOF-39","Ni/Zn-MOF-39","","- C62 H48 N2 Ni O14 Zn2 -","- C62 H48 N2 Ni O14 Zn2 -","- C248 H192 N8 Ni4 O56 Zn8 -","4","0.5","","Stephen R. Caskey; Adam J. Matzger","Selective Metal Substitution for the Preparation of Heterobimetallic Microporous Coordination Polymers","Inorganic Chemistry","2008","47","","7942","7944","10.1021/ic8007427","","","1.54187","CuKα","","0.0745","0.063","","","0.1897","0.2047","","","","","","1.031","","","","has coordinates","179095","2020-10-21","18:00:00",""
"4305820","23.5362","0.0007","18.3985","0.0005","8.595","0.0002","90","","90","","90","","3721.9","0.17","193","2","193","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C35 H37 B F4 Fe2 O3 P3 S2 -","- C35 H37 B F4 Fe2 O3 P3 S2 -","- C140 H148 B4 F16 Fe8 O12 P12 S8 -","4","0.5","","Aaron K. Justice; Luca De Gioia; Mark J. Nilges; Thomas B. Rauchfuss; Scott R. Wilson; Giuseppe Zampella","Redox and Structural Properties of Mixed-Valence Models for the Active Site of the [FeFe]-Hydrogenase: Progress and Challenges","Inorganic Chemistry","2008","47","","7405","7414","10.1021/ic8007552","","","0.71073","MoKα","","0.0552","0.038","","","0.0904","0.1003","","","","","","1.083","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4305977","14.323","0.003","4.0042","0.0006","12.576","0.002","90","","90","","90","","721.3","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cl3 Pr3 Ru -","- Cl3 Pr3 Ru -","- Cl12 Pr12 Ru4 -","4","0.5","","Nina Herzmann; Anja-Verena Mudring; Gerd Meyer","Seven-Coordinate Ruthenium Atoms Sequestered in Praseodymium Clusters in the Chloride {RuPr3}Cl3","Inorganic Chemistry","2008","47","","7954","7956","10.1021/ic800907c","","","0.71073","MoKα","","0.0659","0.0455","","","0.1098","0.1158","","","","","","0.953","","","","has coordinates","179097","2020-10-21","18:00:00",""
"4306161","16.276","0.003","11.396","0.002","14.586","0.003","90","","90","","90","","2705.4","0.9","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Diiodo(1,2-bis(dimethylarsino)benzene)indium(III) tetraiodoindate","","- C10 H16 As2 I6 In2 -","- C10 H16 As2 I6 In2 -","- C40 H64 As8 I24 In8 -","4","0.5","","Fei Cheng; Sarah I. Friend; Andrew L. Hector; William Levason; Gillian Reid; Michael Webster; Wenjian Zhang","Preparation, Characterization, and Structural Systematics of Diphosphane and Diarsane Complexes of Indium(III) Halides","Inorganic Chemistry","2008","47","","9691","9700","10.1021/ic801091n","","","0.71073","MoKα","","0.0285","0.0228","","","0.0404","0.0425","","","","","","1.135","","","","has coordinates","179099","2020-10-21","18:00:00",""
"4306163","16.322","0.003","11.2518","0.0015","14.461","0.002","90","","90","","90","","2655.8","0.7","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","diiodo(1,2-bis(dimethylphosphino)benzene)indium(III) tetraiodoindate(III)","","- C10 H16 I6 In2 P2 -","- C10 H16 I6 In2 P2 -","- C40 H64 I24 In8 P8 -","4","0.5","","Fei Cheng; Sarah I. Friend; Andrew L. Hector; William Levason; Gillian Reid; Michael Webster; Wenjian Zhang","Preparation, Characterization, and Structural Systematics of Diphosphane and Diarsane Complexes of Indium(III) Halides","Inorganic Chemistry","2008","47","","9691","9700","10.1021/ic801091n","","","0.71073","MoKα","","0.0275","0.0227","","","0.0439","0.0453","","","","","","1.075","","","","has coordinates","179099","2020-10-21","18:00:00",""
"4306191","22.196","0.004","20.525","0.004","12.165","0.002","90","","90","","90","","5542","1.7","193.15","","193.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C54 H52 Cu2 Mo2 O2 P4 S6 -","- C54 H52 Cu2 Mo2 O2 P4 S6 -","- C216 H208 Cu8 Mo8 O8 P16 S24 -","4","0.5","","Zhen-Hong Wei; Hong-Xi Li; Wen-Hua Zhang; Zhi-Gang Ren; Yong Zhang; Jian-Ping Lang; Brendan F. Abrahams","Construction of Symmetric and Asymmetric Mo/S/Cu Clusters from a Cluster Precursor [Et4N]2[(edt)2Mo2S2(μ-S)2] (edt = Ethanedithiolate)","Inorganic Chemistry","2008","47","","10461","10468","10.1021/ic801100g","","","0.71073","MoKα","","0.071","0.0632","","","0.1387","0.1427","","","","","","1.19","","","","has coordinates,has disorder","179099","2020-10-21","18:00:00",""
"4306299","7.1981","0.0004","17.5149","0.0008","21.214","0.001","90","","90","","90","","2674.5","0.2","100","2","100","2","","","","","","","synthesized","5","P n m a","-P 2ac 2n","62","Potassium 4-Br-phenoxide dioxane","","","- C22 H20 Br3 K3 O5 -","- C22 H20 Br3 K3 O5 -","- C88 H80 Br12 K12 O20 -","4","0.5","","J. Jacob Morris; Bruce C. Noll; Kenneth W. Henderson","High-Connectivity Networks and Hybrid Inorganic Rod Materials Built from Potassium and Rubidium p-Halide-Substituted Aryloxides","Inorganic Chemistry","2008","47","","9583","9591","10.1021/ic801140u","","x-ray","0.71073","MoKα","","0.0347","0.0245","","","0.0517","0.0558","","","","","","1.082","","","","has coordinates,has disorder","179100","2020-10-21","18:00:00",""
"4306480","17.7548","0.001","13.6577","0.0008","16.9173","0.0009","90","","90","","90","","4102.3","0.4","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C26 H51 F9 Mn2 N8 O10 S3 -","- C26 H35.992 F9 Mn2 N8 O10 S3 -","- C104 H143.968 F36 Mn8 N32 O40 S12 -","4","0.5","","Louise A. Berben; Jonas C. Peters","Dimanganese and Diiron Complexes of a Binucleating Cyclam Ligand: Four-Electron, Reversible Oxidation Chemistry at High Potentials","Inorganic Chemistry","2008","47","","11669","11679","10.1021/ic801289x","","","0.71073","MoKα","","0.0961","0.0674","","","0.1705","0.1905","","","","","","1.034","","","","has coordinates,has disorder","179102","2020-10-21","18:00:00",""
"4306481","17.8273","0.0003","13.4119","0.0002","17.0929","0.0003","90","","90","","90","","4086.88","0.12","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C26 H51 F9 Fe2 N8 O10 S3 -","- C25.789 H25.476 F9 Fe2 N8 O10 S3 -","- C103.156 H101.904 F36 Fe8 N32 O40 S12 -","4","0.5","","Louise A. Berben; Jonas C. Peters","Dimanganese and Diiron Complexes of a Binucleating Cyclam Ligand: Four-Electron, Reversible Oxidation Chemistry at High Potentials","Inorganic Chemistry","2008","47","","11669","11679","10.1021/ic801289x","","","1.54178","CuKα","","0.0868","0.0823","","","0.2079","0.2147","","","","","","1.041","","","","has coordinates,has disorder","179102","2020-10-21","18:00:00",""
"4306628","8.5078","0.0008","6.7786","0.0006","21.908","0.0019","90","","90","","90","","1263.5","0.2","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","in paper 11","","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C52 H64 N8 O12 -","4","0.5","","Peter Hofmann; Igor V. Shishkov; Frank Rominger","Synthesis, Molecular Structures, and Reactivity of Mono- and Binuclear Neutral Copper(I) Carbenes","Inorganic Chemistry","2008","47","","11755","11762","10.1021/ic801443y","","","0.71073","MoKα","","0.0427","0.0374","","","0.0962","0.1007","","","","","","1.064","","","","has coordinates","179104","2020-10-21","18:00:00",""
"4306680","30.827","0.002","22.806","0.0015","30.928","0.002","90","","90","","90","","21744","2","193","2","193","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C96 H226 Mo30 N8 O103 P4 -","- C96 H196 Mo30 N8 O103 P4 -","- C384 H784 Mo120 N32 O412 P16 -","4","0.5","","Sayuri Maeda; Takuya Goto; Masayo Takamoto; Kazuo Eda; Sadayuki Himeno; Hiroki Takahashi; Toshitaka Hori","An Approach to the Synthesis of Polyoxometalate Encapsulating Different Kinds of Oxoanions as Heteroions: Bisphosphitopyrophosphatotriacontamolybdate [(HPO3)2(P2O7)Mo30O90]8-","Inorganic Chemistry","2008","47","","11197","11201","10.1021/ic801499y","","","0.71073","MoKα","","0.2111","0.1147","","","0.2305","0.2921","","","","","","1.124","","","","has coordinates","179104","2020-10-21","18:00:00",""
"4306689","10.75","0.003","12.064","0.004","11.646","0.004","90","","90","","90","","1510.3","0.8","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H25 Ta -","- C18 H25 Ta -","- C72 H100 Ta4 -","4","0.5","","Wontae Noh; Gregory S. Girolami","Mono(cycloheptatrienyl) Tantalum Chemistry: Synthesis and Characterization of New Tantalum Halide, Hydride, and Alkyl Species","Inorganic Chemistry","2008","47","","10682","10691","10.1021/ic8015035","","","0.71073","MoKα","","0.0453","0.0314","","","0.0886","0.0926","","","","","","1.02","","","","has coordinates","179104","2020-10-21","18:00:00",""
"4306691","15.463","0.003","11.574","0.002","9.2783","0.0018","90","","90","","90","","1660.5","0.5","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H27 Ta -","- C20 H27 Ta -","- C80 H108 Ta4 -","4","0.5","","Wontae Noh; Gregory S. Girolami","Mono(cycloheptatrienyl) Tantalum Chemistry: Synthesis and Characterization of New Tantalum Halide, Hydride, and Alkyl Species","Inorganic Chemistry","2008","47","","10682","10691","10.1021/ic8015035","","","0.71073","MoKα","","0.0287","0.0213","","","0.0568","0.0588","","","","","","1.174","","","","has coordinates,has disorder","179104","2020-10-21","18:00:00",""
"4306882","16.4811","0.0005","41.0436","0.001","21.3835","0.0007","90","","90","","90","","14464.7","0.7","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C64 H56 Cl0 Fe4 O8 P4 S4 -","- C64 H50 Cl8 Fe4 O8 P4 S4 -","- C512 H400 Cl64 Fe32 O64 P32 S32 -","8","1","","Weiming Gao; Jesper Ekström; Jianhui Liu; Changneng Chen; Lars Eriksson; Linhong Weng; Björn Åkermark; Licheng Sun","Binuclear Iron-Sulfur Complexes with Bidentate Phosphine Ligands as Active Site Models of Fe-Hydrogenase and Their Catalytic Proton Reduction","Inorganic Chemistry","2007","46","","1981","1991","10.1021/ic0610278","","","0.71073","MoKα","","0.468","0.0821","","","0.1714","0.3037","","","","","","0.792","","","","has coordinates","179106","2020-10-21","18:00:00",""
"4306963","16.6006","0.0005","13.1582","0.0004","8.4922","0.0002","90","","90","","90","","1854.99","0.09","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(dimethylbromosilyl)(dimethylchlorosilyl)niobocene hydrid","bis(cyclopentadienyl)(dimethylbromosilyl) (dimethylchlorosilyl)(hydrido) niobium (V)","","- C14 H23 Br Cl Nb Si2 -","- C14 H23 Br0.9526 Cl1.0474 Nb Si2 -","- C56 H92 Br3.8104 Cl4.1896 Nb4 Si8 -","4","0.5","","Konstantin Yu. Dorogov; Muhammed Yousufuddin; Nam-Nhat Ho; Andrei V. Churakov; Lyudmila G. Kuzmina; Arthur J. Schultz; Sax A. Mason; Judith A. K. Howard; Dmitry A. Lemenovskii; Robert Bau; Georgii I. Nikonov","Syntheses and Structures of Asymmetric Bis(silyl) Niobocene Hydrides","Inorganic Chemistry","2007","46","","147","160","10.1021/ic061314b","","","0.71073","MoKα","","0.0228","0.0176","","","0.0404","0.0419","","","","","","1.029","","","","has coordinates,has disorder","179107","2020-10-21","18:00:00",""
"4307089","7.7001","0.0017","6.7769","0.0015","14.851","0.003","90","","90","","90","","775","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H5 Cu N3 O5 -","- C5 H5 Cu N3 O5 -","- C20 H20 Cu4 N12 O20 -","4","0.5","","J. L. Manson; T. Lancaster; J. A. Schlueter; S. J. Blundell; M. L. Brooks; F. L. Pratt; C. L. Nygren; H.-J. Koo; D. Dai; M.-H. Whangbo","Characterization of the Crystal and Magnetic Structures of the Mixed-Anion Coordination Polymer Cu(HCO2)(NO3)(pyz) {pyz = Pyrazine} by X-ray Diffraction, ac Magnetic Susceptibility, dc Magnetization, Muon-Spin Relaxation, and Spin Dimer Analysis","Inorganic Chemistry","2007","46","","213","220","10.1021/ic061590q","","","0.71073","MoKα","","0.0243","0.0218","","","0.0635","0.065","","","","","","1.057","","","","has coordinates","179108","2020-10-21","18:00:00",""
"4307246","15.3251","0.0008","13.9017","0.0007","8.7026","0.0005","90","","90","","90","","1854.04","0.17","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C15 H25 Cl2 N Ru S2 -","- C15 H25 Cl2 N Ru S2 -","- C60 H100 Cl8 N4 Ru4 S8 -","4","0.5","","Elaine Phuay Leng Tay; Seah Ling Kuan; Weng Kee Leong; Lai Yoong Goh","Synthetic and X-ray Structural and Reactivity Studies of Cp*RuIV Complexes Containing Bidentate Dithiocarbonate, Xanthate, Carbonate, and Phosphinate Ligands (Cp* = η5-C5Me5)","Inorganic Chemistry","2007","46","","1440","1450","10.1021/ic061781t","","","0.71073","MoKα","","0.0491","0.0383","","","0.0797","0.0839","","","","","","1.057","","","","has coordinates","179110","2020-10-21","18:00:00",""
"4307286","11.731","0.003","13.281","0.004","17.836","0.005","90","","90","","90","","2778.8","1.3","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H37 B Co N10 O3 -","- C21 H37 B Co N10 O3 -","- C84 H148 B4 Co4 N40 O12 -","4","0.5","","Finith E. Jernigan; Nathan A. Sieracki; Michael T. Taylor; Aaron S. Jenkins; Sharon E. Engel; Brittany W. Rowe; Fernando A. Jové; Glenn P. A. Yap; Elizabeth T. Papish; Gregory M. Ferrence","Sterically Bulky Tris(triazolyl)borate Ligands as Water-Soluble Analogues of Tris(pyrazolyl)borate","Inorganic Chemistry","2007","46","","360","362","10.1021/ic061828a","","","0.71073","MoKα","","0.0475","0.0381","","","0.0974","0.1024","","","","","","1.046","","","","has coordinates","179110","2020-10-21","18:00:00",""
"4307410","11.3576","0.0007","9.2364","0.0005","24.7717","0.0014","90","","90","","90","","2598.6","0.3","123","2","123","2","","","","","","","","7","P n m a","-P 2ac 2n","62","C3","C3","","- C42 H68 Cl4 Fe2 N14 O8 Zn2 -","- C42 H66 Cl4 Fe2 N10.024 O8 Zn2 -","- C84 H132 Cl8 Fe4 N20.048 O16 Zn4 -","2","0.25","","Gilles Gasser; Matthew J. Belousoff; Alan M. Bond; Zuzanna Kosowski; Leone Spiccia","Recognition of Thymine and Related Nucleosides by a ZnII-Cyclen Complex Bearing a Ferrocenyl Pendant","Inorganic Chemistry","2007","46","","1665","1674","10.1021/ic061902p","","","0.71073","MoKα","","0.0963","0.0801","","","0.1917","0.1996","","","","","","1.216","","","","has coordinates,has disorder","179112","2020-10-21","18:00:00",""
"4307421","13.5338","0.0003","7.7333","0.0002","21.7974","0.0006","90","","90","","90","","2281.34","0.1","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H21 Au Cl5 N3 -","- C20 H21 Au Cl5 N3 -","- C80 H84 Au4 Cl20 N12 -","4","0.5","","Lingyun Cao; Michael C. Jennings; Richard J. Puddephatt","Amine-Amide Equilibrium in Gold(III) Complexes and a Gold(III)-Gold(I) Aurophilic Bond","Inorganic Chemistry","2007","46","","1361","1368","10.1021/ic061911y","","","0.71073","MoKα","","0.0583","0.0421","","","0.0909","0.0962","","","","","","1.076","","","","has coordinates,has disorder","179112","2020-10-21","18:00:00",""
"4307563","6.315","0.002","7.636","0.002","10.921","0.004","90","","90","","90","","526.6","0.3","93","2","93","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F5 H8 N2 V -","- F5 H8 N2 V -","- F20 H32 N8 V4 -","4","0.5","","David W. Aldous; Nicholas F. Stephens; Philip Lightfoot","Hydrothermal Vanadium Fluoride Chemistry: Four New V3+ Chain Structures","Inorganic Chemistry","2007","46","","3996","4001","10.1021/ic062061p","","","0.7107","MoKα","","0.0533","0.0505","","","0.1384","0.1398","","","","","","1.277","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307661","7.6028","0.0005","10.3658","0.0009","17.8759","0.0012","90","","90","","90","","1408.78","0.18","","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H16 Mo3 N2 O11 -","- C6 H14 Mo3 N2 O11 -","- C24 H56 Mo12 N8 O44 -","4","0.5","","Violaine Coué; Rémi Dessapt; Martine Bujoli-Doeuff; Michel Evain; Stéphane Jobic","Synthesis, Characterization, and Photochromic Properties of Hybrid Organic-Inorganic Materials Based on Molybdate, DABCO, and Piperazine","Inorganic Chemistry","2007","46","","2824","2835","10.1021/ic0621502","","","0.71069","MoKα","","0.057","0.0439","","","0.1244","0.1292","","","","2.03","2.03","1.94","","","","has coordinates","179114","2020-10-21","18:00:00",""
"4307684","16.411","0.003","10.172","0.002","14.171","0.003","90","","90","","90","","2365.6","0.8","180","2","180","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H22 Mo N5 O6 Re -","- C16.97 H21.94 Mo N5 O6 Re -","- C67.88 H87.76 Mo4 N20 O24 Re4 -","4","0.5","","Laura Ion; Dolores Morales; Sonia Nieto; Julio Pérez; Lucía Riera; Víctor Riera; Daniel Miguel; Richard A. Kowenicki; Mary McPartlin","Biimidazole and Bis(amide)bipyridine Molybdenum Carbonyl Complexes as Anions Receptors","Inorganic Chemistry","2007","46","","2846","2853","10.1021/ic0621650","","","0.71073","MoKα","","0.0797","0.0502","","","0.0966","0.1067","","","","","","1.142","","","","has coordinates","179114","2020-10-21","18:00:00",""
"4307772","7.5978","0.0004","9.9695","0.0005","17.5058","0.0009","90","","90","","90","","1326","0.12","90","2","90","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H6.5 N4.5 O2 Zn -","- C3 H3 N4.5 O2 Zn -","- C24 H24 N36 O16 Zn8 -","8","1","","Wayne Ouellette; Bruce S. Hudson; Jon Zubieta","Hydrothermal and Structural Chemistry of the Zinc(II)- and Cadmium(II)-1,2,4-Triazolate Systems","Inorganic Chemistry","2007","46","","4887","4904","10.1021/ic062269a","","x-ray","0.71073","MoKα","","0.0303","0.0283","","","0.0694","0.0704","","","","","","1.098","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4307773","7.3183","0.0004","6.8119","0.0004","13.7846","0.0007","90","","90","","90","","687.18","0.07","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C H1.5 N1.5 O2.5 S0.5 Zn -","- C H1.5 N1.5 O2.5 S0.5 Zn -","- C8 H12 N12 O20 S4 Zn8 -","8","1","","Wayne Ouellette; Bruce S. Hudson; Jon Zubieta","Hydrothermal and Structural Chemistry of the Zinc(II)- and Cadmium(II)-1,2,4-Triazolate Systems","Inorganic Chemistry","2007","46","","4887","4904","10.1021/ic062269a","","x-ray","0.71073","MoKα","","0.0254","0.025","","","0.0624","0.0627","","","","","","1.263","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307775","7.5186","0.0004","11.7796","0.0006","12.3158","0.0006","90","","90","","90","","1090.76","0.1","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C2 H3 Cd Cl N3 O0.5 -","- C2 H3 Cd Cl N3 O0.5 -","- C16 H24 Cd8 Cl8 N24 O4 -","8","1","","Wayne Ouellette; Bruce S. Hudson; Jon Zubieta","Hydrothermal and Structural Chemistry of the Zinc(II)- and Cadmium(II)-1,2,4-Triazolate Systems","Inorganic Chemistry","2007","46","","4887","4904","10.1021/ic062269a","","x-ray","0.71073","MoKα","","0.0188","0.0186","","","0.0426","0.0427","","","","","","1.368","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307777","7.8569","0.0005","10.3906","0.0006","18.578","0.0011","90","","90","","90","","1516.67","0.16","90","2","90","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H3 Cd I0.5 N4.5 -","- C3 H3 Cd I0.5 N4.5 -","- C24 H24 Cd8 I4 N36 -","8","1","","Wayne Ouellette; Bruce S. Hudson; Jon Zubieta","Hydrothermal and Structural Chemistry of the Zinc(II)- and Cadmium(II)-1,2,4-Triazolate Systems","Inorganic Chemistry","2007","46","","4887","4904","10.1021/ic062269a","","x-ray","0.71073","MoKα","","0.0352","0.0295","","","0.0589","0.0611","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307915","14.15","0.003","13.758","0.003","10.681","0.002","90","","90","","90","","2079.3","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H33 B10 Co -","- C16 H33 B9 Co -","- C64 H132 B36 Co4 -","4","0.5","","Liang Deng; Hoi-Shan Chan; Zuowei Xie","Synthesis, Structure, Reactivity, and Thermal Isomerization of Boron-Substituted 13-Vertex Cobaltacarboranes (η5-Cp)Co(η6-R2C2B10Me8H2) (R = H, Et)","Inorganic Chemistry","2007","46","","2716","2724","10.1021/ic062423t","","","0.71073","MoKα","","0.0997","0.0838","","","0.1583","0.1648","","","","","","1.264","","","","has coordinates","179117","2020-10-21","18:00:00",""
"4307918","17.5088","0.001","12.5157","0.0007","10.0731","0.0005","90","","90","","90","","2207.4","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H35 B10 Co -","- C16 H35 B10 Co -","- C64 H140 B40 Co4 -","4","0.5","","Liang Deng; Hoi-Shan Chan; Zuowei Xie","Synthesis, Structure, Reactivity, and Thermal Isomerization of Boron-Substituted 13-Vertex Cobaltacarboranes (η5-Cp)Co(η6-R2C2B10Me8H2) (R = H, Et)","Inorganic Chemistry","2007","46","","2716","2724","10.1021/ic062423t","","","0.71073","MoKα","","0.0495","0.0462","","","0.1344","0.1382","","","","","","1.134","","","","has coordinates","179117","2020-10-21","18:00:00",""
"4308093","7.4832","0.0015","10.528","0.002","8.8525","0.0018","90","","90","","90","","697.4","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al2 B3 H O8 -","- Al2 B3 H O8 -","- Al8 B12 H4 O32 -","4","0.5","","Tao Yang; Jing Ju; Guobao Li; Fuhui Liao; Xiaodong Zou; Feng Deng; Lei Chen; Yingxia Wang; Jianhua Lin","Square-Pyramidal/Triangular Framework Oxide: Synthesis and Structure of PKU-6","Inorganic Chemistry","2007","46","","4772","4774","10.1021/ic070073k","","","0.71073","MoKα","","0.0348","0.0311","","","0.1342","0.1373","","","","","","1.227","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308097","10.07","0.003","4.234","0.001","10.866","0.003","90","","90","","90","","463.3","0.2","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Ba Al2 Si2","","","- Al2 Ba Si2 -","- Al2 Ba Si2 -","- Al8 Ba4 Si8 -","4","0.5","","Cathie L. Condron; Håkon Hope; Paula M. B. Piccoli; Arthur J. Schultz; Susan M. Kauzlarich","Synthesis, Structure, and Properties of BaAl2Si2","Inorganic Chemistry","2007","46","","4523","4529","10.1021/ic070078h","","neutron","","neutronwhite-beam","","0.0597","0.0529","","","0.112","0.1155","","","","","","1.033","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4308098","10.0807","0.0005","4.2274","0.0002","10.8742","0.0005","90","","90","","90","","463.41","0.04","90","2","90","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Ba Al2 Si2","","","- Al2 Ba Si2 -","- Al2 Ba Si2 -","- Al8 Ba4 Si8 -","4","0.5","","Cathie L. Condron; Håkon Hope; Paula M. B. Piccoli; Arthur J. Schultz; Susan M. Kauzlarich","Synthesis, Structure, and Properties of BaAl2Si2","Inorganic Chemistry","2007","46","","4523","4529","10.1021/ic070078h","","","0.71073","MoKα","","0.0143","0.0137","","","0.0373","0.0382","","","","","","1.055","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4308099","10.0736","0.0009","4.2255","0.0004","10.8653","0.0009","90","","90","","90","","462.49","0.07","","","10","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Ba Al2 Si2","","","- Al2 Ba Si2 -","- Al2 Ba Si2 -","- Al8 Ba4 Si8 -","4","0.5","","Cathie L. Condron; Håkon Hope; Paula M. B. Piccoli; Arthur J. Schultz; Susan M. Kauzlarich","Synthesis, Structure, and Properties of BaAl2Si2","Inorganic Chemistry","2007","46","","4523","4529","10.1021/ic070078h","","","0.71073","MoKα","","0.0145","0.0126","","","0.0255","0.0267","","","","","","1.169","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4308150","21.744","0.004","5.6744","0.001","4.7927","0.0009","90","","90","","90","","591.34","0.19","110","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H12 Co2 O8 P2 -","- C6 H4 Co O4 P -","- C24 H16 Co4 O16 P4 -","4","0.5","","Sanjit Konar; Jerzy Zoń; Andrey V. Prosvirin; Kim R. Dunbar; Abraham Clearfield","Synthesis and Characterization of Four Metal-Organophosphonates with One-, Two-, and Three-Dimensional Structures","Inorganic Chemistry","2007","46","","5229","5236","10.1021/ic070132u","","","0.71073","MoKα","","0.0816","0.0712","","","0.1909","0.2107","","","","","","1.253","","","","has coordinates","179119","2020-10-21","18:00:00",""
"4308151","8.755","0.0018","4.712","0.0009","12.368","0.003","90","","90","","90","","510.22","0.19","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au2 Ba In2 -","- Au2 Ba In2 -","- Au8 Ba4 In8 -","4","0.5","","Jing-Cao Dai; John D. Corbett","Transformation of AeIn4 Indides (Ae = Ba, Sr) into an AeAu2In2 Structure Type Through Gold Substitution","Inorganic Chemistry","2007","46","","4592","4598","10.1021/ic070142v","","","0.71073","MoKα","","0.048","0.0442","","","0.1157","0.118","","","","","","1.001","","","","has coordinates","179119","2020-10-21","18:00:00",""
"4308152","8.532","0.0001","4.5996","0.0001","12.2821","0.0002","90","","90","","90","","481.996","0.014","273","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au2 In2 Sr -","- Au2 In2 Sr -","- Au8 In8 Sr4 -","4","0.5","","Jing-Cao Dai; John D. Corbett","Transformation of AeIn4 Indides (Ae = Ba, Sr) into an AeAu2In2 Structure Type Through Gold Substitution","Inorganic Chemistry","2007","46","","4592","4598","10.1021/ic070142v","","","0.71073","MoKα","","0.0447","0.0387","","","0.0942","0.0966","","","","","","1.001","","","","has coordinates","179119","2020-10-21","18:00:00",""
"4308176","15.7887","0.0002","21.4997","0.0004","9.5541","0.0002","90","","90","","90","","3243.16","0.1","173","2","173","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","","","","- C32 H48 I In N2 -","- C32 H48 I In N2 -","- C128 H192 I4 In4 N8 -","4","0.5","","Michael S. Hill; Peter B. Hitchcock; Ruti Pongtavornpinyo","Oxidative Addition Reactions of Alkyl Halides with the Group 13 Carbene Analogue [In{N(Dipp)C(Me)}2CH] (Dipp = 2,6-iPr2C6H3)","Inorganic Chemistry","2007","46","","3783","3788","10.1021/ic070183r","","x-ray","0.71073","MoKα","","0.0264","0.022","","","0.0501","0.052","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308178","15.6859","0.0003","21.4625","0.0003","9.545","0.0002","90","","90","","90","","3213.41","0.1","173","2","173","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","","","","- C32 H48 Br In N2 -","- C32 H48 Br In N2 -","- C128 H192 Br4 In4 N8 -","4","0.5","","Michael S. Hill; Peter B. Hitchcock; Ruti Pongtavornpinyo","Oxidative Addition Reactions of Alkyl Halides with the Group 13 Carbene Analogue [In{N(Dipp)C(Me)}2CH] (Dipp = 2,6-iPr2C6H3)","Inorganic Chemistry","2007","46","","3783","3788","10.1021/ic070183r","","x-ray","0.71073","MoKα","","0.036","0.0251","","","0.0527","0.0566","","","","","","1.032","","","","has coordinates","179119","2020-10-21","18:00:00",""
"4308254","21.848","0.002","24.513","0.002","17.335","0.001","90","","90","","90","","9283.9","1.3","293","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C56 H58 Cl8 Fe14 N21 Na0 O25 -","- C56 H58 Cl8 Fe14 N21 O25 -","- C224 H232 Cl32 Fe56 N84 O100 -","4","0.5","","Rachel Shaw; Rebecca H. Laye; Leigh F. Jones; David M. Low; Caytie Talbot-Eeckelaers; Qiang Wei; Constantinos J. Milios; Simon Teat; Madeleine Helliwell; James Raftery; Marco Evangelisti; Marco Affronte; David Collison; Euan K. Brechin; Eric J. L. McInnes","1,2,3-Triazolate-Bridged Tetradecametallic Transition Metal Clusters [M14(L)6O6(OMe)18X6] (M = FeIII, CrIII and VIII/IV) and Related Compounds: Ground-State Spins Ranging from S=0 to S=25 and Spin-Enhanced Magnetocaloric Effect","Inorganic Chemistry","2007","46","","4968","4978","10.1021/ic070320k","","","0.71073","MoKα","","0.1658","0.073","","","0.2084","0.2426","","","","","","0.949","","","","has coordinates","194037","2020-10-21","18:00:00",""
"4308295","11.5579","0.0005","18.6002","0.0006","6.7094","0.0003","90","","90","","90","","1442.38","0.1","183","2","183","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H18 Mg O2 -","- C16 H18 Mg O2 -","- C64 H72 Mg4 O8 -","4","0.5","","Martin Gärtner; Reinald Fischer; Jens Langer; Helmar Görls; Dirk Walther; Matthias Westerhausen","Syntheses and Structures of Alkaline Earth Metal Bis(diphenylamides)","Inorganic Chemistry","2007","46","","5118","5124","10.1021/ic700459d","","","0.71073","MoKα","","0.0603","0.0382","","","0.0919","0.1015","","","","","","1.024","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4308539","9.2725","0.0006","13.3851","0.0009","14.6863","0.0009","90","","90","","90","","1822.8","0.2","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H26 N6 O S4 Sb Sm -","- C6 H16 N6 O S4 Sb Sm -","- C24 H64 N24 O4 S16 Sb4 Sm4 -","4","0.5","","Ding-xian Jia; Qin-Yu Zhu; Jie Dai; Wen Lu; Wen-Juan Guo","The First Example of Solvothermally Synthesized Thioantimonates(V) with Ethylenediamine Coordinated Lanthanide(III): [Sm(en)4]SbS4.0.5en and [Sm(en)3(H2O)(μ-SbS4)]\ιnfty","Inorganic Chemistry","2005","44","","819","821","10.1021/ic0484957","","","0.7107","MoKα","","0.0221","0.0214","","","0.0499","0.0503","","","","","","1.149","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4308586","13.908","0.003","9.288","0.001","8.738","0.001","90","","90","","90","","1128.8","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Sodium-tetracyanoborate","","- C8 H8 B N4 Na O -","- C8 H8 B N4 Na O -","- C32 H32 B4 N16 Na4 O4 -","4","0.5","","Torsten Küppers; Eduard Bernhardt; Helge Willner; Henning W. Rohm; Martin Köckerling","Tetracyanoborate Salts M[B(CN)4] with M = Singly Charged Cations: Properties and Structures","Inorganic Chemistry","2005","44","","1015","1022","10.1021/ic048780q","","","0.71073","MoKα","","0.07","0.0496","","","0.1424","0.1584","","","","","","1.047","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308588","8.831","0.001","9.366","0.002","15.061","0.003","90","","90","","90","","1245.7","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Ammonium-tetracyanoborate","","- C8 H12 B N5 O -","- C8 H12 B N5 O -","- C32 H48 B4 N20 O4 -","4","0.5","","Torsten Küppers; Eduard Bernhardt; Helge Willner; Henning W. Rohm; Martin Köckerling","Tetracyanoborate Salts M[B(CN)4] with M = Singly Charged Cations: Properties and Structures","Inorganic Chemistry","2005","44","","1015","1022","10.1021/ic048780q","","","0.71073","MoKα","","0.0876","0.0692","","","0.1932","0.2179","","","","","","1.079","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308955","7.8054","0.0001","14.1138","0.0002","11.2885","0.0002","90","","90","","90","","1243.58","0.03","120","2","120","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Zinc clodronate","","","- C H11 Cl2 Na O11 P2 Zn -","- C H11 Cl2 Na O11 P2 Zn -","- C4 H44 Cl8 Na4 O44 P8 Zn4 -","4","0.5","","Mervi Kontturi; Elina Laurila; Riikka Mattsson; Sirpa Peräniemi; Jouko J. Vepsäläinen; Markku Ahlgrén","Structures of Bisphosphonate Metal Complexes: Zinc and Cadmium Complexes of Clodronate and Its Partial Ester Derivatives","Inorganic Chemistry","2005","44","","2400","2406","10.1021/ic048329z","","","0.71073","MoKα","","0.0466","0.0435","","","0.0939","0.0951","","","","","","1.194","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308974","12.6517","0.0015","4.2683","0.0005","13.5643","0.0014","90","","90","","90","","732.49","0.14","140","2","140","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu3 In P3 -","- Eu3 In P3 -","- Eu12 In4 P12 -","4","0.5","","Jiong Jiang; Amy C. Payne; Marilyn M. Olmstead; Han-oh Lee; Peter Klavins; Zachary Fisk; Susan M. Kauzlarich; Raphaël P. Hermann; Fernande Grandjean; Gary J. Long","Complex Magnetic Ordering in Eu3InP3: A New Rare Earth Metal Zintl Compound","Inorganic Chemistry","2005","44","","2189","2197","10.1021/ic048507o","","","0.71073","MoKα","","0.0404","0.037","","","0.0946","0.0971","","","","","","1.051","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4309153","15.946","0.003","14.498","0.003","8.2646","0.0017","90","","90","","90","","1910.7","0.7","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Mn Sb2 Sr2 -","- Mn Sb2 Sr2 -","- Mn12 Sb24 Sr24 -","12","1.5","","Seon-Mi Park; Sung-Jin Kim; Mercouri G. Kanatzidis","Sr2MnSb2: A New Ternary Transition Metal Zintl Phase","Inorganic Chemistry","2005","44","","4979","4982","10.1021/ic048252e","","","0.71073","MoKα","","0.0422","0.029","","","0.0568","0.0595","","","","","","1.053","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309184","15.583","0.0002","18.425","0.0003","22.802","0.0005","90","","90","","90","","6546.8","0.2","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C73 H98 N O4 V -","- C73 H67.2 N O4 V -","- C292 H268.8 N4 O16 V4 -","4","0.5","","Stanislav Groysman; Israel Goldberg; Zeev Goldschmidt; Moshe Kol","Vanadium(III) and Vanadium(V) Amine Tris(Phenolate) Complexes","Inorganic Chemistry","2005","44","","5073","5080","10.1021/ic050084i","","","0.71073","MoKα","","0.1022","0.0781","","","0.2154","0.2342","","","","","","1.017","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309231","12.0621","0.0008","25.6661","0.0019","10.9647","0.001","90","","90","","90","","3394.5","0.5","200","3","200","3","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C36 H49 I Te -","- C36 H49 I Te -","- C144 H196 I4 Te4 -","4","0.5","","Thomas M. Klapötke; Burkhard Krumm; Heinrich Nöth; Juan Carlos Gálvez-Ruiz; Kurt Polborn; Ingo Schwab; Max Suter","Kinetic and Donor Stabilization of Organotellurenyl Iodides and Azides","Inorganic Chemistry","2005","44","","5254","5265","10.1021/ic048219s","","","0.71073","MoKα","","0.0741","0.0448","","","0.0984","0.107","","","","","","0.909","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309241","8.5634","0.0013","9.9415","0.0015","13.102","0.002","90","","90","","90","","1115.4","0.3","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H8 Cr I2 N -","- C7 H8 Cr I2 N -","- C28 H32 Cr4 I8 N4 -","4","0.5","","Victor Wee Lin Ng; Seah Ling Kuan; Weng Kee Leong; Lip Lin Koh; Geok Kheng Tan; Lai Yoong Goh; Richard D. Webster","Heterocyclic Thionates as a New Class of Bridging Ligands in Oxo-Centered Triangular Cyclopentadienylchromium(III) Complexes","Inorganic Chemistry","2005","44","","5229","5240","10.1021/ic048287e","","","0.71073","MoKα","","0.0264","0.0244","","","0.0579","0.059","","","","","","1.104","","","","has coordinates,has disorder","179130","2020-10-21","18:00:00",""
"4309352","22.8454","0.0016","10.2167","0.0007","15.6939","0.0011","90","","90","","90","","3663","0.4","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","DippNAsCl Dimer","","","- C36 H46 As2 Cl2 N2 -","- C36 H46 As2 Cl2 N2 -","- C144 H184 As8 Cl8 N8 -","4","0.5","","Neil Burford; Jeff C. Landry; Michael J. Ferguson; Robert McDonald","Synthesis of cyclo-2,4,6-Triarsa-1,3,5-triazanes from cyclo-2,4-Diarsa-1,3-diazanes Demonstrating the General Influence of Substituent Steric Strain on the Relative Stability of Pnictazane Oligomers","Inorganic Chemistry","2005","44","","5897","5902","10.1021/ic050532m","","x-ray","0.71073","MoKα","","0.0337","0.0248","","","0.0608","0.0652","","","","","","1.053","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309638","8.762","0.0007","28.368","0.003","8.7638","0.0007","90","","90","","90","","2178.3","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H9 N2 O4 P Zn -","- C9 H9 N2 O4 P Zn -","- C72 H72 N16 O32 P8 Zn8 -","8","1","","Jian Fan; Brian E. Hanson","Novel Zinc Phosphate Topologies Defined by Organic Ligands","Inorganic Chemistry","2005","44","","6998","7008","10.1021/ic050314t","","x-ray","0.71073","MoKα","","0.0662","0.0608","","","0.1117","0.1146","","","","","","1.287","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309792","18.799","0.004","14.606","0.003","12.791","0.003","90","","90","","90","","3512.1","1.3","200","2","200","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C28 H41 B Cl2 N7 O S3 Ta -","- C28 H41 B Cl2 N7 O S3 Ta -","- C112 H164 B4 Cl8 N28 O4 S12 Ta4 -","4","0.5","","Anthony F. Hill; A. David Rae; Matthew K. Smith","Niobium and Tantalum Tris(methimazolyl)borate Complexes [M(NC6H3iPr2-2,6)Cl2{HB(mt)3}] (M = Nb, Ta; mt = Methimazolyl)","Inorganic Chemistry","2005","44","","7316","7318","10.1021/ic051218v","","","0.71073","MoKα","","0.092","0.039","","","0.036","0.036","","","","","","1.5","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309796","15.9205","0.0009","13.5795","0.0008","8.4035","0.0005","90","","90","","90","","1816.77","0.18","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","[MeB(3-(CF3)Pz)3]Tl","","","- C13 H9 B F9 N6 Tl -","- C13 H9 B F9 N6 Tl -","- C52 H36 B4 F36 N24 Tl4 -","4","0.5","","H. V. Rasika Dias; Xiaoyu Wang; Himashinie V. K. Diyabalanage","Fluorinated Tris(pyrazolyl)borate Ligands without the Problematic Hydride Moiety: Isolation of Copper(I) Ethylene and Copper(I)-Tin(II) Complexes Using [MeB(3-(CF3)Pz)3]-","Inorganic Chemistry","2005","44","","7322","7324","10.1021/ic0513235","","","0.71073","MoKα","","0.0161","0.0157","","","0.0413","0.0415","","","","","","1.108","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309838","15.412","0.003","23.799","0.005","13.06","0.003","90","","90","","90","","4790.3","1.8","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Fe2O(O2CCH2C10H7)2Tp2","","","- C46 H44 B2 Fe2 N14 O5 -","- C46 H44 B2 Fe2 N14 O5 -","- C184 H176 B8 Fe8 N56 O20 -","4","0.5","","Laura B. Picraux; Amanda L. Smeigh; Dong Guo; James K. McCusker","Intramolecular Energy Transfer Involving Heisenberg Spin-Coupled Dinuclear Iron-Oxo Complexes","Inorganic Chemistry","2005","44","","7846","7859","10.1021/ic0506761","","","0.71073","MoKα","","0.0739","0.0395","","","0.0734","0.0836","","","","","","0.941","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309992","22.2663","0.0002","33.2258","0.0002","15.2499","0.0001","90","","90","","90","","11282.1","0.14","153","2","153","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C18.5 H31.5 F12 N2.5 O P2 Pt S3 -","- C18.5 H31.5 F12 N2.5 O P2 Pt S3 -","- C296 H504 F192 N40 O16 P32 Pt16 S48 -","16","2","","John W. Sibert; Philip B. Forshee; Vincent Lynch","Wurster's Thiacrown Ethers: Synthesis, Properties, and Pt(II)-Coordination Chemistry","Inorganic Chemistry","2005","44","","8602","8609","10.1021/ic051125d","","","0.71073","MoKα","","0.0738","0.0472","","","0.1132","0.1203","","","","","","1.398","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310126","9.2634","0.0015","13.418","0.002","14.757","0.002","90","","90","","90","","1834.2","0.5","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H26 N6 Nd O S4 Sb -","- C6 H16 N6 Nd O S4 Sb -","- C24 H64 N24 Nd4 O4 S16 Sb4 -","4","0.5","","Dingxian Jia; Qianxin Zhao; Yong Zhang; Jie Dai; Jinglin Zuo","Solvothermal Syntheses of [Ln(en)3(H2O)x(μ3-x-SbS4)] (Ln = La,x= 0; Ln = Nd,x= 1) and [Ln(en)4]SbS4.0.5en (Ln = Eu, Dy, Yb): A Systematic Study on the Formation and Crystal Structures of New Lanthanide Thioantimonates(V)","Inorganic Chemistry","2005","44","","8861","8867","10.1021/ic051402g","","","0.71073","MoKα","","0.0243","0.0241","","","0.0837","0.0838","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310160","10.8881","0.0008","19.3511","0.0014","9.9524","0.0007","90","","90","","90","","2096.9","0.3","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H16 As2 Cl2 S4 -","- C16 H16 As2 Cl2 S4 -","- C64 H64 As8 Cl8 S16 -","4","0.5","","W. Jake Vickaryous; Elisabeth Rather Healey; Orion B. Berryman; Darren W. Johnson","Synthesis and Characterization of Two Isomeric, Self-Assembled Arsenic-Thiolate Macrocycles","Inorganic Chemistry","2005","44","","9247","9252","10.1021/ic050954w","","","0.71073","MoKα","","0.082","0.0629","","","0.1582","0.169","","","","","","1.166","","","","has coordinates,has disorder","179140","2020-10-21","18:00:00",""
"4310273","11.2816","0.0007","19.3224","0.0011","6.1554","0.0004","90","","90","","90","","1341.8","0.14","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H8 Cu N5 S -","- C13 H8 Cu N5 S -","- C52 H32 Cu4 N20 S4 -","4","0.5","","Ping Lin; Richard A. Henderson; Ross W. Harrington; William Clegg; Chuan-De Wu; Xin-Tao Wu","New 1- and 2-Dimensional Polymeric Structures of Cyanopyridine Complexes of AgI and CuI","Inorganic Chemistry","2004","43","","181","188","10.1021/ic030254w","","","0.71073","MoKα","","0.0271","0.0228","","","0.0596","0.0622","","","","","","1.075","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310623","22.9779","0.0013","18.8198","0.0009","8.2504","0.0004","90","","90","","90","","3567.8","0.3","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H34 Cl2 Fe2 N8 O -","- C39 H32 Cl2 Fe2 N8 O -","- C156 H128 Cl8 Fe8 N32 O4 -","4","0.5","","Jacqueline M. Veauthier; Won-Seob Cho; Vincent M. Lynch; Jonathan L. Sessler","Calix[4]pyrrole Schiff Base Macrocycles. Novel Binucleating Ligands for μ-Oxo Iron Complexes","Inorganic Chemistry","2004","43","","1220","1228","10.1021/ic0352001","","","0.71073","MoKα","","0.1318","0.0694","","","0.1295","0.138","","","","","","1.834","","","","has coordinates,has disorder","179145","2020-10-21","18:00:00",""
"4310630","14.0337","0.001","11.9862","0.0008","10.4162","0.0007","90","","90","","90","","1752.1","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25.33 H22.67 Cu1.33 N4 O2.67 -","- C25.3333 H22.6667 Cu1.33333 N4 O2.66667 -","- C76 H68 Cu4 N12 O8 -","3","0.375","","Sara R. Halper; Mitchell R. Malachowski; Heather M. Delaney; Seth M. Cohen","Heteroleptic Copper Dipyrromethene Complexes: Synthesis, Structure, and Coordination Polymers","Inorganic Chemistry","2004","43","","1242","1249","10.1021/ic0352295","","","0.71073","MoKα","","0.0293","0.0268","","","0.0778","0.0787","","","","","","1.112","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310700","10.9763","0.0012","27.265","0.003","13.88","0.0015","90","","90","","90","","4153.9","0.8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H56 Ge9 K2 N6 O8 -","- C18 H42 Ge9 K2 N8 O4 -","- C72 H168 Ge36 K8 N32 O16 -","4","0.5","","Craig Downie; Jiang-Gao Mao; Hiten Parmar; Arnold M. Guloy","The Role of Sequestering Agents in the Formation and Structure of Germanium Anion Cluster Polymers","Inorganic Chemistry","2004","43","","1992","1997","10.1021/ic034704w","","","0.71073","MoKα","","0.1077","0.0621","","","0.1627","0.2026","","","","","","1.161","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310702","15.0177","0.0017","6.2979","0.0007","7.8712","0.0005","90","","90","","90","","744.46","0.13","140","2","140","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H8 Cl N3 -","- C6 H8 Cl N3 -","- C24 H32 Cl4 N12 -","4","0.5","","Dongbin Zhao; Zhaofu Fei; Rosario Scopelliti; Paul J. Dyson","Synthesis and Characterization of Ionic Liquids Incorporating the Nitrile Functionality","Inorganic Chemistry","2004","43","","2197","2205","10.1021/ic034801p","","","0.71073","MoKα","","0.0328","0.0273","","","0.0724","0.0753","","","","","","1.084","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310872","12.2308","0.001","10.5483","0.001","10.302","0.001","90","","90","","90","","1329.1","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H9 Mn Ni O3 S2 -","- C10 H9 Mn Ni O3 S2 -","- C40 H36 Mn4 Ni4 O12 S8 -","4","0.5","","Richard D. Adams; Shaobin Miao; Mark D. Smith; Horatio Farach; Charles Edwin Webster; Josiah Manson; Michael B. Hall","Nickel-Manganese Sulfido Carbonyl Cluster Complexes. Synthesis, Structure, and Properties of the Unusual Paramagnetic Complexes Cp2Ni2Mn(CO)3(μ3-E)2, E = S, Se","Inorganic Chemistry","2004","43","","2515","2525","10.1021/ic0354419","","","0.71073","MoKα","","0.0395","0.0359","","","0.082","0.084","","","","","","1.063","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310875","9.9255","0.0008","22.137","0.002","7.2316","0.0006","90","","90","","90","","1588.9","0.2","293","2","293","2","","","","","","","NiO+H2SO4+Pip+H2O+EG","7","P n m a","-P 2ac 2n","62","Layered NiSo4 with PIP","","","- C4 H16 F2 N2 Ni3 O14 S3 -","- C4 H16 F2 N2 Ni3 O14 S3 -","- C16 H64 F8 N8 Ni12 O56 S12 -","4","0.5","","J. N. Behera; K. V. Gopalkrishnan; C. N. R. Rao","Synthesis, Structure, and Magnetic Properties of Amine-Templated Open-Framework Nickel(II) Sulfates","Inorganic Chemistry","2004","43","","2636","2642","10.1021/ic035488u","","","0.71073","MoKα","","0.0472","0.0342","","0.0841","0.0778","","","","1.09","1.14","1.14","","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4311216","29.311","0.004","17.068","0.002","14.0209","0.0019","90","","90","","90","","7014.4","1.6","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","[Fe(III)OMTPP(t-BuNC)2]ClO4","bis{tert-butylisocyanide}octamethyltetraphenylporphyrinato Iron(III) perchloride","","- C80 H99 Cl3 Fe N6 O4 -","- C80 H99 Cl3 Fe N6 O4 -","- C320 H396 Cl12 Fe4 N24 O16 -","4","0.5","","Liliya A. Yatsunyk; F. Ann Walker","NMR and EPR Spectroscopic and Structural Studies of Low-Spin, (dxz,dyz)4(dxy)1 Ground State Fe(III) Bis-tert-Butylisocyanide Complexes of Dodecasubstituted Porphyrins","Inorganic Chemistry","2004","43","","4341","4352","10.1021/ic035242p","","","0.71073","MoKα","","0.1413","0.0637","","","0.1504","0.2041","","","","","","1.061","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4311311","21.3716","0.001","16.5989","0.0008","22.881","0.0011","90","","90","","90","","8116.9","0.7","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H55 Cl3 Fe3 O2 Se4 Sn -","- C34 H46.5 Cl3 Fe3 O2 Se4 Sn -","- C272 H372 Cl24 Fe24 O16 Se32 Sn8 -","8","1","","Christian Zimmermann; Christopher E. Anson; Amanda L. Eckermann; Markus Wunder; Gerda Fischer; Ilka Keilhauer; Erik Herrling; Bernd Pilawa; Oliver Hampe; Florian Weigend; Stefanie Dehnen","Syntheses of the 47 Electron Clusters [(Cp*Fe)3(μ3-X)2] (X = S, Se) and the First Fe/Sn/Se Heterocubane Cluster [(Cp*Fe)3(SnCl3)(μ3-Se)4].DME by the Use of Chalcogenostannate Salts","Inorganic Chemistry","2004","43","","4595","4603","10.1021/ic034876t","","","0.71073","MoKα","","0.1757","0.0717","","","0.15","0.1699","","","","","","0.861","","","","has coordinates","194045","2020-10-21","18:00:00",""
"4311347","22.3994","0.0004","15.3804","0.0003","13.2115","0.0002","90","","90","","90","","4551.52","0.14","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C37 H45 Cl8 Cu4 N9 O2 -","- C37 H43 Cl8 Cu4 N9 O2 -","- C148 H172 Cl32 Cu16 N36 O8 -","4","0.5","","Nicole Niklas; Frank W. Heinemann; Frank Hampel; Tim Clark; Ralf Alsfasser","The Activation of Tertiary Carboxamides in Metal Complexes: An Experimental and Theoretical Study on the Methanolysis of Acylated Bispicolylamine Copper(II) Complexes","Inorganic Chemistry","2004","43","","4663","4673","10.1021/ic0496774","","","0.71073","MoKα","","0.0772","0.0616","","","0.1194","0.1269","","","","","","1.162","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"4311525","7.4949","0.0009","24.975","0.003","9.141","0.0011","90","","90","","90","","1711.1","0.4","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H10 Cu2 N4 O10 Re -","- C10 H10 Cu2 N4 O10 Re -","- C40 H40 Cu8 N16 O40 Re4 -","4","0.5","","Junhua Luo; Ben Alexander; Timothy R. Wagner; Paul A. Maggard","Synthesis and Characterization of ReO4-Containing Microporous and Open Framework Structures","Inorganic Chemistry","2004","43","","5537","5542","10.1021/ic049609h","","","0.71073","MoKα","","0.0349","0.0264","","","0.0589","0.0623","","","","","","1.023","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311804","14.4975","0.0008","13.1068","0.0007","15.827","0.0008","90","","90","","90","","3007.4","0.3","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H40 N2 Se6 Te3 -","- C17 H40 N2 Se6 Te3 -","- C68 H160 N8 Se24 Te12 -","4","0.5","","Perumal Sekar; James A. Ibers","Syntheses and Characterization of Some Mixed Te/Se Polychalcogenide Anions [TemSen]2-","Inorganic Chemistry","2004","43","","5436","5441","10.1021/ic040026h","","","0.71073","MoKα","","0.0335","0.0236","","","0.0564","0.0601","","","","","","1.274","","","","has coordinates,has disorder","179157","2020-10-21","18:00:00",""
"4311933","12.2337","0.0006","6.9982","0.0004","14.5637","0.001","90","","90","","90","","1246.85","0.13","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Br3 H17 N6 O2 Ru -","- Br3 H14 N6 O2 Ru -","- Br12 H56 N24 O8 Ru4 -","4","0.5","","Florian Paulat; Torben Kuschel; Christian Näther; V. K. K. Praneeth; Ole Sander; Nicolai Lehnert","Spectroscopic Properties and Electronic Structure of Pentammineruthenium(II) Dinitrogen Oxide and Corresponding Nitrosyl Complexes: Binding Mode of N2O and Reactivity","Inorganic Chemistry","2004","43","","6979","6994","10.1021/ic049302i","","","0.71073","MoKα","","0.0548","0.0292","","","0.0757","0.0842","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312090","13.397","0.003","15.147","0.004","8.658","0.002","90","","90","","90","","1756.9","0.7","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H21 Cl Mo N4 O2 S -","- C14 H21 Cl Mo N4 O2 S -","- C56 H84 Cl4 Mo4 N16 O8 S4 -","4","0.5","","Brian S. Hammes; Bal S. Chohan; Justin T. Hoffman; Simon Einwächter; Carl J. Carrano","A Family of Dioxo-Molybdenum(VI) Complexes of N2X Heteroscorpionate Ligands of Relevance to Molybdoenzymes","Inorganic Chemistry","2004","43","","7800","7806","10.1021/ic049130p","","","0.71073","MoKα","","0.0668","0.0632","","0.1599","0.1534","","","","1.084","1.11","1.11","","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312233","24.6997","0.001","12.8143","0.0005","12.1194","0.0005","90","","90","","90","","3835.9","0.3","143","2","143","2","","","","","","","","5","P n m a","-P 2ac 2n","62","iPrLDBFTi2Cp2Me4","","","- C40 H56 N4 O Ti2 -","- C40 H56 N4 O Ti2 -","- C160 H224 N16 O4 Ti8 -","4","0.5","","Michael J. McNevin; John R. Hagadorn","Dititanium Complexes of Preorganized Binucleating Bis(amidinates)","Inorganic Chemistry","2004","43","","8547","8554","10.1021/ic0488841","","","0.71073","MoKα","","0.1003","0.0522","","","0.1251","0.1438","","","","","","0.956","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312267","24.289","0.005","46.879","0.009","13.499","0.002","90","","90","","90","","15371","5","203","2","203","2","","","","","","","","5","P n m a","-P 2ac 2n","62","p-tert.Butylcalix[4]arene nitrido molybdate (VI) Tetra(ethyl)ammonium salt","","","- C80 H109.5 Mo1.5 N5.5 O6 -","- C80 H109.5 Mo1.5 N5.5 O6 -","- C640 H876 Mo12 N44 O48 -","8","1","","Udo Radius; J. Attner","The (Calix[4]arene)chloromolybdate(IV) Anion [MoCl(Calix)]-: A Convenient Entry into Molybdenum Calix[4]arene Chemistry","Inorganic Chemistry","2004","43","","8587","8599","10.1021/ic049155o","","","0.56087","AgKα","","0.106","0.0647","","","0.1609","0.1944","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4312421","12.506","0.0014","13.4074","0.0016","10.9263","0.0019","90","","90","","90","","1832","0.4","103","2","103","2","","","","","","","","6","P n m a","-P 2ac 2n","62","fac - Tricarbonyl iridium tri hexafluoroantimonate dihydrogenfluorid","fac - Tricarbonyl iridium tri hexafluoroantimonate dihydrogenfluorid","","- C3 H2 F20 Ir O3 Sb3 -","- C3 H2 F20 Ir O3 Sb3 -","- C12 H8 F80 Ir4 O12 Sb12 -","4","0.5","","In-Chul Hwang; Konrad Seppelt","Fluorination of [Os3(CO)12] and [Ir4(CO)12]","Inorganic Chemistry","2003","42","","7116","7122","10.1021/ic034611e","","","0.71073","MoKα","","0.0328","0.0316","","","0.0677","0.068","","","","","","1.453","","","","has coordinates","179163","2020-10-21","18:00:00",""
"4312434","7.401","0.002","3.9898","0.0009","9.61","0.002","90","","90","","90","","283.77","0.12","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Sb1.93 Si0.06 Zr -","- Sb1.934 Si0.066 Zr -","- Sb7.736 Si0.264 Zr4 -","4","0.5","","Navid Soheilnia; Abdeljalil Assoud; Holger Kleinke","MAδSb2-δ (M = Zr, Hf; A = Si, Ge): A New Series of Ternary Antimonides and Not ""β-ZrSb2""","Inorganic Chemistry","2003","42","","7319","7325","10.1021/ic0347440","","","0.71073","MoKα","","0.047","0.0428","","","0.0976","0.0994","","","","","","1.387","","","","has coordinates","179163","2020-10-21","18:00:00",""
"4312435","7.365","0.001","3.9733","0.0008","9.574","0.002","90","","90","","90","","280.17","0.09","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Sb1.88 Si0.12 Zr -","- Sb1.885 Si0.11 Zr -","- Sb7.54 Si0.44 Zr4 -","4","0.5","","Navid Soheilnia; Abdeljalil Assoud; Holger Kleinke","MAδSb2-δ (M = Zr, Hf; A = Si, Ge): A New Series of Ternary Antimonides and Not ""β-ZrSb2""","Inorganic Chemistry","2003","42","","7319","7325","10.1021/ic0347440","","","0.71073","MoKα","","0.0328","0.0262","","","0.0563","0.0583","","","","","","1.142","","","","has coordinates","179163","2020-10-21","18:00:00",""
"4312436","7.304","0.001","3.9513","0.0006","9.576","0.002","90","","90","","90","","276.37","0.08","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge0.24 Sb1.76 Zr -","- Ge0.211 Sb1.789 Zr -","- Ge0.844 Sb7.156 Zr4 -","4","0.5","","Navid Soheilnia; Abdeljalil Assoud; Holger Kleinke","MAδSb2-δ (M = Zr, Hf; A = Si, Ge): A New Series of Ternary Antimonides and Not ""β-ZrSb2""","Inorganic Chemistry","2003","42","","7319","7325","10.1021/ic0347440","","","0.71073","MoKα","","0.0751","0.0498","","","0.0826","0.0903","","","","","","0.985","","","","has coordinates","179163","2020-10-21","18:00:00",""
"4312437","7.312","0.003","3.9433","0.0017","9.488","0.004","90","","90","","90","","273.6","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge0.2 Hf Sb1.79 -","- Ge0.2 Hf Sb1.795 -","- Ge0.8 Hf4 Sb7.18 -","4","0.5","","Navid Soheilnia; Abdeljalil Assoud; Holger Kleinke","MAδSb2-δ (M = Zr, Hf; A = Si, Ge): A New Series of Ternary Antimonides and Not ""β-ZrSb2""","Inorganic Chemistry","2003","42","","7319","7325","10.1021/ic0347440","","","0.71073","MoKα","","0.0488","0.0422","","","0.0674","0.0689","","","","","","1.264","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312568","12.644","0.003","16.067","0.003","9.906","0.002","90","","90","","90","","2012.4","0.7","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C15 H33 N3 O S2 W -","- C15 H33 N3 O S2 W -","- C60 H132 N12 O4 S8 W4 -","4","0.5","","David V. Partyka; Richard J. Staples; R. H. Holm","Nucleophilic Reactivity and Oxo/Sulfido Substitution Reactions of MVIO3 Groups (M = Mo, W)","Inorganic Chemistry","2003","42","","7877","7886","10.1021/ic030185l","","","0.71073","MoKα","","0.0398","0.0363","","","0.0767","0.0779","","","","","","1.274","","","","has coordinates","179164","2020-10-21","18:00:00",""
"4312573","12.771","0.003","6.811","0.0017","17.183","0.003","90","","90","","90","","1494.6","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cl11 Nb3 Rb V -","- Cl11 Nb3 Rb V -","- Cl44 Nb12 Rb4 V4 -","4","0.5","","Thirumalai Duraisamy; Abdessadek Lachgar","AVNb3Cl11 (A = K, Rb, Cs, Tl): A Series of Layered Vanadium Niobium Halides Based on Triangular Nb3 Clusters","Inorganic Chemistry","2003","42","","7747","7751","10.1021/ic0341439","","","0.71073","MoKα","","0.0671","0.0461","","","0.1015","0.1214","","","","","","0.984","","","","has coordinates","179164","2020-10-21","18:00:00",""
"4312574","12.698","0.005","6.798","0.003","17.145","0.01","90","","90","","90","","1480","1.2","293","2","228","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cl11 Nb3 Tl V -","- Cl11 Nb3 Tl V -","- Cl44 Nb12 Tl4 V4 -","4","0.5","","Thirumalai Duraisamy; Abdessadek Lachgar","AVNb3Cl11 (A = K, Rb, Cs, Tl): A Series of Layered Vanadium Niobium Halides Based on Triangular Nb3 Clusters","Inorganic Chemistry","2003","42","","7747","7751","10.1021/ic0341439","","","0.71073","MoKα","","0.0764","0.054","","","0.1267","0.1781","","","","","","1.005","","","","has coordinates","179164","2020-10-21","18:00:00",""
"4312592","12.241","0.002","39.105","0.008","17.69","0.004","90","","90","","90","","8468","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H34 F12 N6 O3 P2 Ru -","- C34 H32 F12 N6 O3 P2 Ru -","- C272 H256 F96 N48 O24 P16 Ru8 -","8","1","","Derek A. Tocher; Pankaj K. Pal; Dipankar Datta","Observation of 3MC Emission in a Mixed 1,10-Phenanthroline Complex of Ruthenium(II) Having a RuIIN6 Core at Room Temperature in Solution","Inorganic Chemistry","2003","42","","7704","7706","10.1021/ic034603y","","","0.71073","MoKα","","0.1441","0.073","","0.2294","0.1827","","","","0.94","1.162","1.162","","","","","has coordinates","179164","2020-10-21","18:00:00",""
"4312608","17.4751","0.001","28.8954","0.0017","17.7919","0.001","90","","90","","90","","8984","0.9","193","2","193","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C71 H110 Cl9 N14 Nd3 O11 -","- C71 H90 Cl9 N14 Nd3 O11 -","- C284 H360 Cl36 N56 Nd12 O44 -","4","0.5","","Florence Bravard; Yann Bretonnière; Raphaël Wietzke; Christelle Gateau; Marinella Mazzanti; Pascale Delangle; Jacques Pécaut","Solid-State and Solution Properties of Cationic Lanthanide Complexes of a New Neutral Heptadentate N4O3 Tripodal Ligand","Inorganic Chemistry","2003","42","","7978","7989","10.1021/ic034692e","","","0.71073","MoKα","","0.1023","0.035","","","0.0707","0.0855","","","","","","0.837","","","","has coordinates","179165","2020-10-21","18:00:00",""
"4312623","29.029","0.011","18.924","0.007","9.052","0.004","90","","90","","90","","4973","3","293","2","110","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C45 H52 Fe2 I2 N4 O2 P2 Zn2 -","- C33 H32.6667 Fe1.33333 I1.33333 N2.66667 O1.66667 P1.33333 Zn1.33333 -","- C198 H196 Fe8 I8 N16 O10 P8 Zn8 -","6","0.75","","Donald J. Darensbourg; M. Jason Adams; Jason C. Yarbrough; Andrea L. Phelps","Synthesis and Structural Characterization of Double Metal Cyanides of Iron and Zinc: Catalyst Precursors for the Copolymerization of Carbon Dioxide and Epoxides","Inorganic Chemistry","2003","42","","7809","7818","10.1021/ic0347900","","","0.71073","MoKα","","0.1619","0.0541","","","0.1276","0.1509","","","","","","1.02","","","","has coordinates,has disorder","179165","2020-10-21","18:00:00",""
"4312670","12.435","0.002","21.398","0.004","10.729","0.002","90","","90","","90","","2854.8","0.9","158.1","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H39 Cu N3 O2 -","- C30 H39 Cu N3 O2 -","- C120 H156 Cu4 N12 O8 -","4","0.5","","Chizu Shimokawa; Seiji Yokota; Yoshimitsu Tachi; Nagatoshi Nishiwaki; Masahiro Ariga; Shinobu Itoh","Substituent Effects of β-Diketiminate Ligands on the Structure and Physicochemical Properties of Copper(II) Complexes","Inorganic Chemistry","2003","42","","8395","8405","10.1021/ic0344766","","","0.7107","MoKα","","","0.024","","","","0.036","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312727","7.6652","0.0012","14.809","0.002","7.7695","0.0012","90","","90","","90","","881.9","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd6.67 Ge3.33 Si2 -","- Gd6.66667 Ge3.65467 Si1.68 -","- Gd20 Ge10.964 Si5.04 -","3","0.375","","Wonyoung Choe; A. O. Pecharsky; Michael Wörle; Gordon J. Miller","""Nanoscale Zippers"" in Gd5(SixGe1-x)4: Symmetry and Chemical Influences on the Nanoscale Zipping Action","Inorganic Chemistry","2003","42","","8223","8229","10.1021/ic034941z","","","0.71073","MoKα","","0.054","0.0421","","","0.1064","0.1128","","","","","","0.811","","","","has coordinates","179166","2020-10-21","18:00:00",""
"4312729","7.6891","0.0011","14.8226","0.0017","7.7773","0.0008","90","","90","","90","","886.4","0.19","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd2.22 Ge1.11 Si0.67 -","- Gd2.22222 Ge1.58311 Si0.195556 -","- Gd20 Ge14.248 Si1.76 -","9","1.125","","Wonyoung Choe; A. O. Pecharsky; Michael Wörle; Gordon J. Miller","""Nanoscale Zippers"" in Gd5(SixGe1-x)4: Symmetry and Chemical Influences on the Nanoscale Zipping Action","Inorganic Chemistry","2003","42","","8223","8229","10.1021/ic034941z","","","0.71073","MoKα","","0.0641","0.0597","","","0.2042","0.2077","","","","","","1.496","","","","has coordinates","179166","2020-10-21","18:00:00",""
"4312730","7.6778","0.0019","14.796","0.004","7.764","0.002","90","","90","","90","","882","0.4","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd5 Ge4 -","- Gd5 Ge4 -","- Gd20 Ge16 -","4","0.5","","Wonyoung Choe; A. O. Pecharsky; Michael Wörle; Gordon J. Miller","""Nanoscale Zippers"" in Gd5(SixGe1-x)4: Symmetry and Chemical Influences on the Nanoscale Zipping Action","Inorganic Chemistry","2003","42","","8223","8229","10.1021/ic034941z","","","0.71073","MoKα","","0.0394","0.0287","","","0.0739","0.0828","","","","","","0.607","","","","has coordinates","179166","2020-10-21","18:00:00",""
"4312855","9.2919","0.0001","9.1235","0.0001","33.6347","0.0003","90","","90","","90","","2851.37","0.05","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C19 H31 F12 N P2 Ru S3 -","- C19 H31 F12.006 N P2 Ru S3 -","- C76 H124 F48.024 N4 P8 Ru4 S12 -","4","0.5","","Richard Y. C. Shin; Martin A. Bennett; Lai Yoong Goh; Wei Chen; David C. R. Hockless; Weng Kee Leong; Kazushi Mashima; Anthony C. Willis","Arene-Ruthenium Complexes of an Acyclic Thiolate-Thioether and Tridentate Thioether Derivatives Resulting from Ring-Closure Reactions","Inorganic Chemistry","2003","42","","96","106","10.1021/ic0203419","","","0.71073","MoKα","","0.069","0.051","","","0.1078","0.1172","","","","","","1.143","","","","has coordinates,has disorder","179167","2020-10-21","18:00:00",""
"4312856","9.7217","0.0004","9.0816","0.0004","34.0881","0.0013","90","","90","","90","","3009.6","0.2","223","2","223","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C21 H35 F12 N P2 Ru S3 -","- C21 H35 F12 N P2 Ru S3 -","- C84 H140 F48 N4 P8 Ru4 S12 -","4","0.5","","Richard Y. C. Shin; Martin A. Bennett; Lai Yoong Goh; Wei Chen; David C. R. Hockless; Weng Kee Leong; Kazushi Mashima; Anthony C. Willis","Arene-Ruthenium Complexes of an Acyclic Thiolate-Thioether and Tridentate Thioether Derivatives Resulting from Ring-Closure Reactions","Inorganic Chemistry","2003","42","","96","106","10.1021/ic0203419","","","0.71073","MoKα","","0.0596","0.0483","","","0.128","0.1339","","","","","","1.033","","","","has coordinates,has disorder","179167","2020-10-21","18:00:00",""
"4312862","19.842","0.002","21.036","0.003","15.508","0.004","90","","90","","90","","6473","2","213","2","213","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","tetrakis(μ4-sulfido)tris(tricyclohexylphosphine)chloro-tetra-iron acetonitrile solvate","","- C56 H102 Cl Fe4 N P3 S4 -","- C56 H99 Cl Fe4 N P3 S4 -","- C224 H396 Cl4 Fe16 N4 P12 S16 -","4","0.5","","Hong-Cai Zhou; R. H. Holm","Synthesis and Reactions of Cubane-Type Iron-Sulfur-Phosphine Clusters, Including Soluble Clusters of Nuclearities 8 and 16","Inorganic Chemistry","2003","42","","11","21","10.1021/ic020464t","","","0.71073","MoKα","","0.0542","0.0343","","","0.0858","0.0951","","","","","","1.017","","","","has coordinates,has disorder","179167","2020-10-21","18:00:00",""
"4312903","13.9352","0.0007","7.2825","0.0004","9.2851","0.0005","90","","90","","90","","942.28","0.09","100","1","100","1","","","","","","","","6","P n m a","-P 2ac 2n","62","trans-[Ru(II)(NH3)4Cl(SO2)]Cl","trans-Tetraamminechloro(sulfur dioxide)ruthenium(II) chloride","","- Cl2 H12 N4 O2 Ru S -","- Cl2 H12 N4 O2 Ru S -","- Cl8 H48 N16 O8 Ru4 S4 -","4","0.5","","Andrey Yu. Kovalevsky; Kimberly A. Bagley; Jacqueline M. Cole; Philip Coppens","Light-Induced Metastable Linkage Isomers of Ruthenium Sulfur Dioxide Complexes","Inorganic Chemistry","2003","42","","140","147","10.1021/ic025997g","","","0.71073","MoKα","","0.0309","0.0286","","","0.0748","0.076","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312904","13.8518","0.0009","7.2484","0.0005","9.2149","0.0006","90","","90","","90","","925.21","0.11","100","1","100","1","","","","","","","","6","P n m a","-P 2ac 2n","62","trans-[Ru(II)(NH3)4Cl(SO2)]Cl","trans-Tetraamminechloro(sulfur dioxide)ruthenium(II) chloride","","- Cl2 H12 N4 O2 Ru S -","- Cl2 H12 N4 O2.01 Ru1.01 S -","- Cl8 H48 N16 O8.04 Ru4.04 S4 -","4","0.5","","Andrey Yu. Kovalevsky; Kimberly A. Bagley; Jacqueline M. Cole; Philip Coppens","Light-Induced Metastable Linkage Isomers of Ruthenium Sulfur Dioxide Complexes","Inorganic Chemistry","2003","42","","140","147","10.1021/ic025997g","","","0.71073","MoKα","","0.0347","0.0287","","","0.078","0.0804","","","","","","1.296","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4312905","10.117","0.003","7.746","0.003","13.282","0.003","90","","90","","90","","1040.9","0.6","90","1","90","1","","","","","","","","8","P n m a","-P 2ac 2n","62","trans-[Ru(II)(NH3)4(Cl)(SO2)](BF4)","trans-Tetraamminechloro(sulfur dioxide)ruthenium(II) tetrafluoroborate","","- B Cl F4 H12 N4 O2 Ru S -","- B Cl F4 H12 N4 O2 Ru S -","- B4 Cl4 F16 H48 N16 O8 Ru4 S4 -","4","0.5","","Andrey Yu. Kovalevsky; Kimberly A. Bagley; Jacqueline M. Cole; Philip Coppens","Light-Induced Metastable Linkage Isomers of Ruthenium Sulfur Dioxide Complexes","Inorganic Chemistry","2003","42","","140","147","10.1021/ic025997g","","","0.71073","MoKα","","0.0484","0.0325","","","0.0735","0.0785","","","","","","1.083","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4313077","17.282","0.0015","25.425","0.002","10.1454","0.0009","90","","90","","90","","4457.8","0.7","213","2","213","2","","","","","","","","8","P n m a","-P 2ac 2n","62","[Os2(hpp)4Cl2](PF6) 2acetone","","","- C34 H60 Cl2 F6 N12 O2 Os2 P -","- C34 H60 Cl2 F6 N12 O2 Os2 P -","- C136 H240 Cl8 F24 N48 O8 Os8 P4 -","4","0.5","","F. Albert Cotton; Naresh S. Dalal; Penglin Huang; Carlos A. Murillo; Ashley C. Stowe; Xiaoping Wang","The First Structurally Confirmed Paddlewheel Compound with an M27+ Core: [Os2(hpp)4Cl2](PF6)","Inorganic Chemistry","2003","42","","670","672","10.1021/ic026250t","","","0.71073","MoKα","","0.0442","0.0334","","","0.0688","0.0739","","","","","","1.169","","","","has coordinates,has disorder","179183","2020-10-21","18:00:00",""
"4313106","22.335","0.0003","23.2975","0.0005","12.5653","0.0007","90","","90","","90","","6538.3","0.4","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C65 H59 Cl3 F6 N P5 Re2 -","- C70 H64 Cl3 F6 N2 P5 Re2 -","- C280 H256 Cl12 F24 N8 P20 Re8 -","4","0.5","","Mani Ganesan; Keng-Yu Shih; Phillip E. Fanwick; Richard A. Walton","Complexation of the Triply-Bonded Dirhenium(II) Complex Re2Cl4(μ-dppm)2 (dppm = Ph2PCH2PPh2) by Up to Three Acetylene Molecules","Inorganic Chemistry","2003","42","","1241","1247","10.1021/ic020532b","","","0.71073","MoKα","","0.0775","0.0568","","","0.1417","0.1566","","","","","","1.07","","","","has coordinates,has disorder","179185","2020-10-21","18:00:00",""
"4313195","14.092","0.003","20.696","0.002","12.199","0.004","90","","90","","90","","3557.8","1.4","191","","191","","","","","","","","?","7","P n m a","-P 2ac 2n","62","","","","- C6 H32 K2 Mo6 N3 O35 P -","- C6 H11 K2 Mo6 N3 O35 P -","- C24 H44 K8 Mo24 N12 O140 P4 -","4","0.5","","Ulrich Kortz; Jacqueline Vaissermann; René Thouvenot; Pierre Gouzerh","Heteropolymolybdates of Phosphate, Phosphonate, and Phosphite Functionalized by Glycine","Inorganic Chemistry","2003","42","","1135","1139","10.1021/ic0261427","","","0.71069","MoKα","","","0.0398","","","0.0472","","","","","1.2369","1.2369","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4313196","14.118","0.0017","20.66","0.003","12.1908","0.0015","90","","90","","90","","3555.8","0.8","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H33 K2 Mo6 N3 O36.5 P -","- C6 H10 K2 Mo6 N3 O36.5 P -","- C24 H40 K8 Mo24 N12 O146 P4 -","4","0.5","","Ulrich Kortz; Jacqueline Vaissermann; René Thouvenot; Pierre Gouzerh","Heteropolymolybdates of Phosphate, Phosphonate, and Phosphite Functionalized by Glycine","Inorganic Chemistry","2003","42","","1135","1139","10.1021/ic0261427","","","0.71073","MoKα","","0.0833","0.0717","","","0.1487","0.1535","","","","","","1.339","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313197","14.1643","0.0006","20.8658","0.0008","12.2235","0.0005","90","","90","","90","","3612.6","0.3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C7 H35 K2 Mo6 N3 O35.5 P -","- C7 H13 K2 Mo6 N3 O35.5 P -","- C28 H52 K8 Mo24 N12 O142 P4 -","4","0.5","","Ulrich Kortz; Jacqueline Vaissermann; René Thouvenot; Pierre Gouzerh","Heteropolymolybdates of Phosphate, Phosphonate, and Phosphite Functionalized by Glycine","Inorganic Chemistry","2003","42","","1135","1139","10.1021/ic0261427","","","0.71073","MoKα","","0.0533","0.0487","","","0.1065","0.1088","","","","","","1.2","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313287","16.4824","0.0002","2.8273","0.0002","17.3283","0.0002","90","0.005","90","0.005","90","0.005","807.51","0.06","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Mn2.44 Mo6 O9 -","- Mn2.44 Mo6 O9 -","- Mn9.76 Mo24 O36 -","4","0.5","","Nicolas Barrier; Patrick Gougeon; Richard Retoux; Henri Leligny","Mn~2.4Mo6O9: First Example of Empty Twin Chains of Edge-Sharing M6 Octahedra in Transition Metal Cluster Chemistry","Inorganic Chemistry","2003","42","","1734","1738","10.1021/ic0260365","","","0.71069","MoKα","","0.04","0.0344","","","0.0763","0.0791","","","","","","1.108","","","","has coordinates","179188","2020-10-21","18:00:00",""
"4313294","16.23","0.011","9.237","0.006","7.609","0.005","90","","90","","90","","1140.7","1.3","166","2","166","2","","","","","","","synthetic","4","P n m a","-P 2ac 2n","62","","","","- C9 H15 Co N6 -","- C9 H15 Co N6 -","- C36 H60 Co4 N24 -","4","0.5","","Jenny Y. Yang; Matthew P. Shores; Jennifer J. Sokol; Jeffrey R. Long","High-Nuclearity Metal-Cyanide Clusters: Synthesis, Magnetic Properties, and Inclusion Behavior of Open-Cage Species Incorporating [(tach)M(CN)3] (M = Cr, Fe, Co) Complexes","Inorganic Chemistry","2003","42","","1403","1419","10.1021/ic026065f","","","0.71073","MoKα","","0.0415","0.0266","","0.0581","0.0545","","","","1.017","1.078","1.078","","","","","has coordinates","179188","2020-10-21","18:00:00",""
"4313300","11.8248","0.0008","14.7418","0.001","21.5191","0.0014","90","","90","","90","","3751.2","0.4","142","2","142","2","","","","","","","synthetic","7","P n m a","-P 2ac 2n","62","","","","- C9 H47 Br6 Fe N6 Ni3 O16 -","- C9 H15 Br6 Fe N6 Ni3 O15.724 -","- C36 H60 Br24 Fe4 N24 Ni12 O62.896 -","4","0.5","","Jenny Y. Yang; Matthew P. Shores; Jennifer J. Sokol; Jeffrey R. Long","High-Nuclearity Metal-Cyanide Clusters: Synthesis, Magnetic Properties, and Inclusion Behavior of Open-Cage Species Incorporating [(tach)M(CN)3] (M = Cr, Fe, Co) Complexes","Inorganic Chemistry","2003","42","","1403","1419","10.1021/ic026065f","","","0.71073","MoKα","","0.0883","0.0572","","0.1556","0.1365","","","","1.02","1.066","1.066","","","","","has coordinates,has disorder","179191","2020-10-21","18:00:00",""
"4313305","20.832","0.003","16.324","0.002","9.734","0.0014","90","","90","","90","","3310.2","0.8","155","2","155","2","","","","","","","synthetic","8","P n m a","-P 2ac 2n","62","","","","- C19 H43 Cr F12 N10 Ni O2 P2 -","- C19 H39 Cr F12 N10 Ni O2 P2 -","- C76 H156 Cr4 F48 N40 Ni4 O8 P8 -","4","0.5","","Jenny Y. Yang; Matthew P. Shores; Jennifer J. Sokol; Jeffrey R. Long","High-Nuclearity Metal-Cyanide Clusters: Synthesis, Magnetic Properties, and Inclusion Behavior of Open-Cage Species Incorporating [(tach)M(CN)3] (M = Cr, Fe, Co) Complexes","Inorganic Chemistry","2003","42","","1403","1419","10.1021/ic026065f","","","0.71073","MoKα","","0.0992","0.0646","","0.1984","0.1814","","","","1.066","1.248","1.248","","","","","has coordinates","179191","2020-10-21","18:00:00",""
"4313331","17.298","0.008","14.489","0.007","14.396","0.007","90","","90","","90","","3608","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","[LOEtTi(Cl4cat)Cl]","","","- C23 H35 Cl5 Co O11 P3 Ti -","- C23 H35 Cl5 Co O11 P3 Ti -","- C92 H140 Cl20 Co4 O44 P12 Ti4 -","4","0.5","","Tony C. H. Lam; Eddie Y. Y. Chan; Wing-Leung Mak; Samuel M. F. Lo; Ian D. Williams; Wing-Tak Wong; Wa-Hung Leung","Half-Sandwich Titanium(IV) Complexes with Kläui's Tripod Ligand","Inorganic Chemistry","2003","42","","1842","1847","10.1021/ic020287w","","","0.71073","MoKα","","0.1634","0.0734","","0.1791","0.1372","","","","1.082","1.282","1.282","","","","","has coordinates","179191","2020-10-21","18:00:00",""
"4313425","8.20481","0.0001","6.90652","0.00006","19.6598","0.0004","90","","90","","90","","1114.06","0.03","","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C5 H15 Al F N O6 P2 -","- C5 Al F N O6 P2 -","- C20 Al4 F4 N4 O24 P8 -","4","0.5","","Howard G. Harvey; Simon J. Teat; Chiu C. Tang; Lachlan M. Cranswick; Martin P. Attfield","Synthesis and Characterization of Three Novel Cation-Containing (NH4+/C3H7NH3+/NH3+C2H4NH3+) Aluminum Diphosphonates","Inorganic Chemistry","2003","42","","2428","2439","10.1021/ic020641q","powder diffraction","","1.29995","","","","","","","","","","","1.63","","","","","","","has coordinates","179193","2020-10-21","18:00:00",""
"4313497","16.6204","0.0003","6.5616","0.0001","10.248","0.0002","90","","90","","90","","1117.61","0.03","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","(hexamethylenetetramine)(tricyanomethanide)silver(I)","","- C10 H12 Ag N7 -","- C10 H12 Ag N7 -","- C40 H48 Ag4 N28 -","4","0.5","","Brendan F. Abrahams; Stuart R. Batten; Bernard F. Hoskins; Richard Robson","AgC(CN)3- Based Coordination Polymers","Inorganic Chemistry","2003","42","","2654","2664","10.1021/ic026189s","","","0.71073","MoKα","","0.023","0.0221","","","0.0465","0.0468","","","","","","1.21","","","","has coordinates","179193","2020-10-21","18:00:00",""
"4313654","11.0142","0.0004","12.9423","0.0005","13.9602","0.0005","90","","90","","90","","1990.01","0.13","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H15 Mn Mo O6 S2 -","- C16 H15 Mn Mo O6 S2 -","- C64 H60 Mn4 Mo4 O24 S8 -","4","0.5","","Richard D. Adams; Burjor Captain; O-Sung Kwon; Shaobin Miao","New Disulfido Molybdenum-Manganese Complexes Exhibit Facile Addition of Small Molecules to the Sulfur Atoms","Inorganic Chemistry","2003","42","","3356","3365","10.1021/ic030034i","","","0.71073","MoKα","","0.0315","0.0282","","","0.0765","0.0801","","","","","","1.062","","","","has coordinates","179198","2020-10-21","18:00:00",""
"4313675","10.7397","0.0005","16.6829","0.0009","18.0705","0.001","90","","90","","90","","3237.7","0.3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C26 H30 F6 N3 O3 P Re -","- C26 H30 F6 N4 O3 P Re -","- C104 H120 F24 N16 O12 P4 Re4 -","4","0.5","","Shih-Sheng Sun; Alistair J. Lees; Peter Y. Zavalij","Highly Sensitive Luminescent Metal-Complex Receptors for Anions through Charge-Assisted Amide Hydrogen Bonding","Inorganic Chemistry","2003","42","","3445","3453","10.1021/ic0206589","","","0.71073","MoKα","","0.0767","0.0381","","","0.0816","0.093","","","","","","0.93","","","","has coordinates","179198","2020-10-21","18:00:00",""
"4313784","14.4291","0.0009","9.9988","0.0006","18.2839","0.0012","90","","90","","90","","2637.9","0.3","100","2","100","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C15 H14 Cl2 I2 Ir2 O6 S2 Ti -","- C15 H12 Cl2 I2 Ir2 O6 S2 Ti -","- C60 H48 Cl8 I8 Ir8 O24 S8 Ti4 -","4","0.5","","Miguel A. Casado; Jesús J. Pérez-Torrente; Miguel A. Ciriano; Isabel T. Dobrinovitch; Fernando J. Lahoz; Luis A. Oro","Stereoselective Oxidative Additions of Iodoalkanes and Activated Alkynes to a Sulfido-Bridged Heterotrinuclear Early-Late (TiIr2) Complex","Inorganic Chemistry","2003","42","","3956","3964","10.1021/ic034278e","","","0.71073","MoKα","","0.0573","0.0532","","","0.1216","0.1231","","","","","","1.159","","","","has coordinates,has disorder","179202","2020-10-21","18:00:00",""
"4313823","28.107","0.005","13.878","0.002","25.137","0.004","90","","90","","90","","9805","3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","d-Al13-W12","","","- Al13 O103.08 W12 -","- Al13 O103.12 W12 -","- Al52 O412.48 W48 -","4","0.5","","Jung Ho Son; Young-Uk Kwon; Oc Hee Han","New Ionic Crystals of Oppositely Charged Cluster Ions and Their Characterization","Inorganic Chemistry","2003","42","","4153","4159","10.1021/ic0340377","","","0.71073","MoKα","","0.0983","0.0596","","","0.1357","0.1569","","","","","","1.09","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4313824","28.0614","0.0014","13.9292","0.0007","25.369","0.0012","90","","90","","90","","9916.1","0.8","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","d-Al13-CoW12","","","- Al13 Co O99.99 W12 -","- Al13 Co O100.03 W12 -","- Al52 Co4 O400.12 W48 -","4","0.5","","Jung Ho Son; Young-Uk Kwon; Oc Hee Han","New Ionic Crystals of Oppositely Charged Cluster Ions and Their Characterization","Inorganic Chemistry","2003","42","","4153","4159","10.1021/ic0340377","","","0.71073","MoKα","","0.063","0.0388","","","0.1088","0.1194","","","","","","1.032","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4313881","16.369","0.0004","15.238","0.0012","8.743","0.0012","90","","90","","90","","2180.8","0.3","130","2","130","2","","","","","","","","6","P n m a","-P 2ac 2n","62","FeCNtBuH","","","- C17 H24 Fe2 N2 O4 S2 -","- C17 H24 Fe2 N2 O4 S2 -","- C68 H96 Fe8 N8 O16 S8 -","4","0.5","","Jennifer L. Nehring; D. Michael Heinekey","Dinuclear Iron Isonitrile Complexes: Models for the Iron Hydrogenase Active Site","Inorganic Chemistry","2003","42","","4288","4292","10.1021/ic034334b","","","0.71073","MoKα","","0.109","0.0465","","","0.0977","0.1139","","","","","","0.935","","","","has coordinates","179204","2020-10-21","18:00:00",""
"4313930","8.6447","0.0012","6.8512","0.001","4.8254","0.0007","90","","90","","90","","285.79","0.07","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Lithium perchlorate","Lithium perchlorate","","- Cl Li O4 -","- Cl Li O4 -","- Cl4 Li4 O16 -","4","0.5","","Wesley A. Henderson; Neil R. Brooks","Crystals from Concentrated Glyme Mixtures. The Single-Crystal Structure of LiClO4","Inorganic Chemistry","2003","42","","4522","4524","10.1021/ic034518q","","","0.71073","MoKα","","0.0272","0.0266","","","0.0723","0.0726","","","","","","1.186","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4313974","18.91","0.004","17.713","0.004","6.8213","0.0014","90","","90","","90","","2284.8","0.8","133","2","133","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","compound 8","","- C22 H35 Ga O2 -","- C22 H35 Ga O2 -","- C88 H140 Ga4 O8 -","4","0.5","","Marcus Schiefer; N. Dastagiri Reddy; Hans-Jürgen Ahn; Andreas Stasch; Herbert W. Roesky; A. Christine Schlicker; Hans-Georg Schmidt; Mathias Noltemeyer; Denis Vidovic","Neutral and Ionic Aluminum, Gallium, and Indium Compounds Carrying Two or Three Terminal Ethynyl Groups","Inorganic Chemistry","2003","42","","4970","4976","10.1021/ic0342806","","","0.71073","MoKα","","0.0264","0.0237","","","0.0707","0.0719","","","","","","1.072","","","","has coordinates","179207","2020-10-21","18:00:00",""
"4314082","9.327","0.002","22.674","0.005","10.317","0.002","90","","90","","90","","2181.8","0.8","133","1","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C5 H11 Cl Cu0.5 N4 O6 Pt0.5 -","- C5 H9 Cl Cu0.5 N4 O6 Pt0.5 -","- C40 H72 Cl8 Cu4 N32 O48 Pt4 -","8","1","","Jens Müller; Eva Freisinger; Pablo J. Sanz Miguel; Bernhard Lippert","Diplatinum(III) Complexes with Four Bridging 1-Methylcytosinato Nucleobases Derived from a Mononuclear trans-(NH3)2PtII Complex and CuII","Inorganic Chemistry","2003","42","","5117","5125","10.1021/ic0343152","","","0.71069","MoKα","","0.0458","0.0299","","0.1041","0.07","","","","1.042","1.131","1.131","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314179","13.0858","0.0008","17.555","0.001","10.5984","0.0007","90","","90","","90","","2434.7","0.3","193","2","193","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H11 N O9.5 Se2 U -","- C4 H8.5 N O9.5 Se2 U -","- C32 H68 N8 O76 Se16 U8 -","8","1","","Philip M. Almond; Thomas E. Albrecht-Schmitt","Do Secondary and Tertiary Ammonium Cations Act as Structure-Directing Agents in the Formation of Layered Uranyl Selenites?","Inorganic Chemistry","2003","42","","5693","5698","10.1021/ic034308d","","","0.71073","MoKα","","0.0413","0.0297","","","0.0588","0.0619","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314206","13.2213","0.0013","15.649","0.004","8.814","0.002","90","","90","","90","","1823.6","0.6","243","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H21 Cl Mg2 Mo N4 S -","- C14 H21 Cl Mg2 Mo N4 S -","- C56 H84 Cl4 Mg8 Mo4 N16 S4 -","4","0.5","","Carl J. Carrano; Balwant S. Chohan; Brian S. Hammes; Brian W. Kail; Victor N. Nemykin; Partha Basu","Donor Atom Dependent Geometric Isomers in Mononuclear Oxo-Molybdenum(V) Complexes: Implications for Coordinated Endogenous Ligation in Molybdoenzymes","Inorganic Chemistry","2003","42","","5999","6007","10.1021/ic0262785","","","0.71073","MoKα","","0.07","0.0602","","0.1669","0.1551","","","","1.061","1.086","1.086","","","","","has coordinates","179214","2020-10-21","18:00:00",""
"4314221","21.2803","0.0005","23.5958","0.0004","14.4185","0.0003","90","","90","","90","","7239.9","0.3","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C85 H77 N3 O7 P4 -","- C79 H65 N3 O5 P4 -","- C316 H260 N12 O20 P16 -","4","0.5","","Swarup Chattopadhyay; Phillip E. Fanwick; Richard A. Walton","Reactions of the Dirhenium(II) Complex Re2Cl4(μ-dppm)2 with Pyridinecarboxylic Acids. Examples of Bidentate O,O versus N,O Coordination and Tridentate O,N,O Coordination and Structural Isomers That Contain the Pyridine-2,6-dicarboxylate Ligand","Inorganic Chemistry","2003","42","","5924","5931","10.1021/ic030153y","","","0.71073","MO-Kα","","","0.046","","","","0.117","","","","","","1.088","","","","has coordinates","179214","2020-10-21","18:00:00",""
"4314416","7.956","0.003","25.251","0.01","14.359","0.006","90","","90","","90","","2885","2","273","2","273","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H6 Ag1.5 Cl1.5 N4 O7 S -","- C8 H6 Ag1.5 Cl1.5 N4 O7 S -","- C64 H48 Ag12 Cl12 N32 O56 S8 -","8","1","","Chong-Qing Wan; Liang Zhao; Thomas C. W. Mak","Dipyrazinyl Sulfoxide Complexes of Silver(I), Zinc(II), and Cadmium(II): Ligation Modes and Anion Tuning","Inorganic Chemistry","2010","49","","97","107","10.1021/ic901521j","","","0.71073","MoKα","","0.052","0.041","","","0.1016","0.1074","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314517","15.9841","0.0019","23.499","0.003","10.6851","0.0013","90","","90","","90","","4013.4","0.9","123","2","123","2","","","","","","","","7","P n m a","-P 2ac 2n","62","08066a","","","- C41 H51 B N6 Ni O2 S -","- C41 H51 B N6 Ni O2 S -","- C164 H204 B4 N24 Ni4 O8 S4 -","4","0.5","","Swarup Chattopadhyay; Tapash Deb; Jeffrey L. Petersen; Victor G. Young; Michael P. Jensen","Steric Titration of Arylthiolate Coordination Modes at Pseudotetrahedral Nickel(II) Centers","Inorganic Chemistry","2010","49","","457","467","10.1021/ic901347p","","","0.71073","MoKα","","0.0411","0.0352","","","0.1002","0.1042","","","","","","1.122","","","","has coordinates,has disorder","179221","2020-10-21","18:00:00",""
"4314595","18.572","0.002","9.8246","0.001","9.9071","0.001","90","","90","","90","","1807.7","0.3","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","chlorido(1,2-bis(dimethylarsino)benzene)germanium(II) trichloridogermanate(II)","","- C10 H16 As2 Cl4 Ge2 -","- C10 H16 As2 Cl4 Ge2 -","- C40 H64 As8 Cl16 Ge8 -","4","0.5","","Fei Cheng; Andrew L. Hector; William Levason; Gillian Reid; Michael Webster; Wenjian Zhang","Diphosphine and Diarsine Complexes of Germanium(II) Halides-Preparation, Spectroscopic, and Structural Studies","Inorganic Chemistry","2010","49","","752","760","10.1021/ic902068z","","","0.71073","MoKα","","0.0311","0.0288","","","0.0766","0.0785","","","","","","1.055","","","","has coordinates","179221","2020-10-21","18:00:00",""
"4314632","23.5128","0.0019","6.8407","0.0005","8.7416","0.0008","90","","90","","90","","1406","0.2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C9 H14 Cl N O7 P Sm -","- C9 H14 Cl N O7 P Sm -","- C36 H56 Cl4 N4 O28 P4 Sm4 -","4","0.5","","Tian-Hua Zhou; Fei-Yan Yi; Pei-Xin Li; Jiang-Gao Mao","Synthesis, Crystal Structures, and Luminescent Properties of Two Series' of New Lanthanide (III) Amino-Carboxylate-Phosphonates","Inorganic Chemistry","2010","49","","905","915","10.1021/ic901621x","","","0.71073","MoKα","","0.0282","0.0268","","","0.0616","0.0625","","","","","","1.095","","","","has coordinates","179224","2020-10-21","18:00:00",""
"4314633","23.496","0.002","6.8277","0.0006","8.7335","0.0008","90","","90","","90","","1401.1","0.2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C9 H14 Cl Eu N O7 P -","- C9 H14 Cl Eu N O7 P -","- C36 H56 Cl4 Eu4 N4 O28 P4 -","4","0.5","","Tian-Hua Zhou; Fei-Yan Yi; Pei-Xin Li; Jiang-Gao Mao","Synthesis, Crystal Structures, and Luminescent Properties of Two Series' of New Lanthanide (III) Amino-Carboxylate-Phosphonates","Inorganic Chemistry","2010","49","","905","915","10.1021/ic901621x","","","0.71073","MoKα","","0.0346","0.0285","","","0.0579","0.0604","","","","","","1.078","","","","has coordinates","179224","2020-10-21","18:00:00",""
"4314634","23.515","0.012","6.828","0.003","8.743","0.004","90","","90","","90","","1403.8","1.1","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C9 H14 Cl Gd N O7 P -","- C9 H14 Cl Gd N O7 P -","- C36 H56 Cl4 Gd4 N4 O28 P4 -","4","0.5","","Tian-Hua Zhou; Fei-Yan Yi; Pei-Xin Li; Jiang-Gao Mao","Synthesis, Crystal Structures, and Luminescent Properties of Two Series' of New Lanthanide (III) Amino-Carboxylate-Phosphonates","Inorganic Chemistry","2010","49","","905","915","10.1021/ic901621x","","","0.71073","MoKα","","0.0233","0.0214","","","0.0458","0.0468","","","","","","1.077","","","","has coordinates","179224","2020-10-21","18:00:00",""
"4314635","23.48","0.003","6.7749","0.0007","8.6854","0.0009","90","","90","","90","","1381.6","0.3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C9 H14 Cl N O7 P Tb -","- C9 H14 Cl N O7 P Tb -","- C36 H56 Cl4 N4 O28 P4 Tb4 -","4","0.5","","Tian-Hua Zhou; Fei-Yan Yi; Pei-Xin Li; Jiang-Gao Mao","Synthesis, Crystal Structures, and Luminescent Properties of Two Series' of New Lanthanide (III) Amino-Carboxylate-Phosphonates","Inorganic Chemistry","2010","49","","905","915","10.1021/ic901621x","","","0.71073","MoKα","","0.0207","0.0197","","","0.0443","0.045","","","","","","1.097","","","","has coordinates","179224","2020-10-21","18:00:00",""
"4314636","23.463","0.013","6.75","0.004","8.658","0.005","90","","90","","90","","1371.2","1.4","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C9 H14 Cl Dy N O7 P -","- C9 H14 Cl Dy N O7 P -","- C36 H56 Cl4 Dy4 N4 O28 P4 -","4","0.5","","Tian-Hua Zhou; Fei-Yan Yi; Pei-Xin Li; Jiang-Gao Mao","Synthesis, Crystal Structures, and Luminescent Properties of Two Series' of New Lanthanide (III) Amino-Carboxylate-Phosphonates","Inorganic Chemistry","2010","49","","905","915","10.1021/ic901621x","","","0.71073","MoKα","","0.0225","0.0212","","","0.0467","0.0472","","","","","","1.101","","","","has coordinates","179224","2020-10-21","18:00:00",""
"4314637","23.436","0.017","6.736","0.005","8.643","0.006","90","","90","","90","","1364.4","1.7","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C9 H14 Cl Er N O7 P -","- C9 H14 Cl Er N O7 P -","- C36 H56 Cl4 Er4 N4 O28 P4 -","4","0.5","","Tian-Hua Zhou; Fei-Yan Yi; Pei-Xin Li; Jiang-Gao Mao","Synthesis, Crystal Structures, and Luminescent Properties of Two Series' of New Lanthanide (III) Amino-Carboxylate-Phosphonates","Inorganic Chemistry","2010","49","","905","915","10.1021/ic901621x","","","0.71073","MoKα","","0.0297","0.0245","","","0.0567","0.0598","","","","","","1.081","","","","has coordinates","179224","2020-10-21","18:00:00",""
"4314659","9.5239","0.0011","29.418","0.003","6.0974","0.0007","90","","90","","90","","1708.3","0.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","bis-(p-methoxy-benzyl)-dichloride-tin","","- C16 H18 Cl2 O2 Sn -","- C16 H18 Cl2 O2 Sn -","- C64 H72 Cl8 O8 Sn4 -","4","0.5","","Diana Gabriela Vargas-Pineda; Tanya Guardado; Francisco Cervantes-Lee; Alejandro J. Metta-Magana; Keith H. Pannell","Intramolecular Chalcogen-Tin Interactions in [(o-MeEC6H4)CH2]2SnPh2-nCln (E = S, O, CH2; n= 0, 1, 2) and Intermolecular Chlorine-Tin Interactions in the meta- and para-Methoxy Isomers","Inorganic Chemistry","2010","49","","960","968","10.1021/ic901800c","","","0.71073","MoKα","","0.0552","0.0525","","","0.1307","0.1331","","","","","","1.147","","","","has coordinates","179224","2020-10-21","18:00:00",""
"4314761","15.6611","0.0017","13.0504","0.0015","9.1589","0.001","90","","90","","90","","1871.9","0.4","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[(bpb)Ru(NO)(OEt)]","","","- C20 H17 N5 O4 Ru -","- C20 H17 N5 O4 Ru -","- C80 H68 N20 O16 Ru4 -","4","0.5","","Nicole L. Fry; Michael J. Rose; David L. Rogow; Crystal Nyitray; Manpreet Kaur; Pradip K. Mascharak","Ruthenium Nitrosyls Derived from Tetradentate Ligands Containing Carboxamido-N and Phenolato-O Donors: Syntheses, Structures, Photolability, and Time Dependent Density Functional Theory Studies","Inorganic Chemistry","2010","49","","1487","1495","10.1021/ic9017129","","","0.71073","MoKα","","0.0261","0.0213","","","0.0513","0.0536","","","","","","1.05","","","","has coordinates,has disorder","179227","2020-10-21","18:00:00",""
"4314818","14.693","0.003","19.809","0.004","7.357","0.0015","90","","90","","90","","2141.3","0.8","173","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H13 Cl4 Fe N2 O4 -","- C17 H13 Cl4 Fe N2 O4 -","- C68 H52 Cl16 Fe4 N8 O16 -","4","0.5","","Rachel S. Crees; Marcus L. Cole; Lyall R. Hanton; Christopher J. Sumby","Synthesis of a Zinc(II) Imidazolium Dicarboxylate Ligand Metal-Organic Framework (MOF): a Potential Precursor to MOF-Tethered N-Heterocyclic Carbene Compounds","Inorganic Chemistry","2010","49","","1712","1719","10.1021/ic9021118","","","0.7107","synchrotron","","0.0981","0.0964","","","0.2239","0.2249","","","","","","1.094","","","","has coordinates","179228","2020-10-21","18:00:00",""
"4314840","7.401","0.0009","4.464","0.0006","23.734","0.003","90","","90","","90","","784.13","0.17","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca2.34 Eu0.66 Ge3 In2 -","- Ca2.337 Eu0.663 Ge3 In2 -","- Ca9.348 Eu2.652 Ge12 In8 -","4","0.5","","Tae-Soo You; Paul H. Tobash; Svilen Bobev","Mixed Cations and Structural Complexity in (Eu1-xCax)4In3Ge4 and (Eu1-xCax)3In2Ge3-The First Two Members of the Homologous Series A2[n+m]In2n+mGe2[n+m] (n,m= 1, 2, ...\ιnfty; A = Ca, Sr, Ba, Eu, or Yb)","Inorganic Chemistry","2010","49","","1773","1783","10.1021/ic902144h","","","0.71073","MoKα","","0.0479","0.032","","","0.0542","0.0596","","","","","","1.06","","","","has coordinates","179228","2020-10-21","18:00:00",""
"4314841","7.395","0.005","4.462","0.002","23.716","0.016","90","","90","","90","","782.5","0.8","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca2.44 Eu0.56 Ge3 In2 -","- Ca2.445 Eu0.555 Ge3 In2 -","- Ca9.78 Eu2.22 Ge12 In8 -","4","0.5","","Tae-Soo You; Paul H. Tobash; Svilen Bobev","Mixed Cations and Structural Complexity in (Eu1-xCax)4In3Ge4 and (Eu1-xCax)3In2Ge3-The First Two Members of the Homologous Series A2[n+m]In2n+mGe2[n+m] (n,m= 1, 2, ...\ιnfty; A = Ca, Sr, Ba, Eu, or Yb)","Inorganic Chemistry","2010","49","","1773","1783","10.1021/ic902144h","","","0.71073","MoKα","","0.1783","0.0733","","","0.109","0.1488","","","","","","0.945","","","","has coordinates","179228","2020-10-21","18:00:00",""
"4314842","7.3903","0.0018","4.4585","0.0012","23.699","0.006","90","","90","","90","","780.9","0.3","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca2.48 Eu0.52 Ge3 In2 -","- Ca2.483 Eu0.517 Ge3 In2 -","- Ca9.932 Eu2.068 Ge12 In8 -","4","0.5","","Tae-Soo You; Paul H. Tobash; Svilen Bobev","Mixed Cations and Structural Complexity in (Eu1-xCax)4In3Ge4 and (Eu1-xCax)3In2Ge3-The First Two Members of the Homologous Series A2[n+m]In2n+mGe2[n+m] (n,m= 1, 2, ...\ιnfty; A = Ca, Sr, Ba, Eu, or Yb)","Inorganic Chemistry","2010","49","","1773","1783","10.1021/ic902144h","","","0.71073","MoKα","","0.0696","0.0369","","","0.0675","0.0754","","","","","","0.963","","","","has coordinates","179228","2020-10-21","18:00:00",""
"4314843","7.3819","0.0019","4.4519","0.0012","23.684","0.006","90","","90","","90","","778.3","0.4","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca2.7 Eu0.3 Ge3 In2 -","- Ca2.705 Eu0.295 Ge3 In2 -","- Ca10.82 Eu1.18 Ge12 In8 -","4","0.5","","Tae-Soo You; Paul H. Tobash; Svilen Bobev","Mixed Cations and Structural Complexity in (Eu1-xCax)4In3Ge4 and (Eu1-xCax)3In2Ge3-The First Two Members of the Homologous Series A2[n+m]In2n+mGe2[n+m] (n,m= 1, 2, ...\ιnfty; A = Ca, Sr, Ba, Eu, or Yb)","Inorganic Chemistry","2010","49","","1773","1783","10.1021/ic902144h","","","0.71073","MoKα","","0.0724","0.037","","","0.0665","0.0738","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315009","12.6577","0.0001","6.3095","0.0001","10.4161","0.0001","90","","90","","90","","831.869","0.017","423","","423","","","","","","","","","3","P n m a","-P 2ac 2n","62","gamma_(MoO2)2P2O7","","","- Mo2 O11 P2 -","- Mo2 O11 P2 -","- Mo8 O44 P8 -","4","0.5","","Sarah E. Lister; Anne Soleilhavoup; Ray L. Withers; Paul Hodgkinson; John S. O. Evans","Structures and Phase Transitions in (MoO2)2P2O7","Inorganic Chemistry","2010","49","","2290","2301","10.1021/ic902166j","","","0.35285","synchrotron","","0.0778","","","","","","","","","","","","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4315023","10.464","0.003","21.617","0.006","7.976","0.002","90","","90","","90","","1804.2","0.9","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H19 N3 O4 U -","- C18 H19 N3 O4 U -","- C72 H76 N12 O16 U4 -","4","0.5","","Koichiro Takao; Masaru Kato; Shinobu Takao; Akira Nagasawa; Gert Bernhard; Christoph Hennig; Yasuhisa Ikeda","Molecular Structure and Electrochemical Behavior of Uranyl(VI) Complex with Pentadentate Schiff Base Ligand: Prevention of Uranyl(V) Cation-Cation Interaction by Fully Chelating Equatorial Coordination Sites","Inorganic Chemistry","2010","49","","2349","2359","10.1021/ic902225f","","","0.71075","MoKα","","0.0368","0.0333","","","0.0769","0.078","","","","","","1.136","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4315096","8.5375","0.0007","12.7829","0.0012","8.3346","0.0005","90","","90","","90","","909.59","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- B Cs Fe O11 P3 -","- B Cs Fe O11 P3 -","- B4 Cs4 Fe4 O44 P12 -","4","0.5","","Weilong Zhang; Wendan Cheng; Hao Zhang; Lei Geng; Yeyu Li; Chensheng Lin; Zhangzhen He","Syntheses and Characterizations of Cs2Cr3(BP4O14)(P4O13) and CsFe(BP3O11) Compounds with Novel Borophosphate Anionic Partial Structures","Inorganic Chemistry","2010","49","","2550","2556","10.1021/ic902463t","","","0.71073","MoKα","","0.0214","0.021","","","0.047","0.0471","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315126","18.4023","0.0003","6.932","0.0001","9.9505","0.0002","90","","90","","90","","1269.33","0.04","90","2","90","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,4-dihydro-1,10-phenanthrolin-1-yl-methyldichlorosilane","","- C13 H12 Cl2 N2 Si -","- C13 H12 Cl2 N2 Si -","- C52 H48 Cl8 N8 Si4 -","4","0.5","","Gerrit W. Fester; Jana Eckstein; Daniela Gerlach; Jörg Wagler; Erica Brendler; Edwin Kroke","Reactions of Hydridochlorosilanes with 2,2'-Bipyridine and 1,10-Phenanthroline: Complexation versus Dismutation and Metal-Catalyst-Free 1,4-Hydrosilylation","Inorganic Chemistry","2010","49","","2667","2673","10.1021/ic901620e","","","0.71073","MoKα","","0.0388","0.0323","","","0.0914","0.0946","","","","","","1.075","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4315189","17.124","0.004","5.5598","0.0012","6.4823","0.0014","90","","90","","90","","617.2","0.2","298","0.2","298","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cl2 O3 Sb2 Zn -","- Cl2 O3 Sb2 Zn -","- Cl8 O12 Sb8 Zn4 -","4","0.5","","Vinna Jo; Min Kyung Kim; Dong Woo Lee; Il-Wun Shim; Kang Min Ok","Lone Pairs as Chemical Scissors in New Antimony Oxychlorides, Sb2ZnO3Cl2 and Sb16Cd8O25Cl14","Inorganic Chemistry","2010","49","","2990","2995","10.1021/ic902493r","","","0.71073","MoKα","","0.0366","0.0347","","","0.0886","0.0902","","","","","","1.136","","","","has coordinates","179231","2020-10-21","18:00:00",""
"4315214","23.764","0.005","16.231","0.003","10.373","0.002","90","","90","","90","","4001","1.4","133","2","133","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C37 H50 Fe N4 O4 Si Sn -","- C37 H50 Fe N4 O4 Si Sn -","- C148 H200 Fe4 N16 O16 Si4 Sn4 -","4","0.5","","Anukul Jana; Herbert W. Roesky; Carola Schulzke; Prinson P. Samuel","An Efficient Route for the Synthesis of a Tin(II) Substituted Carbodiimide from a Diazo Compound","Inorganic Chemistry","2010","49","","3461","3464","10.1021/ic100031d","","","0.71073","MoKα","","0.0502","0.0421","","","0.1049","0.1091","","","","","","1.021","","","","has coordinates,has disorder","179232","2020-10-21","18:00:00",""
"4315226","12.6724","0.0011","11.4443","0.001","7.5818","0.0007","90","","90","","90","","1099.56","0.17","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","F5 Xe Os2 O6 F5","","","- F10 O6 Os2 Xe -","- F10 O6 Os2 Xe -","- F40 O24 Os8 Xe4 -","4","0.5","","Michael J. Hughes; Hélène P. A. Mercier; Gary J. Schrobilgen","Syntheses, Raman Spectra, and X-ray Crystal Structures of [XeF5][μ-F(OsO3F2)2] and [M][OsO3F3] (M = XeF5+, Xe2F11+)","Inorganic Chemistry","2010","49","","3501","3515","10.1021/ic100062x","","","0.71073","MoKα","","0.0351","0.0273","","","0.0477","0.0486","","","","","","1.417","","","","has coordinates","179232","2020-10-21","18:00:00",""
"4315228","9.247","0.0003","15.1769","0.0005","8.1192","0.0002","90","","90","","90","","1139.45","0.06","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Xe2 F11 Os O3 F3","","","- F14 O3 Os Xe2 -","- F14 O3 Os Xe2 -","- F56 O12 Os4 Xe8 -","4","0.5","","Michael J. Hughes; Hélène P. A. Mercier; Gary J. Schrobilgen","Syntheses, Raman Spectra, and X-ray Crystal Structures of [XeF5][μ-F(OsO3F2)2] and [M][OsO3F3] (M = XeF5+, Xe2F11+)","Inorganic Chemistry","2010","49","","3501","3515","10.1021/ic100062x","","","0.71073","MoKα","","0.0274","0.0249","","","0.0597","0.0604","","","","","","1.486","","","","has coordinates","179232","2020-10-21","18:00:00",""
"4315251","15.5454","0.001","26.4582","0.0011","14.0764","0.0007","90","","90","","90","","5789.7","0.5","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C46 H43 B4 Cl3 Co2 N14 O2 -","- C46 H43 B4 Cl3 Co2 N14 O2 -","- C184 H172 B16 Cl12 Co8 N56 O8 -","4","0.5","","Elena V. Mutseneck; Susanne Bieller; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Fourth Generation Scorpionates: Coordination Behavior of a New Class of Conformationally Flexible Mixed-Donor (Pyrazol-1-yl)borates","Inorganic Chemistry","2010","49","","3540","3552","10.1021/ic100104t","","","0.71073","MoKα","","0.0699","0.0523","","","0.1537","0.1633","","","","","","1.014","","","","has coordinates","179232","2020-10-21","18:00:00",""
"4315269","10.449","0.002","31.394","0.005","6.6452","0.0014","90","","90","","90","","2179.9","0.7","143","1","143","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H34 B10 Si2 -","- C10 H34 B10 Si2 -","- C40 H136 B40 Si8 -","4","0.5","","Shahana Chatterjee; Patrick J. Carroll; Larry G. Sneddon","Metal-Catalyzed Decaborane-Alkyne Hydroboration Reactions: Efficient Routes to Alkenyldecaboranes","Inorganic Chemistry","2010","49","","3095","3097","10.1021/ic100323e","","","0.71073","MoKα","","0.0619","0.0581","","","0.145","0.1476","","","","","","1.089","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4315311","18.607","0.003","8.4404","0.0012","21.682","0.003","90","","90","","90","","3405.2","0.9","203","2","203","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H52 N3 Si6 U -","- C18 H52 N3 Si6 U -","- C72 H208 N12 Si24 U4 -","4","0.5","","Ilia Korobkov; Sandro Gambarotta","Ligand Metalation in the Reactivity of a Tetravalent Uranium Amides","Inorganic Chemistry","2010","49","","3409","3418","10.1021/ic902567m","","","0.71073","MoKα","","0.0844","0.0448","","","0.0752","0.0848","","","","","","1.031","","","","has coordinates,has disorder","179233","2020-10-21","18:00:00",""
"4315376","11.6064","0.0008","30.002","0.002","10.6924","0.0007","90","","90","","90","","3723.3","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H60 N O5 Re -","- C36 H60 N O5 Re -","- C144 H240 N4 O20 Re4 -","4","0.5","","Cameron A. Lippert; Jake D. Soper","Deoxygenation of Nitroxyl Radicals by Oxorhenium(V) Complexes with Redox-Active Ligands","Inorganic Chemistry","2010","49","","3682","3684","10.1021/ic9024684","","","0.71073","MoKα","","0.078","0.0494","","","0.0972","0.1093","","","","","","1.041","","","","has coordinates","179233","2020-10-21","18:00:00",""
"4315470","16.0509","0.0008","3.8646","0.0001","13.9514","0.0007","90","","90","","90","","865.41","0.07","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","Molybdenum_difluoride_dioxide","","","- F2 Mo O2 -","- F2 Mo O2 -","- F24 Mo12 O24 -","12","1.5","","Hashem Shorafa; Halil Ficicioglu; Farhad Tamadon; Frank Girgsdies; Konrad Seppelt","Molybdenum Difluoride Dioxide, MoO2F2","Inorganic Chemistry","2010","49","","4263","4267","10.1021/ic1000864","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315499","7.4845","0.001","14.833","0.002","7.8087","0.0011","90","","90","","90","","866.9","0.2","273","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ga0.63 Gd5 Si3.38 -","- Ga0.624 Gd5 Si3.376 -","- Ga2.496 Gd20 Si13.504 -","4","0.5","","Hui Wang; Sumohan Misra; Fei Wang; Gordon J. Miller","Structural and Magnetic Characteristics of Gd5GaxSi4-x","Inorganic Chemistry","2010","49","","4586","4593","10.1021/ic100142u","","","0.71073","MoKα","","0.0283","0.0233","","","0.0491","0.0507","","","","","","1.078","","","","has coordinates","179234","2020-10-21","18:00:00",""
"4315500","7.4808","0.0011","14.863","0.002","7.825","0.0012","90","","90","","90","","870","0.2","273","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ga0.81 Gd5 Si3.18 -","- Ga0.816 Gd5 Si3.184 -","- Ga3.264 Gd20 Si12.736 -","4","0.5","","Hui Wang; Sumohan Misra; Fei Wang; Gordon J. Miller","Structural and Magnetic Characteristics of Gd5GaxSi4-x","Inorganic Chemistry","2010","49","","4586","4593","10.1021/ic100142u","","","0.71073","MoKα","","0.0487","0.0306","","","0.0537","0.059","","","","","","1.04","","","","has coordinates","179235","2020-10-21","18:00:00",""
"4315501","7.4812","0.0015","14.884","0.003","7.8353","0.0015","90","","90","","90","","872.5","0.3","273","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ga0.99 Gd5 Si3.01 -","- Ga0.989 Gd5 Si3.011 -","- Ga3.956 Gd20 Si12.044 -","4","0.5","","Hui Wang; Sumohan Misra; Fei Wang; Gordon J. Miller","Structural and Magnetic Characteristics of Gd5GaxSi4-x","Inorganic Chemistry","2010","49","","4586","4593","10.1021/ic100142u","","","0.71073","MoKα","","0.0639","0.0365","","","0.0608","0.0681","","","","","","1.005","","","","has coordinates","179235","2020-10-21","18:00:00",""
"4315667","7.7995","0.0002","14.7327","0.0004","9.521","0.0002","90","","90","","90","","1094.04","0.05","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","F3 O2 Os N C2 H3 2(C2 H3 N)","","","- C6 H9 F2 N3 O3 Os -","- C6 H9 F2 N3 O3 Os -","- C24 H36 F8 N12 O12 Os4 -","4","0.5","","Michael J. Hughes; Michael Gerken; Hélène P. A. Mercier; Gary J. Schrobilgen","Syntheses and Multi-NMR Study of fac- and mer-OsO3F2(NCCH3) and the X-ray Crystal Structure (n= 2) and Raman Spectrum (n= 0) of fac-OsO3F2(NCCH3).nCH3CN","Inorganic Chemistry","2010","49","","4768","4780","10.1021/ic100383p","","","0.71073","MoKα","","0.0215","0.0178","","","0.0403","0.0413","","","","","","1.097","","","","has coordinates","179236","2020-10-21","18:00:00",""
"4315700","12.5628","0.0011","3.5645","0.0003","6.2015","0.0005","90","","90","","90","","277.7","0.04","140","1","140","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cl H2 O2 Tm -","- Cl H2 O2 Tm -","- Cl4 H8 O8 Tm4 -","4","0.5","","Ralph A. Zehnder; David L. Clark; Brian L. Scott; Robert J. Donohoe; Phillip D. Palmer; Wolfgang H. Runde; David E. Hobart","Investigation of the Structural Properties of an Extended Series of Lanthanide Bis-hydroxychlorides Ln(OH)2Cl (Ln = Nd-Lu, except Pm and Sm)","Inorganic Chemistry","2010","49","","4781","4790","10.1021/ic901617c","","","0.71073","MoKα","","0.0203","0.017","","","0.0447","0.0466","","","","","","1.137","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315701","12.638","0.008","3.556","0.002","6.221","0.004","90","","90","","90","","279.6","0.3","140","1","140","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cl H2 O2 Yb -","- Cl H2 O2 Yb -","- Cl4 H8 O8 Yb4 -","4","0.5","","Ralph A. Zehnder; David L. Clark; Brian L. Scott; Robert J. Donohoe; Phillip D. Palmer; Wolfgang H. Runde; David E. Hobart","Investigation of the Structural Properties of an Extended Series of Lanthanide Bis-hydroxychlorides Ln(OH)2Cl (Ln = Nd-Lu, except Pm and Sm)","Inorganic Chemistry","2010","49","","4781","4790","10.1021/ic901617c","","","0.71073","MoKα","","0.0777","0.0679","","","0.2286","0.235","","","","","","1.616","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315702","12.609","0.003","3.5093","0.0008","6.1839","0.0014","90","","90","","90","","273.63","0.11","140","1","140","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cl H2 Lu O2 -","- Cl H2 Lu O2 -","- Cl4 H8 Lu4 O8 -","4","0.5","","Ralph A. Zehnder; David L. Clark; Brian L. Scott; Robert J. Donohoe; Phillip D. Palmer; Wolfgang H. Runde; David E. Hobart","Investigation of the Structural Properties of an Extended Series of Lanthanide Bis-hydroxychlorides Ln(OH)2Cl (Ln = Nd-Lu, except Pm and Sm)","Inorganic Chemistry","2010","49","","4781","4790","10.1021/ic901617c","","","0.71073","MoKα","","0.0309","0.0259","","","0.0754","0.0782","","","","","","1.175","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315762","12.7484","0.0006","19.6938","0.0009","10.1107","0.0005","90","","90","","90","","2538.4","0.2","123","1","123","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H50 N P3 Ru -","- C20 H50 N P3 Ru -","- C80 H200 N4 P12 Ru4 -","4","0.5","","Anja Friedrich; Markus Drees; Martina Käss; Eberhardt Herdtweck; Sven Schneider","Ruthenium Complexes with Cooperative PNP-Pincer Amine, Amido, Imine, and Enamido Ligands: Facile Ligand Backbone Functionalization Processes","Inorganic Chemistry","2010","49","","5482","5494","10.1021/ic100358m","","","0.71073","MoKα","","0.0183","0.0167","","","0.0448","0.0473","","","","","","1.126","","","","has coordinates","179237","2020-10-21","18:00:00",""
"4315771","29.62","0.002","9.5359","0.0005","7.9455","0.0005","90","","90","","90","","2244.2","0.2","90","0.5","90","0.5","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C12 H25 F12 N4 O3 P2 Re -","- C12 H25 F12 N4 O3 P2 Re -","- C48 H100 F48 N16 O12 P8 Re4 -","4","0.5","","Theshini Perera; Patricia A. Marzilli; Frank R. Fronczek; Luigi G. Marzilli","NH NMR Shifts of New Structurally Characterized fac-[Re(CO)3(polyamine)]n+ Complexes Probed via Outer-Sphere Hydrogen-Bonding Interactions to Anions, Including the Paramagnetic [ReIVBr6]2- Anion","Inorganic Chemistry","2010","49","","5560","5572","10.1021/ic100386c","","","0.71073","MoKα","","0.03","0.023","","","0.054","0.057","","","","","","1.042","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4315806","8.0268","0.0006","16.3958","0.0013","14.4299","0.0012","90","","90","","90","","1899.1","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","(SP-4-1)-Dichloridobis(4-heptanone oxime-kappaN)platinum(II)","","- C14 H30 Cl2 N2 O2 Pt -","- C14 H30 Cl2 N2 O2 Pt -","- C56 H120 Cl8 N8 O8 Pt4 -","4","0.5","","Yulia Yu. Scaffidi-Domianello; Kristof Meelich; Michael A. Jakupec; Vladimir B. Arion; Vadim Yu. Kukushkin; Markus Galanski; Bernhard K. Keppler","Novel Cis- and Trans-Configured Bis(oxime)platinum(II) Complexes: Synthesis, Characterization, and Cytotoxic Activity","Inorganic Chemistry","2010","49","","5669","5678","10.1021/ic100584b","","","0.71073","MoKα","","0.0273","0.0187","","","0.0374","0.04","","","","","","0.989","","","","has coordinates","179238","2020-10-21","18:00:00",""
"4315914","17.013","0.003","10.7097","0.0015","9.059","0.0013","90","","90","","90","","1650.6","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- O18 Pb2 Se5 V3 -","- O18 Pb2 Se5 V3 -","- O72 Pb8 Se20 V12 -","4","0.5","","Pei-Xin Li; Fang Kong; Chun-Li Hu; Na Zhao; Jiang-Gao Mao","A Series of New Phases Containing Three Different Asymmetric Building Units","Inorganic Chemistry","2010","49","","5943","5952","10.1021/ic100462r","","","0.71073","MoKα","","0.0222","0.0198","","","0.0471","0.0478","","","","","","1.053","","","","has coordinates","179239","2020-10-21","18:00:00",""
"4315963","9.5811","0.0009","15.0297","0.0015","12.0455","0.0012","90","","90","","90","","1734.6","0.3","143","1","143","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H24 B10 Si2 -","- C8 H24 B10 Si2 -","- C32 H96 B40 Si8 -","4","0.5","","Marta Guron; Xiaolan Wei; Patrick J. Carroll; Larry G. Sneddon","Ruthenium-Catalyzed Metathesis Reactions of ortho- and meta-Dialkenyl-Carboranes: Efficient Ring-Closing and Acyclic Diene Polymerization Reactions","Inorganic Chemistry","2010","49","","6139","6147","10.1021/ic100801y","","","0.71073","MoKα","","0.0388","0.0351","","","0.0937","0.0986","","","","","","1.026","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4315964","11.252","0.003","11.2","0.003","15.266","0.005","90","","90","","90","","1923.9","1","143","1","143","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H28 B10 Si2 -","- C10 H28 B10 Si2 -","- C40 H112 B40 Si8 -","4","0.5","","Marta Guron; Xiaolan Wei; Patrick J. Carroll; Larry G. Sneddon","Ruthenium-Catalyzed Metathesis Reactions of ortho- and meta-Dialkenyl-Carboranes: Efficient Ring-Closing and Acyclic Diene Polymerization Reactions","Inorganic Chemistry","2010","49","","6139","6147","10.1021/ic100801y","","","0.71069","MoKα","","0.1246","0.1007","","","0.2673","0.2944","","","","","","1.12","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4316057","9.6898","0.0015","6.2293","0.0013","11.67","0.002","90","","90","","90","","704.4","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B Ba S4 Sb -","- B Ba S4 Sb -","- B4 Ba4 S16 Sb4 -","4","0.5","","Lei Geng; Wen-Dan Cheng; Wei-Long Zhang; Chen-Sheng Lin; Hao Zhang; Ye-Yu Li; Zhang-Zhen He","BaM(BS3)S (M = Sb, Bi): Two New Thioborate Compounds with One-Dimensional Polymeric Chain Structure","Inorganic Chemistry","2010","49","","6609","6615","10.1021/ic100535q","","","0.71073","MoKα","","0.0182","0.0171","","","0.0415","0.042","","","","","","1.104","","","","has coordinates","179240","2020-10-21","18:00:00",""
"4316087","10.724","0.003","15.738","0.004","17.31","0.004","90","","90","","90","","2921.5","1.3","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","1,8-bis-Me-3,2-HOPO-fluorene, uranyl complex","","","- C29 H26 N4 O10.6 S U -","- C29 H26 N4 O10.59 S U -","- C116 H104 N16 O42.36 S4 U4 -","4","0.5","","Géza Szigethy; Kenneth N. Raymond","Influence of Linker Geometry on Uranyl Complexation by Rigidly Linked Bis(3-hydroxy-N-methyl-pyridin-2-one)","Inorganic Chemistry","2010","49","","6755","6765","10.1021/ic1007878","","","0.7749","synchrotron","","0.0493","0.0438","","","0.1207","0.1241","","","","","","1.143","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4316102","13.035","0.003","7.998","0.002","10.238","0.002","90","","90","","90","","1067.4","0.4","157","2","157","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","tetramethylammonium hdimethyltetrafluorophosphate","","- C6 H18 F4 N P -","- C6 H18 F4 N P -","- C24 H72 F16 N4 P4 -","4","0.5","","Christian Hohenstein; Andreas Kornath; Frank Neumann; Ralf Ludwig","Preparation and Properties of Dimethyltetrafluorophosphate","Inorganic Chemistry","2010","49","","6421","6427","10.1021/ic902438e","","x-ray","0.71069","MoKα","","0.0784","0.0325","","0.2132","0.0797","","","","0.945","1.088","1.088","","","","","has coordinates","179241","2020-10-21","18:00:00",""
"4316151","11.0604","0.0003","15.2102","0.0004","27.2689","0.0008","90","","90","","90","","4587.5","0.2","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C50 H39 N7 O7 Re2 -","- C50 H39 N7 O7 Re2 -","- C200 H156 N28 O28 Re8 -","4","0.5","","Yi-Hsiu Tseng; Dibyendu Bhattacharya; Shih-Ming Lin; P. Thanasekaran; Jing-Yun Wu; Li-Wei Lee; M. Sathiyendiran; Mei-Lin Ho; Min-Wen Chung; Kung-Chung Hsu; Pi-Tai Chou; Kuang-Lieh Lu","Highly Emissive Cyclometalated Rhenium Metallacycles: Structure-Luminescence Relationship","Inorganic Chemistry","2010","49","","6805","6807","10.1021/ic100882u","","","0.71073","MoKα","","0.119","0.0866","","","0.2289","0.257","","","","","","1.177","","","","has coordinates,has disorder","179241","2020-10-21","18:00:00",""
"4316162","6.63559","0.00015","13.7327","0.0003","15.5183","0.0004","90","","90","","90","","1414.1","0.06","153.1","","153.1","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C7 H14 Au F3 N2 O5 S -","- C7 H14 Au F3 N2 O5 S -","- C28 H56 Au4 F12 N8 O20 S4 -","4","0.5","","Masashi Saitoh; Alan L. Balch; Junpei Yuasa; Tsuyoshi Kawai","Effects of Counter Anions on Intense Photoluminescence of 1-D Chain Gold(I) Complexes","Inorganic Chemistry","2010","49","","7129","7134","10.1021/ic100948m","","","0.71075","MoKα","","","0.0218","","","","0.0573","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316163","19.492","0.0011","6.6616","0.0003","10.3329","0.0005","90","","90","","90","","1341.71","0.12","153.1","","153.1","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H14 Au F6 N2 O2 P -","- C6 H14 Au F6 N2 O2 P -","- C24 H56 Au4 F24 N8 O8 P4 -","4","0.5","","Masashi Saitoh; Alan L. Balch; Junpei Yuasa; Tsuyoshi Kawai","Effects of Counter Anions on Intense Photoluminescence of 1-D Chain Gold(I) Complexes","Inorganic Chemistry","2010","49","","7129","7134","10.1021/ic100948m","","","0.71075","MoKα","","","0.0422","","","","0.1064","","","","","","1.282","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316164","6.5698","0.0003","13.5474","0.0005","14.9227","0.0007","90","","90","","90","","1328.18","0.1","153.1","","153.1","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H14 Au F3 N2 O4 -","- C8 H14 Au F3 N2 O4 -","- C32 H56 Au4 F12 N8 O16 -","4","0.5","","Masashi Saitoh; Alan L. Balch; Junpei Yuasa; Tsuyoshi Kawai","Effects of Counter Anions on Intense Photoluminescence of 1-D Chain Gold(I) Complexes","Inorganic Chemistry","2010","49","","7129","7134","10.1021/ic100948m","","","0.71075","MoKα","","","0.0357","","","","0.0942","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316165","18.7988","0.0006","6.59111","0.00018","9.7619","0.0004","90","","90","","90","","1209.55","0.07","153.1","","153.1","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H14 Au Cl N2 O6 -","- C6 H14 Au Cl N2 O6 -","- C24 H56 Au4 Cl4 N8 O24 -","4","0.5","","Masashi Saitoh; Alan L. Balch; Junpei Yuasa; Tsuyoshi Kawai","Effects of Counter Anions on Intense Photoluminescence of 1-D Chain Gold(I) Complexes","Inorganic Chemistry","2010","49","","7129","7134","10.1021/ic100948m","","","0.71075","MoKα","","","0.0354","","","","0.0923","","","","","","1.125","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316166","17.9751","0.0007","6.5219","0.0003","9.6332","0.0005","90","","90","","90","","1129.32","0.09","153.1","","153.1","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H14 Au I N2 O2 -","- C6 H14 Au I N2 O2 -","- C24 H56 Au4 I4 N8 O8 -","4","0.5","","Masashi Saitoh; Alan L. Balch; Junpei Yuasa; Tsuyoshi Kawai","Effects of Counter Anions on Intense Photoluminescence of 1-D Chain Gold(I) Complexes","Inorganic Chemistry","2010","49","","7129","7134","10.1021/ic100948m","","","0.71075","MoKα","","","0.0278","","","","0.069","","","","","","1.153","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316188","10.0462","0.0006","7.4699","0.0005","17.7763","0.0011","90","","90","","90","","1334.01","0.15","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Silver Uranyl Germamante hydrate","","","- Ag2 Ge2 O16 U3 -","- Ag2 Ge2 O16 U3 -","- Ag8 Ge8 O64 U12 -","4","0.5","","Jie Ling; Jessica M. Morrison; Matthew Ward; Kelsey Poinsatte-Jones; Peter C. Burns","Syntheses, Structures, and Characterization of Open-Framework Uranyl Germanates","Inorganic Chemistry","2010","49","","7123","7128","10.1021/ic1010242","","","0.71073","MoKα","","0.0271","0.0206","","","0.0437","0.0449","","","","","","0.997","","","","has coordinates","179241","2020-10-21","18:00:00",""
"4316264","10.657","0.0013","29.284","0.004","11.375","0.0011","90","","90","","90","","3549.9","0.7","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C34 H48 Cl N2 O3 V -","- C34 H48 Cl N2 O3 V -","- C136 H192 Cl4 N8 O12 V4 -","4","0.5","","Sónia Barroso; Pedro Adão; Filipe Madeira; M. Teresa Duarte; João Costa Pessoa; Ana M. Martins","Vanadium Diaminebis(phenolate) Complexes: Syntheses, Structures, and Reactivity in Sulfoxidation Catalysis","Inorganic Chemistry","2010","49","","7452","7463","10.1021/ic1007704","","x-ray","0.71073","MoKα","","0.1185","0.0736","","","0.2053","0.227","","","","","","1.092","","","","has coordinates,has disorder","179242","2020-10-21","18:00:00",""
"4316277","4.4714","0.0005","6.8762","0.0007","19.18","0.002","90","","90","","90","","589.71","0.11","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Chromium(II) Methyl Phosphonate Dihydrate","","- C H5 Cr O5 P -","- C0.5 H2.5 Cr0.5 O2.5 P0.5 -","- C4 H20 Cr4 O20 P4 -","8","1","","Elvira M. Bauer; Carlo Bellitto; Patrizia Imperatori; Guido Righini; Marcello Colapietro; Gustavo Portalone; Carlos J. Gómez-García","A Novel 1D-AF Hybrid Organic-Inorganic Chromium(II) Methyl Phosphonate Dihydrate: Synthesis, X-Ray Crystal and Molecular Structure, and Magnetic Properties","Inorganic Chemistry","2010","49","","7472","7477","10.1021/ic1009362","","","0.71073","MoKα","","0.0541","0.0402","","","0.1032","0.1078","","","","","","1.157","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316549","9.563","0.001","6.882","0.001","5.316","0.001","90","","90","","90","","349.86","0.09","293","1","293","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Mn Na O4 V -","- Mn Na O4 V -","- Mn4 Na4 O16 V4 -","4","0.5","","Hamdi Ben Yahia; Etienne Gaudin; Khalid Boulahya; Jacques Darriet; Won-Joon Son; Myung-Hwan Whangbo","Synthesis and Characterization of the Crystal Structure and Magnetic Properties of the Ternary Manganese Vanadate NaMnVO4","Inorganic Chemistry","2010","49","","8578","8582","10.1021/ic101180h","","","0.71069","MoKα","","0.0584","0.0304","","","0.0538","0.0615","","","","1.04","1.04","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316632","7.701","0.003","12.409","0.004","14.026","0.006","90","","90","","90","","1340.3","0.9","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","trichloro(1,2-bis(methylselanyl)benzene)bismuth(III)","","- C8 H10 Bi Cl3 Se2 -","- C8 H10 Bi Cl3 Se2 -","- C32 H40 Bi4 Cl12 Se8 -","4","0.5","","William Levason; Seema Maheshwari; Raju Ratnani; Gillian Reid; Michael Webster; Wenjian Zhang","Structural Diversity in Supramolecular Complexes of MCl3 (M = As, Sb, Bi) with Constrained Thio- and Seleno-Ether Ligands","Inorganic Chemistry","2010","49","","9036","9048","10.1021/ic101296e","","","0.71073","MoKα","","0.0558","0.0418","","","0.0822","0.0905","","","","","","1.135","","","","has coordinates,has disorder","179246","2020-10-21","18:00:00",""
"4316710","16.9117","0.0005","8.3292","0.0003","13.0995","0.0004","90","","90","","90","","1845.21","0.1","294","2","294","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 Cd6 Cl4 N24 O -","- C16 H18 Cd6 Cl4 N24 O -","- C32 H36 Cd12 Cl8 N48 O2 -","2","0.25","","Gang Wei; Yu-Feng Shen; Yong-Ru Li; Xiao-Chun Huang","Synthesis, Crystal Structure, and Photoluminescent Properties of Ternary Cd(II)/Triazolate/Chloride System","Inorganic Chemistry","2010","49","","9191","9199","10.1021/ic100610t","","","0.71073","MoKα","","0.0233","0.0222","","","0.0563","0.0581","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4316860","5.431","0.002","5.797","0.002","13.8","0.004","90","","90","","90","","434.5","0.3","150","2","150","2","","","","","","","","3","P n m a","-P 2ac 2n","62","carbonyl diazide","","","- C N6 O -","- C N6 O -","- C4 N24 O4 -","4","0.5","","Xiaoqing Zeng; Michael Gerken; Helmut Beckers; Helge Willner","Synthesis and Characterization of Carbonyl Diazide, OC(N3)2","Inorganic Chemistry","2010","49","","9694","9699","10.1021/ic1015143","","","1.54184","CuKα","","0.0732","0.0588","","","0.218","0.224","","","","","","1.222","","","","has coordinates","179248","2020-10-21","18:00:00",""
"4316892","11.5208","0.0003","7.0607","0.0002","27.043","0.0008","90","","90","","90","","2199.81","0.11","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cs1.5 H2 O10.5 Si4 Tb0.5 -","- Cs1.5 O10.5 Si4 Tb0.5 -","- Cs12 O84 Si32 Tb4 -","8","1","","Xinguang Zhao; Jiyang Li; Peng Chen; Yi Li; Qingxin Chu; Xiaoyang Liu; Jihong Yu; Ruren Xu","New Lanthanide Silicates Based on Anionic Silicate Chain, Layer, and Framework Prepared under High-Temperature and High-Pressure Conditions","Inorganic Chemistry","2010","49","","9833","9838","10.1021/ic1006154","","","0.71073","MoKα","","0.0509","0.0425","","","0.1086","0.1136","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316946","14.707","0.003","7.2965","0.0015","18.477","0.004","90","","90","","90","","1982.8","0.7","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H32 Br3 Co N6 O -","- C12 H30 Br3 Co N6 O -","- C48 H120 Br12 Co4 N24 O4 -","4","0.5","","Christian Neis; David Petry; Alexandre Demangeon; Bernd Morgenstern; Dirk Kuppert; Jochen Huppert; Stefan Stucky; Kaspar Hegetschweiler","Facially Coordinating Triamine Ligands with a Cyclic Backbone: Some Structure-Stability Correlations","Inorganic Chemistry","2010","49","","10092","10107","10.1021/ic101360d","","","0.71073","MoKα","","0.0379","0.0327","","","0.0766","0.0786","","","","","","0.999","","","","has coordinates","179249","2020-10-21","18:00:00",""
"4316947","16.8754","0.0007","8.0046","0.0003","18.9265","0.0008","90","","90","","90","","2556.61","0.18","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13.8 H33.2 Cl3 Fe N6.8 O12.2 -","- C12 H30 Cl3 Fe N6 O12 -","- C48 H120 Cl12 Fe4 N24 O48 -","4","0.5","","Christian Neis; David Petry; Alexandre Demangeon; Bernd Morgenstern; Dirk Kuppert; Jochen Huppert; Stefan Stucky; Kaspar Hegetschweiler","Facially Coordinating Triamine Ligands with a Cyclic Backbone: Some Structure-Stability Correlations","Inorganic Chemistry","2010","49","","10092","10107","10.1021/ic101360d","","","0.71073","MoKα","","0.0589","0.05","","","0.146","0.1538","","","","","","1.069","","","","has coordinates,has disorder","288183","2023-12-08","14:42:59",""
"4316985","18.658","0.002","23.714","0.003","40.864","0.005","90","","90","","90","","18081","4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Mo40 O140 S8 -","- Mo40 O140 S8 -","- Mo160 O560 S32 -","4","0.5","","Vladimir S. Korenev; Antoine G. Boulay; Anne Dolbecq; Maxim N. Sokolov; Akram Hijazi; Sébastien Floquet; Vladimir P. Fedin; Emmanuel Cadot","A New Oxomolybdate Component Extracted from the ""Virtual Dynamic Library"" Yielding the Macrocyclic Anion [(MoVI8O28)4(MoV2O2S2)4]24-","Inorganic Chemistry","2010","49","","9740","9742","10.1021/ic101545w","","","0.71073","MoKα","","0.143","0.0958","","","0.2606","0.2826","","","","","","1.08","","","","has coordinates","179249","2020-10-21","18:00:00",""
"4317003","6.844","0.0009","8.4306","0.0011","10.3471","0.0013","90","","90","","90","","597.02","0.13","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Uranyl methyl boronate","","","- C B O5 U -","- C B O5 U -","- C4 B4 O20 U4 -","4","0.5","","Shuao Wang; Evgeny V. Alekseev; Hannah M. Miller; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Boronic Acid Flux Synthesis and Crystal Growth of Uranium and Neptunium Boronates and Borates: A Low-Temperature Route to the First Neptunium(V) Borate","Inorganic Chemistry","2010","49","","9755","9757","10.1021/ic101678d","","","0.71073","MoKα","","0.0258","0.0206","","","0.0455","0.0475","","","","","","0.978","","","","has coordinates","179250","2020-10-21","18:00:00",""
"4317118","13.2905","0.0002","24.1141","0.0004","15.0699","0.0003","90","","90","","90","","4829.73","0.14","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C57 H42 N4 O10 Re2 -","- C57 H42 N4 O10 Re2 -","- C228 H168 N16 O40 Re8 -","4","0.5","","Dibyendu Bhattacharya; Malaichamy Sathiyendiran; Jing-Yun Wu; Che-Hao Chang; Sung-Chou Huang; Yu-Ling Zeng; Ching-Yao Lin; P. Thanasekaran; Bo-Chao Lin; Chao-Ping Hsu; Gene-Hsiang Lee; Shie-Ming Peng; Kuang-Lieh Lu","Quinonoid-Bridged Chair-Shaped Dirhenium(I) Metallacycles: Synthesis, Characterization, and Spectroelectrochemical Studies","Inorganic Chemistry","2010","49","","10264","10272","10.1021/ic9018794","","","0.71073","MoKα","","0.0443","0.0285","","","0.0715","0.0777","","","","","","1.036","","","","has coordinates","179251","2020-10-21","18:00:00",""
"4317196","11.407","0.003","5.7551","0.0019","5.975","0.0019","90","","90","","90","","392.2","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 F N O S -","- C2 F N O S -","- C8 F4 N4 O4 S4 -","4","0.5","","Luis A. Ramos; Sonia E. Ulic; Rosana M. Romano; Mauricio F. Erben; Christian W. Lehmann; Eduard Bernhardt; Helmut Beckers; Helge Willner; Carlos O. Della Védova","Vibrational Spectra, Crystal Structures, Constitutional and Rotational Isomerism of FC(O)SCN and FC(O)NCS","Inorganic Chemistry","2010","49","","11142","11157","10.1021/ic101741e","","","0.71073","MoKα","","0.0523","0.0487","","","0.1255","0.1284","","","","","","1.135","","","","has coordinates","179251","2020-10-21","18:00:00",""
"4317224","14.868","0.003","21.448","0.004","14.278","0.003","90","","90","","90","","4553.1","1.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H29 F20 Fe N9 P3 -","- C31 H29 F20 Fe N9 P3 -","- C124 H116 F80 Fe4 N36 P12 -","4","0.5","","Jeremy M. Smith; Jeffrey R. Long","First-Row Transition Metal Complexes of the Strongly Donating Pentadentate Ligand PY4Im","Inorganic Chemistry","2010","49","","11223","11230","10.1021/ic1018407","","","0.71073","MoKα","","0.0796","0.0626","","","0.1867","0.2","","","","","","1.086","","","","has coordinates,has disorder","179252","2020-10-21","18:00:00",""
"4317312","9.4873","0.0003","16.9434","0.0007","23.8591","0.0006","90","","90","","90","","3835.3","0.2","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H36 N4 O12 U -","- C40 H36 N4 O12 U -","- C160 H144 N16 O48 U4 -","4","0.5","","Massimo Cametti; Laura Ilander; Arto Valkonen; Martin Nieger; Maija Nissinen; Elisa Nauha; Kari Rissanen","Non-Centrosymmetric Tetrameric Assemblies of Tetramethylammonium Halides with Uranyl Salophen Complexes in the Solid State","Inorganic Chemistry","2010","49","","11473","11484","10.1021/ic101547r","","","0.71073","MoKα","","0.0566","0.0437","","","0.0869","0.0921","","","","","","1.091","","","","has coordinates,has disorder","179253","2020-10-21","18:00:00",""
"4317369","16.921","0.009","10.644","0.006","9.059","0.005","90","","90","","90","","1631.6","1.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- O18 Se5 Sr2 V3 -","- O18 Se5 Sr2 V3 -","- O72 Se20 Sr8 V12 -","4","0.5","","Su-Yun Zhang; Chun-Li Hu; Chuan-Fu Sun; Jiang-Gao Mao","Syntheses and Crystal Structures of a Series of Alkaline Earth Vanadium Selenites and Tellurites","Inorganic Chemistry","2010","49","","11627","11636","10.1021/ic1020737","","","0.71073","MoKα","","0.0254","0.0219","","","0.0469","0.0482","","","","","","1.077","","","","has coordinates","179253","2020-10-21","18:00:00",""
"4317386","16.931","0.001","22.368","0.003","7.937","0.002","90","","90","","90","","3005.8","0.9","253","2","253","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C23 H26 I N12 Na O -","- C23 H26 I N12 Na O -","- C92 H104 I4 N48 Na4 O4 -","4","0.5","","Daniel L. Reger; Christine A. Little; Mark D. Smith; Arnold L. Rheingold; Louise M. Liable-Sands; Glen P. A. Yap; Ilia A. Guzei","Syntheses and Solid State Structures of Tris(pyrazolyl)methane Complexes of Sodium, Potassium, Calcium, and Strontium: Comparison of Structures with Analogous Complexes of Lead(II)","Inorganic Chemistry","2002","41","","19","27","10.1021/ic010690n","","","0.71073","MoKα","","0.0635","0.0357","","0.08","0.0747","","","","0.857","1.037","1.037","","","","","has coordinates","179253","2020-10-21","18:00:00",""
"4317527","4.9213","0.0011","3.9865","0.0009","16.004","0.003","90","","90","","90","","313.98","0.12","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu Ge In -","- Eu Ge In -","- Eu4 Ge4 In4 -","4","0.5","","Jiang-Gao Mao; Joanna Goodey; Arnold M. Guloy","SrInGe and EuInGe: New Zintl Phases with an Unusual Anionic Network Derived from the ThSi2 Structure","Inorganic Chemistry","2002","41","","931","937","10.1021/ic0102891","","","0.71073","MoKα","","0.0345","0.0207","","0.042","0.0392","","","","1.007","1.055","1.055","","","","","has coordinates","179255","2020-10-21","18:00:00",""
"4317528","5.0213","0.0011","4.0455","0.0009","16.188","0.004","90","","90","","90","","328.84","0.13","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge In Sr -","- Ge In Sr -","- Ge4 In4 Sr4 -","4","0.5","","Jiang-Gao Mao; Joanna Goodey; Arnold M. Guloy","SrInGe and EuInGe: New Zintl Phases with an Unusual Anionic Network Derived from the ThSi2 Structure","Inorganic Chemistry","2002","41","","931","937","10.1021/ic0102891","","","0.71073","MoKα","","0.0643","0.0396","","0.0797","0.0738","","","","1.069","1.143","1.143","","","","","has coordinates","179255","2020-10-21","18:00:00",""
"4317533","12.959","0.003","15.783","0.004","24.795","0.007","90","","90","","90","","5071","2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","(SnPh2Cl2).H2O/[SnPh2Cl2.VO(3-MeOsalen)]","[Diphenyltin dichloride.aqua(1/1)/{diphenyltin dichloride.[N,N'-bis(3-methoxysalicylidene)ethane-1,2-diaminato]oxovan adium(IV)(1/1)}](1/1)","","- C44 H42 Cl8 N2 O6 Sn2 V -","- C44 H42 Cl8 N2 O6 Sn2 V -","- C176 H168 Cl32 N8 O24 Sn8 V4 -","4","0.5","","B. Cashin; D. Cunningham; P. Daly; P. McArdle; M. Munroe; N. Ní Chonchubhair","Donor Properties of the Vanadyl Ion: Reactions of Vanadyl Salicylaldimine β-Ketimine and Acetylacetonato Complexes with Groups 14 and 15 Lewis Acids","Inorganic Chemistry","2002","41","","773","782","10.1021/ic010366s","","","0.71069","MoKα","","0.0492","0.0385","","","0.1189","0.1252","","","","","","1.082","","","","has coordinates,has disorder","288183","2023-12-08","14:42:59",""
"4317540","22.113","0.003","17.181","0.002","11.6611","0.0014","90","","90","","90","","4430.3","1","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C38 H50 Cl2 N8 O12 Zn2 -","- C38 H50 Cl2 N8 O12 Zn2 -","- C152 H200 Cl8 N32 O48 Zn8 -","4","0.5","","Wei Huang; Shaohua Gou; Dahua Hu; Suchada Chantrapromma; Hoong-Kun Fun; Qingjin Meng","Formation of Molecular Ladder Elements with Macrocyclic Platforms via Linear Bifunctional Ligands","Inorganic Chemistry","2002","41","","864","868","10.1021/ic010407k","","","0.71073","MoKα","","0.1009","0.0615","","","0.185","0.2064","","","","","","1.012","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4317701","12.925","0.001","8.716","0.001","8.485","0.001","90","","90","","90","","955.87","0.17","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Tribromohydroxyphosphonium hexafluoroarsenate","","- As Br3 F6 H O P -","- As Br3 F6 H O P -","- As4 Br12 F24 H4 O4 P4 -","4","0.5","","Rolf Minkwitz; Markus Dzyk","Tribromohydroxyphosphonium Hexafluorometalate: Synthesis, Spectroscopic Characterization, and Crystal Structure of Br3POH+AsF6-","Inorganic Chemistry","2002","41","","1474","1477","10.1021/ic0109039","","","0.71069","MoKα","","0.0509","0.0322","","0.0799","0.0646","","","","0.97","0.939","0.939","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317718","20.3739","0.001","22.1686","0.0011","19.063","0.0009","90","","90","","90","","8610","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C83 H68 O7 Ru5 Sn5 -","- C83.04 H68.27 O7 Ru5 Sn5 -","- C332.16 H273.08 O28 Ru20 Sn20 -","4","0.5","","Richard D. Adams; O-Sung Kwon; Mark D. Smith","Insertion of a Bis(phosphine)platinum Group into the S-S Bond of Mn2(CO)7(μ-S2)","Inorganic Chemistry","2002","41","","1658","1661","10.1021/ic0110023","","","0.71073","MoKα","","0.0658","0.0469","","","0.1196","0.1287","","","","","","1.093","","","","has coordinates,has disorder","179257","2020-10-21","18:00:00",""
"4317815","15.554","0.002","26.697","0.004","14.2637","0.0019","90","","90","","90","","5922.9","1.4","193","2","193","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H81 N8 P4 Se4 Te -","- C35 H81 N8 P4 Se4 Te -","- C140 H324 N32 P16 Se16 Te4 -","4","0.5","","Glen G. Briand; Tristram Chivers; Gabriele Schatte","Redox Chemistry of Tellurium Bis(tert-butylamido)cyclodiphosph(V)azane Disulfide and Diselenide Systems: A Spectroscopic and Structural Study","Inorganic Chemistry","2002","41","","1958","1965","10.1021/ic011151l","","","0.71073","MoKα","","0.0905","0.0515","","","0.1546","0.1721","","","","","","1.097","","","","has coordinates","179258","2020-10-21","18:00:00",""
"4317819","15.456","0.002","26.52","0.004","14.061","0.002","90","","90","","90","","5763.5","1.4","193","2","193","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H81 N8 P4 S4 Te -","- C35 H81 N8 P4 S4 Te -","- C140 H324 N32 P16 S16 Te4 -","4","0.5","","Glen G. Briand; Tristram Chivers; Gabriele Schatte","Redox Chemistry of Tellurium Bis(tert-butylamido)cyclodiphosph(V)azane Disulfide and Diselenide Systems: A Spectroscopic and Structural Study","Inorganic Chemistry","2002","41","","1958","1965","10.1021/ic011151l","","","0.71073","MoKα","","0.0768","0.0493","","","0.1449","0.1594","","","","","","1.153","","","","has coordinates","179258","2020-10-21","18:00:00",""
"4317844","13.2411","0.0015","7.5439","0.0012","4.9248","0.0006","90","","90","","90","","491.94","0.11","293","2","173","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C H Ag Cl O3 S -","- C H Ag Cl O3 S -","- C4 H4 Ag4 Cl4 O12 S4 -","4","0.5","","Gary Wulfsberg; Katherine D. Parks; Richard Rutherford; Debra Jones Jackson; Frank E. Jones; Dana Derrick; William Ilsley; Steven H. Strauss; Susie M. Miller; Oren P. Anderson; T. A. Babushkina; S. I. Gushchin; E. A. Kravchenko; V. G. Morgunov","Weakly Coordinating Anions: Crystallographic and NQR Studies of Halogen-Metal Bonding in Silver, Thallium, Sodium, and Potassium Halomethanesulfonates","Inorganic Chemistry","2002","41","","2032","2040","10.1021/ic010715i","","","0.71073","MoKα","","0.0647","0.058","","","0.1471","0.154","","","","","","1.093","","","","has coordinates","179258","2020-10-21","18:00:00",""
"4317922","12.639","0.002","15.733","0.003","11.309","0.002","90","","90","","90","","2248.8","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H32 N2 O3 Rh2 -","- C23 H32 N2 O3 Rh2 -","- C92 H128 N8 O12 Rh8 -","4","0.5","","Cristina Tejel; Miguel A. Ciriano; Marta Bordonaba; José A. López; Fernando J. Lahoz; Luis A. Oro","Dinuclear Rhodium and Iridium Complexes with Mixed Amido/Methoxo and Amido/Hydroxo Bridges","Inorganic Chemistry","2002","41","","2348","2355","10.1021/ic0109952","","","0.71073","MoKα","","0.0538","0.0288","","","0.055","0.0615","","","","","","1.005","","","","has coordinates","179259","2020-10-21","18:00:00",""
"4317967","20.3739","0.001","22.1686","0.0011","19.063","0.0009","90","","90","","90","","8610","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C83 H68 O7 Ru5 Sn5 -","- C83.04 H68.27 O7 Ru5 Sn5 -","- C332.16 H273.08 O28 Ru20 Sn20 -","4","0.5","","Richard D. Adams; Burjor Captain; Wei Fu; Mark D. Smith","Multiple Reactions of Triphenylstannane with Ru5(CO)12(C6H6)(μ5-C) Yield Bimetallic Clusters with Unusually Large Numbers of Tin Ligands","Inorganic Chemistry","2002","41","","2302","2303","10.1021/ic011321u","","","0.71073","MoKα","","0.0658","0.0469","","","0.1196","0.1287","","","","","","1.093","","","","has coordinates,has disorder","179259","2020-10-21","18:00:00",""
"4317987","10.996","0.005","21.42","0.01","8.7","0.003","90","","90","","90","","2049.1","1.5","296.2","","296.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H26 N2 O12 U -","- C14 H26 N2 O10 U0.5 -","- C56 H104 N8 O40 U2 -","4","0.5","","J. Jiang; M. J. Sarsfield; J. C. Renshaw; F. R. Livens; D. Collison; J. M. Charnock; M. Helliwell; H. Eccles","Synthesis and Characterization of Uranyl Compounds with Iminodiacetate and Oxydiacetate Displaying Variable Denticity","Inorganic Chemistry","2002","41","","2799","2806","10.1021/ic020121v","","","0.7107","MoKα","","0.0845","0.0429","","0.0484","0.043","","","","1.6","1.655","1.655","","","","","has coordinates","209475","2020-10-21","18:00:00",""
"4318034","10.3012","0.001","8.1506","0.0008","7.6113","0.0008","90","","90","","90","","639.05","0.11","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","barium iron oxide","Barium Iron Oxide (3/1/5)","","- Ba3 Fe O5 -","- Ba3 Fe O5 -","- Ba12 Fe4 O20 -","4","0.5","","James L. Delattre; Angelica M. Stacy; Victor G. Young,; Gary J. Long; Raphaël Hermann; Fernande Grandjean","Study of the Structural, Electronic, and Magnetic Properties of the Barium-Rich Iron(IV) Oxides, Ba2FeO4 and Ba3FeO5","Inorganic Chemistry","2002","41","","2834","2838","10.1021/ic0113247","","","0.71073","MoKα","","0.0804","0.0471","","0.1025","0.0925","","","","1.184","1.259","1.259","","","","","has coordinates","179260","2020-10-21","18:00:00",""
"4318039","18.786","0.001","10.4442","0.0004","7.715","0.001","90","","90","","90","","1513.7","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","K6TlNbAs4","","","- As4 K6 Nb Tl -","- As4 K6 Nb Tl -","- As16 K24 Nb4 Tl4 -","4","0.5","","Franck Gascoin; Slavi C. Sevov","Niobium-Arsenic Zintl Phases: A6NbAs5 (A = K, Rb, Cs), K6NbTlAs4, and K8NbPbAs5 with Edge-Bridged Niobium-Centered Tetrahedra of Arsenic, [NbAs4M]n- Where M = As, Tl, Pb","Inorganic Chemistry","2002","41","","2820","2825","10.1021/ic020036n","","","0.71073","MoKα","","0.0479","0.0335","","","0.0713","0.0762","","","","","","1.085","","","","has coordinates","179260","2020-10-21","18:00:00",""
"4318072","15.5491","0.0007","11.7044","0.0005","11.4205","0.0005","90","","90","","90","","2078.45","0.16","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H28 B10 Sn3 -","- C8 H28 B10 Sn3 -","- C32 H112 B40 Sn12 -","4","0.5","","Chongchan Lee; Junghyun Lee; Soon W. Lee; Sang Ook Kang; Jaejung Ko","Synthesis and Reactivity of 1,2-Bis(chlorodimethylgermyl)carborane and 1,2-Bis(bromodimethylstannyl)carborane","Inorganic Chemistry","2002","41","","3084","3090","10.1021/ic0110878","","","0.71073","MoKα","","0.04","0.0331","","","0.0856","0.0897","","","","","","1.173","","","","has coordinates","179260","2020-10-21","18:00:00",""
"4318073","16.2836","0.0014","10.9236","0.0009","12.3182","0.0009","90","","90","","90","","2191.1","0.3","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H27 B10 P Sn2 -","- C12 H27 B10 P Sn2 -","- C48 H108 B40 P4 Sn8 -","4","0.5","","Chongchan Lee; Junghyun Lee; Soon W. Lee; Sang Ook Kang; Jaejung Ko","Synthesis and Reactivity of 1,2-Bis(chlorodimethylgermyl)carborane and 1,2-Bis(bromodimethylstannyl)carborane","Inorganic Chemistry","2002","41","","3084","3090","10.1021/ic0110878","","","0.71073","MoKα","","0.0701","0.0519","","","0.1201","0.1327","","","","","","1.039","","","","has coordinates","179260","2020-10-21","18:00:00",""
"4318191","16.101","0.005","13.245","0.004","6.134","0.002","90","","90","","90","","1308.1","0.7","84","","84","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H26 N2 O2 Pt -","- C9 H26 N2 O2 Pt -","- C36 H104 N8 O8 Pt4 -","4","0.5","","Vsevolod V. Rostovtsev; Lawrence M. Henling; Jay A. Labinger; John E. Bercaw","Structural and Mechanistic Investigations of the Oxidation of Dimethylplatinum(II) Complexes by Dioxygen","Inorganic Chemistry","2002","41","","3608","3619","10.1021/ic0112903","","","0.71073","MoKα","","0.046","0.0297","","","0.0533","0.0593","","","","","","1.828","","","","has coordinates,has disorder","179261","2020-10-21","18:00:00",""
"4318303","23.704","0.006","17.254","0.008","13.304","0.002","90","","90","","90","","5441","3","296.2","","296.2","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C44 H72 B5 O6 P4 Rh -","- C41 H74 B3.5 O4 P3 Rh0.5 -","- C164 H296 B14 O16 P12 Rh2 -","4","0.5","","Yasushi Nishihara; Kyoko Nara; Kohtaro Osakada","Tetraarylpentaborates, [B5O6Ar4]- (Ar = C6H4OMe-4, C6H3Me2-2,6): Their Formation from the Reaction of Arylboronic Acids with an Aryloxorhodium Complex, Structure, and Chemical Properties","Inorganic Chemistry","2002","41","","4090","4092","10.1021/ic015630w","","","0.7107","MoK?a","","0.0565","0.056","","0.05","","0.05","","","3.639","","","3.64","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318307","16.5158","0.001","13.6408","0.0008","10.426","0.002","90","","90","","90","","2348.9","0.5","180.2","","180.2","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H33 N Nb O3 P3 Si -","- C15 H33 N Nb O3 P3 Si -","- C60 H132 N4 Nb4 O12 P12 Si4 -","4","0.5","","Trevor W. Hayton; P. James Daff; Peter Legzdins; Steven J. Rettig; Brian O. Patrick","Synthesis, Characterization, and Solution Redox Properties of (trimpsi)M(CO)2(NO) Complexes [M = V, Nb, Ta; trimpsi = tBuSi(CH2PMe2)3]","Inorganic Chemistry","2002","41","","4114","4126","10.1021/ic020041r","","","0.7107","MoKα","","0.0823","0.053","","","0.1401","0.1488","","","0.997","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318466","20.8069","0.0014","14.4837","0.0016","12.62","0.002","90","","90","","90","","3803.2","0.8","149","2","149","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C39 H30 F3 Fe N5 O9 S -","- C39 H30 F3 Fe N5 O9 S -","- C156 H120 F12 Fe4 N20 O36 S4 -","4","0.5","","Christian R. Goldsmith; Robert T. Jonas; Adam P. Cole; T. Daniel P. Stack","A Spectrochemical Walk: Single-Site Perturbation within a Series of Six-Coordinate Ferrous Complexes","Inorganic Chemistry","2002","41","","4642","4652","10.1021/ic025616z","","","0.71069","MoKα","","0.1164","0.049","","","0.1084","0.1225","","","","","","0.872","","","","has coordinates","179264","2020-10-21","18:00:00",""
"4318635","13.787","0.003","9.175","0.002","12.018","0.002","90","","90","","90","","1520.2","0.5","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H16 Cu3 N6 -","- C10 H16 Cu3 N6 -","- C40 H64 Cu12 N24 -","4","0.5","","Enrique Colacio; Raikko Kivekäs; Francesc Lloret; Markku R. Sundberg; José Suárez-Varela; Manuel Bardají; Antonio Laguna","Architecture Dependence on the Steric Constrains of the Ligand in Cyano-Bridged Copper(I) and Copper(II)-Copper(I) Mixed-Valence Polymer Compounds Containing Diamines: Crystal Structures and Spectroscopic and Magnetic Properties","Inorganic Chemistry","2002","41","","5141","5149","10.1021/ic025743v","","","0.71073","MoKα","","0.07","0.052","","","0.1367","0.1451","","","","","","1.007","","","","has coordinates","179266","2020-10-21","18:00:00",""
"4318698","20.3739","0.001","22.1686","0.0011","19.063","0.0009","90","","90","","90","","8610","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C83 H68 O7 Ru5 Sn5 -","- C83.04 H68.27 O7 Ru5 Sn5 -","- C332.16 H273.08 O28 Ru20 Sn20 -","4","0.5","","Richard D. Adams; Burjor Captain; Wei Fu; Mark D. Smith","High Nuclearity Ruthenium-Tin Clusters from the Reactions of Triphenylstannane with Pentaruthenium Carbonyl Carbido Cluster Complexes","Inorganic Chemistry","2002","41","","5593","5601","10.1021/ic0204169","","","0.71073","MoKα","","0.0658","0.0469","","","0.1196","0.1287","","","","","","1.093","","","","has coordinates,has disorder","179266","2020-10-21","18:00:00",""
"4318806","9.8219","0.0008","32.729","0.002","14.2572","0.0011","90","","90","","90","","4583.1","0.6","296","","296","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C48 H49 Ca N2 O11 P -","- C48 H41 Ca N2 O11 P -","- C192 H164 Ca4 N8 O44 P4 -","4","0.5","","Akira Onoda; Yusuke Yamada; Taka-aki Okamura; Hitoshi Yamamoto; Norikazu Ueyama","Mononuclear Ca(II)-Bulky Aryl-Phosphate Monoanion and Dianion Complexes with Ortho-Amide Groups","Inorganic Chemistry","2002","41","","6038","6047","10.1021/ic010570f","","","0.71069","MoKα","","0.2751","0.1141","","","0.3057","0.3478","","","","","","0.913","","","","has coordinates","179268","2020-10-21","18:00:00",""
"4318961","16.243","0.004","20.985","0.005","9.747","0.002","90","","90","","90","","3322.4","1.3","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C9 H14 F6 Fe N4 P S -","- C9 H14 F6 Fe N4 P S -","- C72 H112 F48 Fe8 N32 P8 S8 -","8","1","","Joshua D. Lawrence; Thomas B. Rauchfuss; Scott R. Wilson","New Class of Diiron Dithiolates Related to the Fe-Only Hydrogenase Active Site: Synthesis and Characterization of [Fe2(SR)2(CNMe)7]2+","Inorganic Chemistry","2002","41","","6193","6195","10.1021/ic025919t","","","0.71073","MoKα","","0.0773","0.046","","","0.1066","0.1167","","","","","","1.031","","","","has coordinates","179269","2020-10-21","18:00:00",""
"4318985","8.2715","0.0017","12.473","0.003","17.117","0.003","90","","90","","90","","1766","0.6","193","2","193","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Cl2 Cs2 H5 I O14 U3 -","- Cl2 Cs2 I O14 U3 -","- Cl8 Cs8 I4 O56 U12 -","4","0.5","","Amanda C. Bean; Youwen Xu; Janet A. Danis; Thomas E. Albrecht-Schmitt; Brian L. Scott; Wolfgang Runde","Aqueous Reactions of U(VI) at High Chloride Concentrations: Syntheses and Structures of New Uranyl Chloride Polymers","Inorganic Chemistry","2002","41","","6775","6779","10.1021/ic020177p","","","0.71073","MoKα","","0.0484","0.0471","","","0.087","0.0873","","","","","","1.322","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319095","19.8499","0.0017","15.5825","0.0013","12.9329","0.0011","90","","90","","90","","4000.3","0.6","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al K5 O48 W12 -","- Al K5 O48 W12 -","- Al4 K20 O192 W48 -","4","0.5","","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","","0.0937","0.0856","","","0.1818","0.1857","","","","","","1.267","","","","has coordinates","179270","2020-10-21","18:00:00",""
"4319119","30.6484","0.0004","14.9946","0.0002","19.1708","0.0001","90","","90","","90","","8810.14","0.17","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- As2 H60 K10.94 Mn3 Na1.06 O96 W18 -","- As2 K10.94 Mn3 Na1.06 O88 W18 -","- As8 K43.76 Mn12 Na4.24 O352 W72 -","4","0.5","","Pierre Mialane; Jérôme Marrot; Eric Rivière; Jérôme Nebout; Gilbert Hervé","Structural Characterization and Magnetic Properties of Sandwich-Type Tungstoarsenate Complexes. Study of a Mixed-Valent VIV2/VV Heteropolyanion","Inorganic Chemistry","2001","40","","44","48","10.1021/ic000641v","","","0.71073","MoKα","","0.0745","0.0405","","","0.0805","0.0926","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319121","30.624","0.0005","14.9861","0.0002","19.2651","0.0003","90","","90","","90","","8841.4","0.2","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- As2 H46 K11 O92 V3 W18 -","- As2 K11 O92 V3 W18 -","- As8 K44 O368 V12 W72 -","4","0.5","","Pierre Mialane; Jérôme Marrot; Eric Rivière; Jérôme Nebout; Gilbert Hervé","Structural Characterization and Magnetic Properties of Sandwich-Type Tungstoarsenate Complexes. Study of a Mixed-Valent VIV2/VV Heteropolyanion","Inorganic Chemistry","2001","40","","44","48","10.1021/ic000641v","","","0.71073","MoKα","","0.0741","0.0469","","","0.0993","0.1097","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319122","30.2359","0.0003","14.9889","0.0002","19.1354","0.0003","90","","90","","90","","8672.2","0.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cu3 K12 O90 Sb2 W18 -","- Cu3 K12 O90 Sb2 W18 -","- Cu12 K48 O360 Sb8 W72 -","4","0.5","","Pierre Mialane; Jérôme Marrot; Eric Rivière; Jérôme Nebout; Gilbert Hervé","Structural Characterization and Magnetic Properties of Sandwich-Type Tungstoarsenate Complexes. Study of a Mixed-Valent VIV2/VV Heteropolyanion","Inorganic Chemistry","2001","40","","44","48","10.1021/ic000641v","","","0.71073","MoKα","","0.0798","0.0525","","","0.137","0.1522","","","","","","1.022","","","","has coordinates","179271","2020-10-21","18:00:00",""
"4319229","9.8","0.002","5.736","0.0011","11.723","0.002","90","","90","","90","","659","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F7 K2 W -","- F7 K2 W -","- F28 K8 W4 -","4","0.5","","Sven E. Eklund; James Q. Chambers; Gleb Mamantov; Jon Diminnie; Craig E. Barnes","Tungsten Fluorides: Syntheses and Electrochemical Characterization in the FLINAK Molten Salt Eutectic","Inorganic Chemistry","2001","40","","715","722","10.1021/ic000491o","","","0.71073","MoKα","","0.0539","0.0388","","","0.0882","0.0964","","","","","","1.113","","","","has coordinates","179272","2020-10-21","18:00:00",""
"4319237","14.554","0.003","7.1901","0.0012","10.369","0.002","90","","90","","90","","1085.1","0.4","102","2","102","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H12 Cu N8 Pt -","- C4 H12 Cu N8 Pt -","- C16 H48 Cu4 N32 Pt4 -","4","0.5","","Inmaculada Escorihuela; Larry R. Falvello; Milagros Tomás","An Extremly Bent Cyanide Bridge in Crystals of [(CN)3Pt(μ-CN)Cu(NH3)4]. Influence of Electrostatic Forces on the Nature and Geometry of Bridging Cyanides in the Solid State","Inorganic Chemistry","2001","40","","636","640","10.1021/ic000734c","","","0.71073","MoKα","","0.0323","0.0287","","","0.0701","0.0719","","","","","","1.09","","","","has coordinates","179272","2020-10-21","18:00:00",""
"4319238","14.5091","0.001","7.2739","0.0004","10.457","0.0007","90","","90","","90","","1103.61","0.12","233","2","233","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H12 Cu N8 Pt -","- C4 H12 Cu N8 Pt -","- C16 H48 Cu4 N32 Pt4 -","4","0.5","","Inmaculada Escorihuela; Larry R. Falvello; Milagros Tomás","An Extremly Bent Cyanide Bridge in Crystals of [(CN)3Pt(μ-CN)Cu(NH3)4]. Influence of Electrostatic Forces on the Nature and Geometry of Bridging Cyanides in the Solid State","Inorganic Chemistry","2001","40","","636","640","10.1021/ic000734c","","","0.71073","MoKα","","0.0385","0.0319","","","0.0812","0.0849","","","","","","1.069","","","","has coordinates","179272","2020-10-21","18:00:00",""
"4319239","8.128","0.0012","9.7037","0.0015","7.0722","0.0012","90","","90","","90","","557.8","0.15","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","N,N-Dimethyl-O-germyl-hydroxylamine","","- C2 H9 Ge N O -","- C2 H9 Ge N O -","- C8 H36 Ge4 N4 O4 -","4","0.5","","Norbert W. Mitzel; Udo Losehand; Sarah L. Hinchley; David W. H. Rankin","Synthesis, Decomposition, and Structural Studies in the Gas Phase and Solid State of N,N-Dimethylaminoxygermane","Inorganic Chemistry","2001","40","","661","666","10.1021/ic0007409","","","0.71073","MoKα","","0.0285","0.0249","","","0.062","0.0638","","","","","","1.088","","","","has coordinates","179272","2020-10-21","18:00:00",""
"4319327","6.8814","0.0014","25.53","0.005","12.77","0.003","90","","90","","90","","2243.5","0.8","203","2","203","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[(Mes)2DAP]SnCl","","","- C23 H29 Cl N2 Sn -","- C23 H29 Cl N2 Sn -","- C92 H116 Cl4 N8 Sn4 -","4","0.5","","Ashley E. Ayers; Thomas M. Klapötke; H. V. Rasika Dias","Azido Derivatives of Germanium(II) and Tin(II): Syntheses and Characterization of [(Mes)2DAP]GeN3, [(Mes)2DAP]SnN3, and the Corresponding Chloro Analogues Featuring Heterocyclic Six-π-Electron Ring Systems (where [(Mes)2DAP] = {N(Mes)C(Me)}2CH)","Inorganic Chemistry","2001","40","","1000","1005","10.1021/ic001078j","","","0.71073","MoKα","","0.0373","0.0294","","","0.0737","0.0778","","","","","","1.032","","","","has coordinates","179273","2020-10-21","18:00:00",""
"4319348","9.803","0.002","9.124","0.002","34.714","0.007","90","","90","","90","","3104.9","1.1","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Hg5 Rb4 Te13 -","- Hg5 Rb4 Te13 -","- Hg20 Rb16 Te52 -","4","0.5","","Xuean Chen; Xiaoying Huang; Jing Li","Rb~4~Hg~5~(Te~2~)~2~(Te~3~)~2~Te~3, [Zn(en)~3~]~4~In~16~(Te~2~)~4~(Te~3~)Te~22~, and K~2~Cu~2~(Te~2~)(Te~3~): Novel Metal Polytellurides with Unusual Metal-Tellurium Coordination","Inorganic Chemistry","2001","40","","1341","1346","10.1021/ic000648c","","","0.71073","MoKα","","0.1105","0.0423","","","0.0701","0.0785","","","","","","1.17","","","","has coordinates","179273","2020-10-21","18:00:00",""
"4319444","16.056","0.001","10.974","0.001","18.25","0.002","90","","90","","90","","3215.6","0.5","296.2","","296.2","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C25 H45 B N8 S3 W -","- C25 H39 B N8 S3 W -","- C100 H156 B4 N32 S12 W4 -","4","0.5","","Hidetake Seino; Yasushi Arai; Naohisa Iwata; Shoken Nagao; Yasushi Mizobe; Masanobu Hidai","Preparation of Mononuclear Tungsten Tris(sulfido) and Molybdenum Sulfido-Tetrasulfido Complexes with Hydridotris(pyrazolyl)borate Coligand and Conversion of the Former into Sulfido-Bridged Bimetallic Complex Having Pt(μ-S)2WS Core","Inorganic Chemistry","2001","40","","1677","1682","10.1021/ic0008823","","","0.7107","MoKα","","0.0232","0.0232","","","0.025","0.025","","","","","","1.543","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319503","21.2592","0.0004","4.0418","0.0001","28.1718","0.0003","90","","90","","90","","2420.67","0.08","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi5.91 La2.1 Pb2 S14 -","- Bi6.085 La2.096 Pb1.819 S14 -","- Bi24.34 La8.384 Pb7.276 S56 -","4","0.5","","Lykourgos Iordanidis; Mercouri G. Kanatzidis","Novel Quaternary Lanthanum Bismuth Sulfides Pb2LaxBi8-xS14, Sr2LaxBi8-xS14, and Cs2LaxBi10-xS16 with Complex Structures","Inorganic Chemistry","2001","40","","1878","1887","10.1021/ic001157v","","","0.71073","MoKα","","0.0786","0.0465","","","0.0785","0.0864","","","","","","1.036","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4319504","21.1899","0.0011","4.0417","0.0002","28.285","0.0015","90","","90","","90","","2422.4","0.2","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi5.42 La2.56 S14 Sr2 -","- Bi5.421 La2.577 S14 Sr2 -","- Bi21.684 La10.308 S56 Sr8 -","4","0.5","","Lykourgos Iordanidis; Mercouri G. Kanatzidis","Novel Quaternary Lanthanum Bismuth Sulfides Pb2LaxBi8-xS14, Sr2LaxBi8-xS14, and Cs2LaxBi10-xS16 with Complex Structures","Inorganic Chemistry","2001","40","","1878","1887","10.1021/ic001157v","","","0.71073","MoKα","","0.0456","0.0334","","","0.0633","0.0668","","","","","","1.097","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4319505","34.893","0.004","4.0697","0.0004","21.508","0.002","90","","90","","90","","3054.2","0.5","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi8.82 Cs2 La1.18 S16 -","- Bi8.815 Cs2 La1.185 S16 -","- Bi35.26 Cs8 La4.74 S64 -","4","0.5","","Lykourgos Iordanidis; Mercouri G. Kanatzidis","Novel Quaternary Lanthanum Bismuth Sulfides Pb2LaxBi8-xS14, Sr2LaxBi8-xS14, and Cs2LaxBi10-xS16 with Complex Structures","Inorganic Chemistry","2001","40","","1878","1887","10.1021/ic001157v","","","0.71073","MoKα","","0.1226","0.0497","","","0.0664","0.0782","","","","","","0.872","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4319517","8.3605","0.0007","18.2233","0.0015","12.9522","0.001","90","","90","","90","","1973.3","0.3","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C26 H17 N3 -","- C26 H17 N3 -","- C104 H68 N12 -","4","0.5","","Diwan S. Rawat; Pedro J. Benites; Christopher D. Incarvito; Arnold L. Rheingold; Jeffrey M. Zaleski","The Contribution of Ligand Flexibility to Metal Center Geometry Modulated Thermal Cyclization of Conjugated Pyridine and Quinoline Metalloenediynes of Copper(I) and Copper(II)","Inorganic Chemistry","2001","40","","1846","1857","10.1021/ic010014l","","","0.71073","MoKα","","0.0642","0.0385","","","0.0941","0.1024","","","","","","1.001","","","","has coordinates","179275","2020-10-21","18:00:00",""
"4319569","9.4073","0.0001","13.589","0.0002","9.3806","0.0001","90","","90","","90","","1199.18","0.03","203","2","203","2","","","","","","","","6","P n m a","-P 2ac 2n","62","N4P4F6O(CH3)3O","","","- C3 H6 F6 N4 O2 P4 -","- C3 H6 F6 N4 O2 P4 -","- C12 H24 F24 N16 O8 P16 -","4","0.5","","Anil J. Elias; Brendan Twamley; Jean'ne M. Shreeve","Syntheses and Experimental Studies on the Relative Stabilities of Spiro, Ansa, and Bridged Derivatives of Cyclic Tetrameric Fluorophosphazene","Inorganic Chemistry","2001","40","","2120","2126","10.1021/ic001294s","","","0.71073","MoKα","","0.0731","0.0656","","","0.1702","0.1764","","","","","","1.143","","","","has coordinates","179275","2020-10-21","18:00:00",""
"4319587","15.021","0.0006","15.0846","0.0006","8.9312","0.0004","90","","90","","90","","2023.68","0.15","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C16 H14 Cl2 N4 O S3 W -","- C16 H14 Cl2 N4 O S3 W -","- C64 H56 Cl8 N16 O4 S12 W4 -","4","0.5","","Kengkaj Sukcharoenphon; Kenneth B. Capps; Khalil A. Abboud; Carl D. Hoff","Synthesis and Structure of W(η2-mp)2(CO)3 (mp = Monoanion of 2-Mercaptopyridine) and Its Reactions with 2,2'-Pyridine Disulfide and/or NO To Yield W(η2-mp)4, W(η2-mp)2(NO)2, and W(η2-mp)3(NO)","Inorganic Chemistry","2001","40","","2402","2408","10.1021/ic000722r","","","0.71073","MoKα","","0.0177","0.0156","","","0.0372","0.0379","","","","","","1.029","","","","has coordinates,has disorder","179275","2020-10-21","18:00:00",""
"4319720","17.5156","0.0011","7.0126","0.0005","6.9015","0.0004","90","","90","","90","","847.71","0.09","170","2","170","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Eu K P Se4 -","- Eu K P Se4 -","- Eu4 K4 P4 Se16 -","4","0.5","","Evenson; Peter K. Dorhout","Selenophosphate Phase Diagrams Developed in Conjunction with the Synthesis of the New Compounds K2La(P2Se6)1/2(PSe4), K3La(PSe4)2, K4La0.67(PSe4)2, K9-xLa1+x/3(PSe4)4 (x = 0.5), and KEuPSe4","Inorganic Chemistry","2001","40","","2875","2883","10.1021/ic000595z","","","0.71073","MoKα","","0.0278","0.0237","","0.0565","0.0523","","","","1.094","1.119","1.119","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319727","16.7816","0.0015","6.6141","0.0006","6.5142","0.0006","90","","90","","90","","723.04","0.11","168","2","168","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Eu K P S4 -","- Eu K P S4 -","- Eu4 K4 P4 S16 -","4","0.5","","Evenson; Peter K. Dorhout","Thiophosphate Phase Diagrams Developed in Conjunction with the Synthesis of the New Compounds KLaP2S6, K2La(P2S6)1/2(PS4), K3La(PS4)2, K4La0.67(PS4)2, K9-xLa1+x/3(PS4)4 (x = 0.5), K4Eu(PS4)2, and KEuPS4","Inorganic Chemistry","2001","40","","2884","2891","10.1021/ic000596r","","","0.71073","MoKα","","0.0552","0.0368","","0.0749","0.0687","","","","1.069","1.097","1.097","","","","","has coordinates","179277","2020-10-21","18:00:00",""
"4319799","18.0179","0.0004","22.8589","0.0005","13.5102","0.0007","90","","90","","90","","5564.4","0.3","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C51 H94 Cl3 O3 P4 Re2 -","- C52 H96 Cl3 O5 P4 Re3 -","- C208 H384 Cl12 O20 P16 Re12 -","4","0.5","","Jitendra K. Bera; Phillip E. Fanwick; Richard A. Walton","Reaction of Re2(μ-O2CCH3)4Cl2 with Bis(dicyclohexylphosphino)methane (dcpm): Isolation of the Mixed-Valent Complex O3ReReCl(η2-dcpm)2 Containing an Unsupported Re-Re Bond","Inorganic Chemistry","2001","40","","2914","2917","10.1021/ic0100471","","","0.71073","MO-Kα","","","0.048","","","","0.106","","","","","","1.063","","","","has coordinates","179277","2020-10-21","18:00:00",""
"4319855","12.356","0.003","11.251","0.002","15.951","0.003","90","","90","","90","","2217.5","0.8","120","2","120","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C15 H34 As Co F6 N4 O5 S -","- C15 H34 As Co F6 N4 O5 S -","- C60 H136 As4 Co4 F24 N16 O20 S4 -","4","0.5","","Louise Broge; Inger Søtofte; Carl Erik Olsen; Johan Springborg","Cobalt(III) Complexes of [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane. Report of an Inert, Chelate Hydrogen Carbonate Ion","Inorganic Chemistry","2001","40","","3124","3129","10.1021/ic001208o","","","0.71073","MoKα","","0.0538","0.0426","","0.1134","0.1064","","","","1.097","1.121","1.121","","","","","has coordinates","179278","2020-10-21","18:00:00",""
"4319926","23.026","0.007","6.527","0.001","10.466","0.004","90","","90","","90","","1572.9","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H15 Ag N6 O6 -","- C13 H15 Ag N6 O6 -","- C52 H60 Ag4 N24 O24 -","4","0.5","","Shao-Liang Zheng; Ming-Liang Tong; Ruo-Wen Fu; Xiao-Ming Chen; Seik-Weng Ng","Toward Designed Assembly of Microporous Coordination Networks Constructed from Silver(I)-Hexamethylenetetramine Layers","Inorganic Chemistry","2001","40","","3562","3569","10.1021/ic001237z","","","0.71073","MoKα","","0.0659","0.038","","","0.0757","0.0848","","","","","","1.023","","","","has coordinates","179279","2020-10-21","18:00:00",""
"4319982","25.454","0.005","4.4421","0.0009","10.273","0.002","90","","90","","90","","1161.6","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba8 Ga16 Sb16 -","- Ba8 Ga16 Sb16 -","- Ba8 Ga16 Sb16 -","1","0.125","","Sung-Jin Kim; Mercouri G. Kanatzidis","A Unique Framework in BaGa2Sb2: A New Zintl Phase with Large Tunnels","Inorganic Chemistry","2001","40","","3781","3785","10.1021/ic010069n","","","0.71073","MoKα","","0.0353","0.0287","","","0.071","0.0745","","","","","","0.95","","","","has coordinates","179279","2020-10-21","18:00:00",""
"4320115","23.806","0.004","15.099","0.002","6.7593","0.001","90","","90","","90","","2429.6","0.6","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H35 Cl I N P2 Pt -","- C18 H35 Cl I N P2 Pt -","- C72 H140 Cl4 I4 N4 P8 Pt4 -","4","0.5","","Ana C. Albéniz; Virginia Calle; Pablo Espinet; Sandra Gómez","The Origin of Hindered Rotation around the Pt-N Bond in Platinum Amides","Inorganic Chemistry","2001","40","","4211","4216","10.1021/ic010317f","","","0.71073","MoKα","","0.0179","0.0158","","","0.041","0.0419","","","","","","1.064","","","","has coordinates","179304","2020-10-21","18:00:00",""
"4320128","7.2512","0.0007","4.438","0.0005","16.9018","0.0017","90","","90","","90","","543.91","0.1","223","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca2 Ge2 In Li -","- Ca2 Ge2 In Li -","- Ca8 Ge8 In4 Li4 -","4","0.5","","Jiang-Gao Mao; Zhihong Xu; Arnold M. Guloy","Synthesis and Crystal Structure of Ae2LiInGe2 (Ae = Ca, Sr): New Zintl Phases with a Layered Silicate-like Network","Inorganic Chemistry","2001","40","","4472","4477","10.1021/ic0103805","","","0.71073","MoKα","","0.0201","0.0187","","","0.0464","0.0464","","","","","","1.015","","","","has coordinates","179304","2020-10-21","18:00:00",""
"4320129","7.5033","0.0008","4.6194","0.0005","17.473","0.002","90","","90","","90","","605.63","0.12","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ge2 In Li Sr2 -","- Ge2 In Li Sr2 -","- Ge8 In4 Li4 Sr8 -","4","0.5","","Jiang-Gao Mao; Zhihong Xu; Arnold M. Guloy","Synthesis and Crystal Structure of Ae2LiInGe2 (Ae = Ca, Sr): New Zintl Phases with a Layered Silicate-like Network","Inorganic Chemistry","2001","40","","4472","4477","10.1021/ic0103805","","","0.71073","MoKα","","0.047","0.027","","0.066","0.0546","","","","1.202","1.134","1.134","","","","","has coordinates","179304","2020-10-21","18:00:00",""
"4320135","8.2265","0.0001","12.5313","0.0001","15.3587","0.0003","90","","90","","90","","1583.31","0.04","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H27 Br0.8 Cl1.2 Cu N3 -","- C12 H27 Br0.8 Cl1.2 Cu N3 -","- C48 H108 Br3.2 Cl4.8 Cu4 N12 -","4","0.5","","Gyungse Park; Junlong Shao; Frances H. Lu; Robin D. Rogers; N. Dennis Chasteen; Martin W. Brechbiel; Roy P. Planalp","Copper(II) Complexes of Novel N-Alkylated Derivatives of cis,cis-1,3,5-Triaminocyclohexane. 1. Preparation and Structure","Inorganic Chemistry","2001","40","","4167","4175","10.1021/ic000829e","","","0.71073","MoKα","","0.0596","0.0413","","0.1","0.09","","","","1.07","1.11","1.11","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4320148","16.378","0.003","7.3323","0.0006","19.431","0.003","90","","90","","90","","2333.4","0.6","293","","293","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H16 Cl3.5 Fe0.5 N2 O -","- C6 H16 Cl3.5 Fe0.5 N2 O -","- C48 H128 Cl28 Fe4 N16 O8 -","8","1","","Bruce D. James; Margarita Bakalova; John Liesegang; William Michael Reiff; Brian W. Skelton; Allan H. White","Isolation and Detailed Characterization of the trans-[(H2O)2FeCl4]- Anion: Stabilization of Novel Iron(III) Species by Large Organic Cations","Inorganic Chemistry","2001","40","","4617","4622","10.1021/ic001264p","","","0.71073","MoKα","","0.061","0.046","","0.047","","0.046","","","1.49","","","1.888","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4320244","19.208","0.004","8.783","0.002","9.72","0.002","90","","90","","90","","1639.8","0.6","133","2","133","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H30 Al F2 N -","- C13 H32 Al F2 N -","- C52 H128 Al4 F8 N4 -","4","0.5","","Marilena Ferbinteanu; Herbert W. Roesky; Fanica Cimpoesu; Mihail Atanasov; Sinje Köpke; Regine Herbst-Irmer","New Synthetic and Structural Aspects in the Chemistry of Alkylaluminum Fluorides. The Mutual Influence of Hard and Soft Ligands and the Hybridization as Rigorous Structural Criterion#","Inorganic Chemistry","2001","40","","4947","4955","10.1021/ic010131g","","","0.71073","MoKα","","0.0744","0.0696","","","0.1816","0.186","","","","","","1.147","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00",""
"4320448","6.9001","0.0009","8.0471","0.0001","16.227","0.002","90","","90","","90","","901.02","0.16","291","1","","","","","","","","","Single crystals were obtained from an aqueous/isopropanol solution","5","P n m a","-P 2ac 2n","62","","","","- C5 H7 Mo N O7 -","- C5 H7 Mo N O7 -","- C20 H28 Mo4 N4 O28 -","4","0.5","","Fabrício R. Sensato; Quezia B. Cass; Elson Longo; Julio Zukerman-Schpector; Rogerio Custodio; Juan Andrés; Marcelo Zaldini Hernandes; Ricardo L. Longo","Molecular Structure of the Molybdenum Oxo-Diperoxo Compound MoO(O2)2(OPy)(H2O): A Computational and X-ray Study","Inorganic Chemistry","2001","40","","6022","6025","10.1021/ic010020h","","","","","","","0.0285","","","","","","","","","","","","","","has coordinates","179307","2020-10-21","18:00:00",""
"4320605","21.62","0.0015","20.2518","0.0015","8.3555","0.0006","90","","90","","90","","3658.4","0.5","298","2","298","2","","","","","","","B. Jazdzewski/Prof. W. Tolman","5","P n m a","-P 2ac 2n","62","00159b","","","- C39 H54 Cu N2 O -","- C39 H54 Cu N2 O -","- C156 H216 Cu4 N8 O4 -","4","0.5","","Brian A. Jazdzewski; Patrick L. Holland; Maren Pink; Victor G. Young; Douglas J. E. Spencer; William B. Tolman","Three-Coordinate Copper(II)-Phenolate Complexes","Inorganic Chemistry","2001","40","","6097","6107","10.1021/ic010615c","","","0.71073","MoKα","","0.0617","0.0444","","0.1351","0.1152","","","","1.057","1.035","1.035","","","","","has coordinates","179309","2020-10-21","18:00:00",""
"4320651","7.546","0.002","4.196","0.001","10.257","0.002","90","","90","","90","","324.77","0.13","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd1.29 Sb8 U2.71 -","- Gd1.3 Sb8 U2.7 -","- Gd1.3 Sb8 U2.7 -","1","0.125","","Tobias Schmidt; Wolfgang Jeitschko","Preparation and Crystal Structure of the Ternary Uranium Rare Earth Antimonides (U2/3R1/3)Sb2 and (U1/2R1/2)3Sb7 with Mixed U/R Occupancy of the Metal Sites and a Variety of Antimony Polyanions","Inorganic Chemistry","2001","40","","6356","6361","10.1021/ic010564j","","","0.71073","MoKα","","0.0244","0.0225","","","0.0557","0.0567","","","","","","1.18","","","","has coordinates","179309","2020-10-21","18:00:00",""
"4320746","29.029","0.011","18.924","0.007","9.052","0.004","90","","90","","90","","4973","3","110","2","110","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C24.5 H25 Fe I N2 O P Zn -","- C24.5 H25 Fe I N2 O P Zn -","- C196 H200 Fe8 I8 N16 O8 P8 Zn8 -","8","1","","Donald J. Darensbourg; M. Jason Adams; Jason C. Yarbrough","Toward the Design of Double Metal Cyanides for the Copolymerization of CO2and Epoxides","Inorganic Chemistry","2001","40","","6543","6544","10.1021/ic0155941","","","0.71073","MoKα","","0.1555","0.0485","","","0.1018","0.1291","","","","","","0.869","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4320819","18.5761","0.0002","14.1731","0.0002","8.4049","0.0002","90","","90","","90","","2212.85","0.07","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H24 N6 O3 Si W -","- C19 H21 N6 O3 Si W -","- C76 H84 N24 O12 Si4 W4 -","4","0.5","","Eric E. Pullen; Daniel Rabinovich; Christopher D. Incarvito; Thomas E. Concolino; Arnold L. Rheingold","Syntheses and Structures of Methyltris(pyrazolyl)silane Complexes of the Group 6 Metals","Inorganic Chemistry","2000","39","","1561","1567","10.1021/ic990945l","","","0.71073","MoKα","","0.033","0.0289","","","0.1141","0.1221","","","","","","1.072","","","","has coordinates","179311","2020-10-21","18:00:00",""
"4320820","18.6624","0.0004","14.1761","0.0002","8.4402","0.0002","90","","90","","90","","2232.94","0.08","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H21 Mo N6 O3 Si -","- C19 H21 Mo N6 O3 Si -","- C76 H84 Mo4 N24 O12 Si4 -","4","0.5","","Eric E. Pullen; Daniel Rabinovich; Christopher D. Incarvito; Thomas E. Concolino; Arnold L. Rheingold","Syntheses and Structures of Methyltris(pyrazolyl)silane Complexes of the Group 6 Metals","Inorganic Chemistry","2000","39","","1561","1567","10.1021/ic990945l","","","0.71073","MoKα","","0.0412","0.0359","","","0.1269","0.1337","","","","","","1.17","","","","has coordinates","179311","2020-10-21","18:00:00",""
"4321106","7.2592","0.0005","4.6136","0.0003","11.6908","0.0008","90","","90","","90","","391.54","0.05","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Li0.93 Mg0.08 Si2 -","- Ba Li0.925 Mg0.075 Si2 -","- Ba4 Li3.7 Mg0.3 Si8 -","4","0.5","","Steffen Wengert; Reinhard Nesper","Topological Relationships and Building Blocks in Zintl Phases of the Composition Ban+l(Mg,Li)2nSi2(n+l)","Inorganic Chemistry","2000","39","","2861","2865","10.1021/ic991299t","","","0.71073","MoKα","","0.0262","0.0237","","","0.0496","0.0506","","","","","","1.204","","","","has coordinates","179314","2020-10-21","18:00:00",""
"4321149","7.8354","0.0011","4.1721","0.0006","10.2985","0.0014","90","","90","","90","","336.66","0.08","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","lanthanum asernic telluride","","- As La Te -","- As La Te -","- As4 La4 Te4 -","4","0.5","","Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers","Syntheses, Structures, and Physical Properties of LnAsTe (Ln = La, Pr, Sm, Gd, Dy, Er)","Inorganic Chemistry","2000","39","","3176","3180","10.1021/ic000187v","","","0.71073","MoKα","","0.027","0.0261","","","0.0858","0.0862","","","","","","1.662","","","","has coordinates","179314","2020-10-21","18:00:00",""
"4321150","7.728","0.002","4.12","0.0011","10.137","0.003","90","","90","","90","","322.76","0.15","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Praseodymium Asernic Telluride","","- As Pr Te -","- As Pr Te -","- As4 Pr4 Te4 -","4","0.5","","Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers","Syntheses, Structures, and Physical Properties of LnAsTe (Ln = La, Pr, Sm, Gd, Dy, Er)","Inorganic Chemistry","2000","39","","3176","3180","10.1021/ic000187v","","","0.71073","MoKα","","0.0261","0.0246","","","0.0591","0.0599","","","","","","1.114","","","","has coordinates","179314","2020-10-21","18:00:00",""
"4321151","7.618","0.0016","4.0821","0.0009","9.991","0.002","90","","90","","90","","310.69","0.11","293","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Samarium Asernic Telluride","","- As Sm Te -","- As Sm Te -","- As4 Sm4 Te4 -","4","0.5","","Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers","Syntheses, Structures, and Physical Properties of LnAsTe (Ln = La, Pr, Sm, Gd, Dy, Er)","Inorganic Chemistry","2000","39","","3176","3180","10.1021/ic000187v","","","0.71073","MoKα","","0.0287","0.027","","","0.0664","0.067","","","","","","1.28","","","","has coordinates","179314","2020-10-21","18:00:00",""
"4321152","7.5611","0.0015","4.051","0.0008","9.92","0.002","90","","90","","90","","303.85","0.1","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Gadolinium Asernic Telluride","","- As Gd Te -","- As Gd Te -","- As4 Gd4 Te4 -","4","0.5","","Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers","Syntheses, Structures, and Physical Properties of LnAsTe (Ln = La, Pr, Sm, Gd, Dy, Er)","Inorganic Chemistry","2000","39","","3176","3180","10.1021/ic000187v","","","0.71073","MoKα","","0.0357","0.0354","","","0.0815","0.0819","","","","","","1.339","","","","has coordinates","179314","2020-10-21","18:00:00",""
"4321153","7.4951","0.0013","4.0246","0.0007","9.8288","0.0017","90","","90","","90","","296.48","0.09","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dysprosium Asernic Telluride","","- As Dy Te -","- As Dy Te -","- As4 Dy4 Te4 -","4","0.5","","Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers","Syntheses, Structures, and Physical Properties of LnAsTe (Ln = La, Pr, Sm, Gd, Dy, Er)","Inorganic Chemistry","2000","39","","3176","3180","10.1021/ic000187v","","","0.71073","MoKα","","0.0238","0.0237","","","0.062","0.062","","","","","","1.232","","","","has coordinates","179314","2020-10-21","18:00:00",""
"4321154","7.4478","0.0001","4.0078","0.0001","9.7552","0.0002","90","","90","","90","","291.186","0.01","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Erbium Asernic Telluride","","- As Er Te -","- As Er Te -","- As4 Er4 Te4 -","4","0.5","","Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers","Syntheses, Structures, and Physical Properties of LnAsTe (Ln = La, Pr, Sm, Gd, Dy, Er)","Inorganic Chemistry","2000","39","","3176","3180","10.1021/ic000187v","","","0.71073","MoKα","","0.0338","0.0279","","","0.0687","0.0706","","","","","","1.063","","","","has coordinates","179314","2020-10-21","18:00:00",""
"4321337","21.216","0.002","11.089","0.001","7.287","0.001","90","","90","","90","","1714.4","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H27 N5 S2 Si -","- C9 H27 N5 S2 Si -","- C36 H108 N20 S8 Si4 -","4","0.5","","Tobias Borrmann; Andrey V. Zibarev; Enno Lork; Gerd Knitter; Shan-Jia Chen; Paul G. Watson; Edgardo Cutin; Makhmut M. Shakirov; Wolf-Dieter Stohrer; Rüdiger Mews","TAS+(Z)-Me3CNSN- and TAS+(E)-Me3SiNSN-: Does the Anion-Cation Interaction Influence the Configuration?","Inorganic Chemistry","2000","39","","3999","4005","10.1021/ic0004030","","","0.71073","MoKα","","0.0477","0.0347","","","0.092","0.0957","","","","","","0.978","","","","has coordinates","179316","2020-10-21","18:00:00",""
"4321455","17.805","0.004","12.123","0.003","9.493","0.002","90","","90","","90","","2049.1","0.8","163","2","163","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H26 Cl3 Co N6 O13 -","- C8 H28 Cl3 Co N6 O13 -","- C32 H112 Cl12 Co4 N24 O52 -","4","0.5","","Andrea J. Clarkson; David A. Buckingham; Andrew J. Rogers; Allan G. Blackman; Charles R. Clark","Kinetic Origin of the Chelate Effect. Base Hydrolysis, H-Exchange Reactivity, and Structures of syn,anti-[Co(cyclen)(NH3)2]3+ and syn,anti-[Co(cyclen)(diamine)]3+ Ions (diamine = H2N(CH2)2NH2, H2N(CH2)3NH2)","Inorganic Chemistry","2000","39","","4769","4775","10.1021/ic000325g","","","0.71073","MoKα","","0.0308","0.03","","","0.0848","0.0861","","","","","","0.999","","","","has coordinates","179317","2020-10-21","18:00:00",""
"4321479","16.387","0.002","3.8258","0.0005","9.9788","0.0014","90","","90","","90","","625.6","0.14","295","2","295","2","","","","","","","","3","P n m a","-P 2ac 2n","62","zirconium palladium phosphide","zirconium palladium phosphide","","- P1.5 Pd2 Zr1.5 -","- P1.5 Pd2 Zr1.5 -","- P12 Pd16 Zr12 -","8","1","","Meitian Wang; Robert McDonald; Arthur Mar","Ternary Early-Transition-Metal Palladium Pnictides Zr3Pd4P3, Hf3Pd4P3, HfPdSb, and Nb5Pd4P4","Inorganic Chemistry","2000","39","","4936","4941","10.1021/ic0006551","","","0.71073","MoKα","","0.096","0.0439","","","0.0709","0.0805","","","","","","0.853","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321480","16.3399","0.0016","3.7867","0.0003","9.9536","0.001","90","","90","","90","","615.87","0.1","295","2","295","2","","","","","","","","3","P n m a","-P 2ac 2n","62","hafnium palladium phosphide","hafnium palladium phosphide","","- Hf1.5 P1.5 Pd2 -","- Hf1.5 P1.5 Pd2 -","- Hf12 P12 Pd16 -","8","1","","Meitian Wang; Robert McDonald; Arthur Mar","Ternary Early-Transition-Metal Palladium Pnictides Zr3Pd4P3, Hf3Pd4P3, HfPdSb, and Nb5Pd4P4","Inorganic Chemistry","2000","39","","4936","4941","10.1021/ic0006551","","","0.71073","MoKα","","0.0948","0.0488","","","0.0688","0.0789","","","","","","0.915","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321525","17.831","0.002","23.98","0.003","9.6048","0.0009","90","","90","","90","","4106.9","0.8","203","2","203","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C40 H75 Cl2 N O P2 Ru -","- C40 H75 Cl2 N O P2 Ru -","- C160 H300 Cl8 N4 O4 P8 Ru4 -","4","0.5","","Samantha D. Drouin; Glenn P. A. Yap; Deryn E. Fogg","Hydrogenolysis of a Ruthenium Carbene Complex to Yield Dihydride-Dihydrogen Tautomers: Mechanistic Implications for Tandem ROMP-Hydrogenation Catalysis","Inorganic Chemistry","2000","39","","5412","5414","10.1021/ic000102q","","","0.71073","MoKα","","0.1179","0.067","","","0.1568","0.1799","","","","","","1.056","","","","has coordinates,has disorder","179318","2020-10-21","18:00:00",""
"4321776","13.126","0.001","14.355","0.005","8.472","0.001","90","","90","","90","","1596.3","0.6","198","","198","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H22 B10 O Si2 -","- C6 H22 B10 O Si2 -","- C24 H88 B40 O4 Si8 -","4","0.5","","Francis M. de Rege; Jeremy D. Kassebaum; Brian L. Scott; Kent D. Abney; Gary J. Balaich","Synthesis, Structure, and Reactivity of 1,2-(1',1',2',2'-Tetramethyldisilane-1',2')carborane","Inorganic Chemistry","1999","38","","486","489","10.1021/ic980992y","","","0.71073","MoKα","","0.0731","0.0448","","0.1181","0.1054","","","","1.162","1.244","1.244","","","","","has coordinates","179320","2020-10-21","18:00:00",""
"4321795","9.951","0.001","8.072","0.001","7.075","0.001","90","","90","","90","","568.3","0.12","293.2","","293.2","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- K2 N2 O5 S -","- K2 N2 O5 S -","- K8 N8 O20 S4 -","4","0.5","","John Reglinski; David R. Armstrong; Katherine Sealey; Mark D. Spicer","N-Nitrosohydroxylamine-N-sulfonate: A Redetermination of Its X-ray Crystal Structure and an Analysis of Its formation from NO and SO32- Using Ab Initio Molecular Orbital Calculations","Inorganic Chemistry","1999","38","","733","737","10.1021/ic981173g","","","0.7107","MoKalpha","","0.0372","0.0299","","0.038","0.0324","","","","","2.543","2.543","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321945","12.112","0.001","21.736","0.002","16.109","0.001","90","","90","","90","","4241","0.6","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C12 H24 K7 Mo4 N12 O12 Te4 -","- C12 K7 Mo4 N12 O12 Te4 -","- C48 K28 Mo16 N48 O48 Te16 -","4","0.5","","V. P. Fedin; I. V. Kalinina; D. G. Samsonenko; Y. V. Mironov; M. N. Sokolov; S. V. Tkachev; A. V. Virovets; N. V. Podberezskaya; M. R. J. Elsegood; W. Clegg; A. G. Sykes","Synthesis, Structure, and Properties of Molybdenum and Tungsten Cyano Complexes with Cuboidal M4(μ3-E4) (M = Mo, W; E = S, Se, Te) Cores","Inorganic Chemistry","1999","38","","1956","1965","10.1021/ic980956z","","","0.71069","MoKα","","0.0609","0.0471","","","0.1214","0.1253","","","","","","1.132","","","","has coordinates","179322","2020-10-21","18:00:00",""
"4321985","9.138","0.003","12.518","0.005","9.138","0.004","90","","90","","90","","1045.3","0.7","210","2","210","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H6 F N3 O3 Re -","- C6 H6 F N3 O3 Re -","- C24 H24 F4 N12 O12 Re4 -","4","0.5","","William J. Casteel; David A. Dixon; Nicolas LeBlond; Philippa E. Lock; Hélène P. A. Mercier; Gary J. Schrobilgen","Lewis Acid Behavior of ReO2F3: Synthesis of (ReO2F3)\ιnfty, ReO2F4-, Re2O4F7-, Re3O6F10-, and ReO2F3(CH3CN) and Study by NMR Spectroscopy, Raman Spectroscopy, and Density Functional Theory Calculations; and X-ray Structures of [Li][ReO2F4], [K][Re2O4F7], [K][Re2O4F7].2ReO2F3, [Cs][Re3O6F10], and ReO3F(CH3CN)2.CH3CN","Inorganic Chemistry","1999","38","","2340","2358","10.1021/ic980695t","","","0.71073","MoKα","","0.0199","","","0.0607","0.0605","","","","1.205","1.205","1.205","","","","","has coordinates","179322","2020-10-21","18:00:00",""
"4322064","13.7621","0.001","8.7492","0.0013","10.0073","0.001","90","","90","","90","","1205","0.2","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H19 Br2 Cu N3 -","- C8 H19 Br2 Cu N3 -","- C32 H76 Br8 Cu4 N12 -","4","0.5","","Eric L. Hegg; Stephen H. Mortimore; Chin Li Cheung; Jennifer E. Huyett; Douglas R. Powell; Judith N. Burstyn","Structure-Reactivity Studies in Copper(II)-Catalyzed Phosphodiester Hydrolysis","Inorganic Chemistry","1999","38","","2961","2968","10.1021/ic981087g","","","1.54178","CuKα","","0.0514","0.0449","","0.1048","0.1022","","","","1.178","1.194","1.194","","","","","has coordinates","179323","2020-10-21","18:00:00",""
"4322373","18.529","0.006","33.372","0.006","10.851","0.003","90","","90","","90","","6710","3","200","2","200","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C51 H70 Cl9 I N6 O3 Ru2 S7 -","- C51 H70 Cl9 I N6 O3 Ru2 S7 -","- C204 H280 Cl36 I4 N24 O12 Ru8 S28 -","4","0.5","","Dieter Sellmann; Jürgen Utz; Frank W. Heinemann","Transition Metal Complexes with Sulfur Ligands. 136.1 Enforced Trans Coordination of Thiolate Donors in Electron Rich Iron, Ruthenium, and Nickel [M(L)(pyN~2~H~2~S~2~)] and [M(L)(pyS~4~)] Complexes (L = CO, PPh~3~, DMSO) (pyN2H2S22-= 2,6-Bis(2-mercaptophenylamino)dimethylpyridine(2-); pyS4^2-^ = 2,6-Bis(2-mercaptophenylthio)dimethylpyridine(2-))","Inorganic Chemistry","1999","38","","5314","5322","10.1021/ic990169h","","","0.71073","MoKα","","0.0843","0.067","","0.1902","0.1793","","","","1.273","1.418","1.418","","","","","has coordinates,has disorder","179326","2020-10-21","18:00:00",""
"4322382","17.6352","0.0004","10.9691","0.0002","20.2778","0.0005","90","","90","","90","","3922.58","0.15","213","2","213","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C27 H59 N3 O2 S4 W -","- C27 H59 N3 O2 S4 W -","- C108 H236 N12 O8 S16 W4 -","4","0.5","","Christine A. Goddard; R. H. Holm","Synthesis and Reactivity Aspects of the Bis(dithiolene) Chalcogenide Series [WIVQ(S2C2R2)2]2- (Q = O, S, Se)","Inorganic Chemistry","1999","38","","5389","5398","10.1021/ic9903329","","","0.71073","MoKα","","0.0416","0.0341","","","0.0855","0.09","","","","","","1.044","","","","has coordinates,has disorder","179326","2020-10-21","18:00:00",""
"4322509","19.0514","0.0002","17.5082","0.0001","9.6695","0.0001","90","","90","","90","","3225.32","0.05","213","2","213","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H52 Ga N6 P3 -","- C24 H52 Ga N6 P3 -","- C96 H208 Ga4 N24 P12 -","4","0.5","","Ingo Schranz; Daniel F. Moser; Lothar Stahl; Richard J. Staples","Ring Opening of Dilithio Bis(amido)cyclodiphosphazanes As a Route to 1,3-Diaza-2λ2-phosphaallyl Gallium Complexes","Inorganic Chemistry","1999","38","","5814","5819","10.1021/ic990553e","","","0.71073","MoKα","","0.0609","0.0501","","","0.1309","0.1395","","","","","","1.107","","","","has coordinates","179328","2020-10-21","18:00:00",""
"4322538","14.054","0.003","21.842","0.004","9.856","0.002","90","","90","","90","","3025.5","1","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H41 Cl3 N2 Zr -","- C29 H41 Cl3 N2 Zr -","- C116 H164 Cl12 N8 Zr4 -","4","0.5","","Lena Kakaliou; Scanlon; Baixin Qian; Sung W. Baek; Milton R. Smith; Douglas H. Motry","Five- and Six-Coordinate Group 4 Compounds Stabilized by β-Ketiminate and Diketiminate Ligands: Syntheses and Comparisons between Solid-State and Solution Structures","Inorganic Chemistry","1999","38","","5964","5977","10.1021/ic981364j","","","0.71073","MoKα","","0.0493","0.0345","","0.1144","0.1032","","","","0.859","0.863","0.863","","","","","has coordinates","179328","2020-10-21","18:00:00",""
"4322599","16.2938","0.0004","9.5386","0.0001","5.8963","0.0001","90","","90","","90","","916.4","0.03","173","2","173","2","","","","","","","Prof. T. Hanusa - Vanderbilt University","3","P n m a","-P 2ac 2n","62","97087c","","","- C10 H10 Pb -","- C10 H10 Pb -","- C40 H40 Pb4 -","4","0.5","","Jason S. Overby; Timothy P. Hanusa; Victor G. Young","Redetermination of the Zigzag Modification of Plumbocene at 173 K","Inorganic Chemistry","1998","37","","163","165","10.1021/ic970980x","","","0.71073","MoKα","","0.0405","0.0341","","0.0869","0.0752","","","","1.111","1.13","1.13","","","","","has coordinates,has disorder","179328","2020-10-21","18:00:00",""
"4322609","18.562","0.003","15.14","0.003","9.703","0.003","90","","90","","90","","2726.8","1.1","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C24 H41 Br2 N3 Ni O S2 -","- C24 H41 Br2 N3 Ni O S2 -","- C96 H164 Br8 N12 Ni4 O4 S8 -","4","0.5","","Ghezai Musie; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Synthesis, Structures, and Electrochemical Properties of Nickel Complexes of Macrocyclic N2S2 Aminothioethers","Inorganic Chemistry","1998","37","","302","310","10.1021/ic970526t","","","0.71073","MoKa","","0.097","0.0437","","0.1156","0.0987","","","","1.047","1.121","1.121","","","","","has coordinates","179329","2020-10-21","18:00:00",""
"4322681","17.192","0.002","21.649","0.004","7.742","0.001","90","","90","","90","","2881.5","0.7","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","E","","","- C31 H24 As Mo O4 P -","- C31 H24 As Mo O4 P -","- C124 H96 As4 Mo4 O16 P4 -","4","0.5","","Kalyani Maitra; Vincent J. Catalano; Jerry Clark; John H. Nelson","Synthesis and Characterization of Unsymmetrical (cis-(Phosphino-arsino)ethene)tetracarbonylmolybdenum Complexes: Hydroarsination Reactions of (H3CC\τbCPPh2)Mo(CO)5 and [H2CCCH(DBP)]Mo(CO)5 and Hydrophosphination Reactions of (Ph2AsCH2C\τbCH)Mo(CO)5","Inorganic Chemistry","1998","37","","1105","1111","10.1021/ic9711170","","","0.71073","MoKα","","0.1059","0.0544","","0.1432","0.1215","","","","1.04","1.156","1.156","","","","","has coordinates,has disorder","179329","2020-10-21","18:00:00",""
"4322760","27.178","0.003","11.417","0.001","9.133","0.001","90","","90","","90","","2833.9","0.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H Ba F6 N24 O10 -","- C21 H29 Ba F6 N O10 -","- C84 H116 Ba4 F24 N4 O40 -","4","0.5","","William A. Wojtczak; Mark J. Hampden-Smith; Eileen N. Duesler","Synthesis, Characterization, and Thermal Behavior of Polydentate Ligand Adducts of Barium Trifluoroacetate","Inorganic Chemistry","1998","37","","1781","1790","10.1021/ic9613220","","","0.71073","MoKα","","0.0782","0.053","","0.074","0.0659","","","","","1.37","1.37","","","","","has coordinates,has disorder","179330","2020-10-21","18:00:00",""
"4322923","13.906","0.005","12.578","0.004","13.072","0.003","90","","90","","90","","2286.4","1.2","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","[(2,2'-bipyridyl)dimethylbis(selenophenolato)palladium(IV)]","","- C24 H24 N2 Pd Se2 -","- C30 H29 N2 Pd Se2 -","- C120 H116 N8 Pd4 Se8 -","4","0.5","","Allan J. Canty; Hong Jin; Brian W. Skelton; Allan H. White","Oxidation of Complexes by (O2CPh)2 and (ER)2 (E = S, Se), Including Structures of Pd(CH2CH2CH2CH2)(SePh)2(bpy) (bpy = 2,2'-Bipyridine) and MMe2(SePh)2(L2) (M = Pd, Pt; L2= bpy, 1,10-Phenanthroline) and C...O and C...E Bond Formation at Palladium(IV)","Inorganic Chemistry","1998","37","","3975","3981","10.1021/ic9715005","","","0.71073","Mo-K","","0.078","0.045","","0.065","0.055","","","","1.417","1.548","1.548","","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4322924","13.92","0.005","12.575","0.004","13.038","0.006","90","","90","","90","","2282.2","1.5","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","[(2,2'-bipyridyl)dimethylbis(sleno phenalato)palladium(IV)]","","- C24 H24 N2 Pt Se2 -","- C30 H29 N2 Pt Se2 -","- C120 H116 N8 Pt4 Se8 -","4","0.5","","Allan J. Canty; Hong Jin; Brian W. Skelton; Allan H. White","Oxidation of Complexes by (O2CPh)2 and (ER)2 (E = S, Se), Including Structures of Pd(CH2CH2CH2CH2)(SePh)2(bpy) (bpy = 2,2'-Bipyridine) and MMe2(SePh)2(L2) (M = Pd, Pt; L2= bpy, 1,10-Phenanthroline) and C...O and C...E Bond Formation at Palladium(IV)","Inorganic Chemistry","1998","37","","3975","3981","10.1021/ic9715005","","","0.71073","Mo-K","","0.082","0.042","","0.063","0.052","","","","1.405","1.576","1.576","","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4323101","15.791","0.007","10.465","0.005","21.716","0.002","90","","90","","90","","3589","2","233","2","233","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C11 H44 Eu N15 Ni2 O22 -","- C11 H38 Eu N15 Ni2 O22 -","- C44 H152 Eu4 N60 Ni8 O88 -","4","0.5","","T. M. Rajendiran; Olivier Kahn; Stéphane Golhen; Lahcène Ouahab; Zentaro Honda; Koichi Katsumata","Dimerized Nickel2+ Chain Compounds with Nitro-Nitrito Bridges and Unprecedented [Ln(NO3)4(CH3OH)2]- Anions (Ln = Lanthanide). Crystal Structure and Magnetic Properties","Inorganic Chemistry","1998","37","","5693","5696","10.1021/ic980458q","","","0.71073","MoKα","","0.0617","0.0439","","0.2","0.1269","","","","1.188","1.231","1.231","","","","","has coordinates","179334","2020-10-21","18:00:00",""
"4323141","10.609","0.002","17.262","0.005","7.7003","0.0018","90","","90","","90","","1410.2","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As3 F20 H2 La -","- As3 F20 H2 La -","- As12 F80 H8 La4 -","4","0.5","","Z. Mazej; Horst Borrmann; Karel Lutar; Boris Žemva","Metal Coordinated HFA Unique Case","Inorganic Chemistry","1998","37","","5912","5914","10.1021/ic980716j","","","0.71073","MoKα","","0.0226","0.0192","","","0.0511","0.0523","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323246","18.422","0.002","11.85","0.001","11.434","0.001","90","","90","","90","","2496.1","0.4","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H30 B N8 O2 P2 Re -","- C18 H30 B N8 O2 P2 Re -","- C72 H120 B4 N32 O8 P8 Re4 -","4","0.5","","António Paulo; K. Rajender Reddy; Ângela Domingos; Isabel Santos","Neutral trans-Dioxorhenium(V) Complexes with the Anionic Tetrakis(pyrazolyl)borate Ligand","Inorganic Chemistry","1998","37","","6807","6813","10.1021/ic980422y","","","0.71073","MoKα","","0.0404","0.0288","","0.068","0.0596","","","","1.071","1.088","1.088","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323260","19.55","0.005","18.346","0.005","14.473","0.003","90","","90","","90","","5191","2","208","2","208","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H72 Mo2 P4 Si4 -","- C32 H72 Mo2.0002 P4 Si4 -","- C128 H288 Mo8.0008 P16 Si16 -","4","0.5","","Kevin D. John; Vincent M. Miskowski; Michael A. Vance; Richard F. Dallinger; Louis C. Wang; Steven J. Geib; Michael D. Hopkins","Molecular Structures, Vibrational Spectroscopy, and Normal-Mode Analysis of M2(C\τbCR)4(PMe3)4 Dimetallatetraynes. Observation of Strongly Mixed Metal-Metal and Metal-Ligand Vibrational Modes","Inorganic Chemistry","1998","37","","6858","6873","10.1021/ic980866u","","","0.71073","MoKα","","0.0774","0.0444","","0.1187","0.0913","","","","1.011","1.046","1.046","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323282","19.2961","0.0006","6.8561","0.0002","7.5935","0.0002","90","","90","","90","","1004.59","0.05","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","MeCOC(Ph):C(Me)OH","","","- C11 H12 O2 -","- C11 H12 O2 -","- C44 H48 O8 -","4","0.5","","A. Döhring; R. Goddard; P. W. Jolly; C. Krüger; V. R. Polyakov","Monomer-Trimer Isomerism in 3-Substituted Pentane-2,4-dione Derivatives of Nickel(II)","Inorganic Chemistry","1997","36","","177","183","10.1021/ic960441c","","","1.54178","CuKα","","0.0756","0.0708","","0.2381","0.2317","","","","1.154","1.207","1.207","","","","","has coordinates,has disorder","179335","2020-10-21","18:00:00",""
"4323518","10.06","0.002","4.3614","0.001","22.934","0.004","90","","90","","90","","1006.2","0.4","295","2","295","2","","","","","","","","3","P n m a","-P 2ac 2n","62","strontium tin antimonide","strontium tritin tetraantimonide","","- Sb4 Sn3 Sr -","- Sb4 Sn3 Sr -","- Sb16 Sn12 Sr4 -","4","0.5","","Donna T. Chow; Robert McDonald; Arthur Mar","Synthesis and Structure of the Zintl Phase SrSn3Sb4","Inorganic Chemistry","1997","36","","3750","3753","10.1021/ic9612212","","","0.71073","MoKα","","0.0942","0.0561","","0.1357","0.1174","","","","1.055","1.103","1.103","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323551","21.156","0.001","24.584","0.003","11.713","0.002","90","","90","","90","","6091.9","1.3","193","2","193","2","","","","","","","reaction of ZrCl4 with HSnBu3 followed addition of [Et4N]Cl","5","P n m a","-P 2ac 2n","62","","tris(tetraethylammonium) dodecakis-μ-chloro-hexachloro-pentahydrido- hexa-zirconium 2.43-acetonitrile solvate","","- C28.87 H70.92 Cl18 N5.43 Zr6 -","- C14.22 H23 Cl9 N2.61 Zr3 -","- C113.76 H184 Cl72 N20.88 Zr24 -","8","1","","Linfeng Chen; F. Albert Cotton; William A. Wojtczak","Synthesis and Structural Characterization of Compounds Containing the [Zr6Cl18H5]3- Cluster Anion. Determination of the Number of Cluster Hydrogen Atoms","Inorganic Chemistry","1997","36","","4047","4054","10.1021/ic960173i","","","0.71073","MoKα","","0.1038","0.0862","","0.1782","0.1676","","","","1.26","1.298","1.298","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323728","11.998","0.001","13.167","0.002","7.449","","90","","90","","90","","1176.8","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","bis(N,N'-Dimethyl-2,4-diaminopentane)dichloroplatinum(II) ?","","- C7 H18 Cl2 N2 Pt -","- C7 H18 Cl2 N2 Pt -","- C28 H72 Cl8 N8 Pt4 -","4","0.5","","Leonardo Cerasino; Kevin M. Williams; Francesco P. Intini; Renzo Cini; Luigi G. Marzilli; Giovanni Natile","Factors Influencing the Configuration and Conformation of Diamine Chelate Rings in Platinum(II) Compounds: 2,4-Bis(methylamino)pentane Complexes","Inorganic Chemistry","1997","36","","6070","6079","10.1021/ic970704i","","","0.71073","MoKα","","0.0343","0.0266","","0.0626","0.0594","","","","1.075","1.115","1.115","","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4323768","19.849","0.003","15.015","0.003","8.2106","0.0011","90","","90","","90","","2447","0.7","183","2","183","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H6 Ag B F18 N6 -","- C17 H4 Ag B F18 N6 -","- C68 H16 Ag4 B4 F72 N24 -","4","0.5","","H. V. Rasika Dias; Ziyun Wang; Wiechang Jin","Synthesis and Chemistry of [Hydrotris(3,5-bis(trifluoromethyl)pyrazolyl)borato]silver(I) Complexes","Inorganic Chemistry","1997","36","","6205","6215","10.1021/ic9712028","","","0.71073","MoKα","","0.0453","0.0354","","0.0812","0.077","","","","1.094","1.138","1.138","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323847","16.187","0.002","15.823","0.002","11.677","0.001","90","","90","","90","","2990.8","0.6","173","","173","","","","","","","","","7","P n m a","-P 2ac 2n","62","[Cp*IrCl(dab)](PF6)","","","- C28 H35 Cl F6 Ir N2 P -","- C28 H40 Cl F6 Ir N2 P -","- C112 H160 Cl4 F24 Ir4 N8 P4 -","4","0.5","","Stefan Greulich; Wolfgang Kaim; Andreas F. Stange; Hermann Stoll; Jan Fiedler; Stanislav Záliš","Cp*Ir(dab) (dab = 1,4-Bis(2,6-dimethylphenyl)-1,4-diazabutadiene): A Coordinatively Unsaturated Six-π-Electron Metallaheteroaromatic Compound?","Inorganic Chemistry","1996","35","","3998","4002","10.1021/ic9514814","","","0.71073","MoKα","","0.0843","0.0588","","0.1644","0.1454","","","","1.041","1.065","1.065","","","","","has coordinates,has disorder","179341","2020-10-21","18:00:00",""
"4323978","13.351","0.0013","4.41","0.0005","24.449","0.003","90","","90","","90","","1439.5","0.3","223","2","223","2","","","","","","","Rxn. of BaO, La, Sb, Sn at 900 C","3","P n m a","-P 2ac 2n","62","Barium tin antimonide","Dibarium hexaantimonidotristannate","","- Ba2 Sb6 Sn3 -","- Ba2 Sb6 Sn3 -","- Ba8 Sb24 Sn12 -","4","0.5","","Robert Lam; Arthur Mar","Synthesis and Structure of Ba2Sn3Sb6, a Zintl Phase Containing Channels and Chains","Inorganic Chemistry","1996","35","","6959","6963","10.1021/ic960716o","","","0.71073","MoKα","","0.0986","0.0562","","0.105","0.0903","","","","1.015","1.084","1.084","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324013","13.54","0.002","12.774","0.003","16.873","0.003","90","","90","","90","","2918.4","1","293","","293","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C23 H32 Cl2 F6 P Rh S4 -","- C23 H32 Cl2 F6 P Rh S4 -","- C92 H128 Cl8 F24 P4 Rh4 S16 -","4","0.5","","Niranjan Goswami; Roger Alberto; Charles L. Barnes; Silvia Jurisson","Rhodium(III) Complexes with Acyclic Tetrathioether Ligands. Effects of Backbone Chain Length on the Conformation of the Rh(III) Complex","Inorganic Chemistry","1996","35","","7546","7555","10.1021/ic960952z","","","0.7093","MolybdenumKα","","0.039","0.039","","0.047","0.047","","","","","1.29","1.29","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324064","12.356","0.001","10.937","0.001","16.233","0.002","90","","90","","90","","2193.7","0.4","295","","295","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H24 B2 F8 Pd Se4 -","- C12 H24 B2 F8 Pd Se4 -","- C48 H96 B8 F32 Pd4 Se16 -","4","0.5","","Raymond J. Batchelor; Frederick W. B. Einstein; Ian D. Gay; Jian Gu; B. Mario Pinto; Xuemin Zhou","Stereochemical Analysis of Palladium(II) Complexes of the Selenium Coronands 1,5,9,13-Tetraselenacyclohexadecane and 1,5,9,13,17,21-Hexaselenacyclotetracosane","Inorganic Chemistry","1996","35","","3667","3674","10.1021/ic951151j","","","0.7093","MolybdenumKα","","","0.036","","","0.047","","","","","1.52","1.52","","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4324088","17.863","0.004","7.316","0.002","7.177","0.001","90","","90","","90","","937.9","0.4","9","2","9","2","","","","","","","","3","P n m a","-P 2ac 2n","62","dodecahydro-arachno-bis-amine","","","- B10 H18 N2 -","- B10 H18 N2 -","- B40 H72 N8 -","4","0.5","","Stefan Mebs; Roman Kalinowski; Simon Grabowsky; Diana Förster; Rainer Kickbusch; Eugen Justus; Wolfgang Morgenroth; Carsten Paulmann; Peter Luger; Detlef Gabel; Dieter Lentz","Real-Space Indicators for Chemical Bonding. Experimental and Theoretical Electron Density Studies of Four Deltahedral Boranes","Inorganic Chemistry","2011","50","","90","103","10.1021/ic1013158","","","0.5166","synchrotron","","0.056","0.025","","","","0.061","0.036","","","","","0.448","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324253","19.8584","0.0008","29.4243","0.0013","14.1231","0.0008","90","","90","","90","","8252.4","0.7","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C46 H142 B33 Cu N8 Sn3 -","- C46 H142 B33 Cu N8 Sn3 -","- C184 H568 B132 Cu4 N32 Sn12 -","4","0.5","","Hartmut Schubert; Jörg-Alexander Dimmer; Fritz-Robert Küchle; Klaus Eichele; Lars Wesemann","Homoleptic Coinage Metal Compounds of Group(IV) heteroborates","Inorganic Chemistry","2011","50","","664","670","10.1021/ic102118n","","","0.71073","MoKα","","0.0839","0.0641","","","0.1529","0.164","","","","","","1.053","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324343","14.0638","0.0008","9.8813","0.0007","14.0008","0.001","90","","90","","90","","1945.7","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- B2 Cl Co3 Na6 O22 P5 -","- B2 Cl Co3 Na6 O22 P5 -","- B8 Cl4 Co12 Na24 O88 P20 -","4","0.5","","Tan Su; Hongzhu Xing; Jin Xu; Jihong Yu; Ruren Xu","Ionothermal Syntheses and Characterizations of New Open-Framework Metal Borophosphates","Inorganic Chemistry","2011","50","","1073","1078","10.1021/ic101713y","","","0.71073","MoKα","","0.1019","0.0511","","","0.1351","0.1637","","","","","","0.958","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324347","8.2219","0.0016","4.1925","0.0008","13.625","0.003","90","","90","","90","","469.66","0.16","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ru2 Sn2 Zn3 -","- Ru2 Sn2 Zn3 -","- Ru8 Sn8 Zn12 -","4","0.5","","Ding-Bang Xiong; Norihiko L. Okamoto; Haruyuki Inui","Planar Symmetry Incompatibility in Ru-Sn-Zn Pseudo-Decagonal Approximants Composed of Novel Pentagonal Antiprisms","Inorganic Chemistry","2011","50","","827","835","10.1021/ic101720m","","","0.71073","MoKα","","0.0386","0.0369","","","0.0891","0.0916","","","","","","1.193","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324348","8.3394","0.0017","4.2914","0.0009","28.864","0.006","90","","90","","90","","1033","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ru4.15 Sn4.96 Zn5.85 -","- Ru4.16 Sn4.963 Zn5.84 -","- Ru16.64 Sn19.852 Zn23.36 -","4","0.5","","Ding-Bang Xiong; Norihiko L. Okamoto; Haruyuki Inui","Planar Symmetry Incompatibility in Ru-Sn-Zn Pseudo-Decagonal Approximants Composed of Novel Pentagonal Antiprisms","Inorganic Chemistry","2011","50","","827","835","10.1021/ic101720m","","","0.71073","MoKα","","0.0594","0.045","","","0.1082","0.115","","","","","","1.052","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324351","11.7435","0.0006","8.0479","0.0004","7.4108","0.0004","90","","90","","90","","700.4","0.06","100","2","100","2","","","","","","","","2","P n m a","-P 2ac 2n","62","Neptunium sulfide","","","- Np3 S5 -","- Np3 S5 -","- Np12 S20 -","4","0.5","","Geng Bang Jin; S. Skanthakumar; Richard G. Haire; L. Soderholm; James A. Ibers","Syntheses, Structures, and Magnetic Properties of Np3S5 and Np3Se5","Inorganic Chemistry","2011","50","","1084","1088","10.1021/ic101915x","","","0.71073","MoKα","","0.0197","0.0183","","","0.04","0.0405","","","","","","1.451","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324352","12.2863","0.0005","8.3499","0.0004","7.7583","0.0003","90","","90","","90","","795.92","0.06","100","2","100","2","","","","","","","","2","P n m a","-P 2ac 2n","62","Neptunium selenide","","","- Np3 Se5 -","- Np3 Se5 -","- Np12 Se20 -","4","0.5","","Geng Bang Jin; S. Skanthakumar; Richard G. Haire; L. Soderholm; James A. Ibers","Syntheses, Structures, and Magnetic Properties of Np3S5 and Np3Se5","Inorganic Chemistry","2011","50","","1084","1088","10.1021/ic101915x","","","0.71073","MoKα","","0.0233","0.0222","","","0.0472","0.0474","","","","","","1.863","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324373","26.11","0.03","32.049","0.014","18.408","0.011","90","","90","","90","","15404","2","173","2","173","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C6 H121 N Na16 O160 Sb3 W28 Y3 -","- C6 H9 Na5.8 O126 Sb3 W28 Y3 -","- C24 H36 Na23.2 O504 Sb12 W112 Y12 -","4","0.5","","Masooma Ibrahim; Sib Sankar Mal; Bassem S. Bassil; Abhishek Banerjee; Ulrich Kortz","Yttrium(III)-Containing Tungstoantimonate(III) Stabilized by Tetrahedral WO42-Capping Unit, [{Y(α-SbW9O31(OH)2)(CH3COO)(H2O)}3(WO4)]17-","Inorganic Chemistry","2011","50","","956","960","10.1021/ic102149c","","","0.71073","MoKα","","0.1159","0.0762","","","0.1998","0.2358","","","","","","1.094","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324397","10.2966","0.0003","36.5438","0.0009","11.4905","0.0002","90","","90","","90","","4323.61","0.18","183","2","183","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis(2-(4-(2-phenylethynyl)phenyl)ethynyl))-(1,1'-dipentyl-3,3'-methylene-diimidazoline-\\ 2,2'-diylidene)-platinum(II) dichloromethane solvate","","- C50 H48 Cl2 N4 Pt -","- C50 H48 Cl2 N4 Pt -","- C200 H192 Cl8 N16 Pt4 -","4","0.5","","Yuzhen Zhang; Jai Anand Garg; Clément Michelin; Thomas Fox; Olivier Blacque; Koushik Venkatesan","Synthesis and Luminescent Properties of cis Bis-N-Heterocyclic Carbene Platinum(II) Bis-Arylacetylide Complexes","Inorganic Chemistry","2011","50","","1220","1228","10.1021/ic101632v","","","0.71073","MoKα","","0.0887","0.0699","","","0.1625","0.167","","","","","","1.18","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324465","34.2541","0.0015","9.8188","0.0007","16.7885","0.0012","90","","90","","90","","5646.5","0.6","293","2","293","2","","","","","","","synthesis as described","9","P n m a","-P 2ac 2n","62","","","","- C29 H82 Cl2 Co Fe N14 O22 Rh S2 -","- C29 H54 Cl2 Co Fe N14 O22 Rh S2 -","- C116 H216 Cl8 Co4 Fe4 N56 O88 Rh4 S8 -","4","0.5","","Paul V. Bernhardt; Manuel Martínez; Carlos Rodríguez; Marta Vazquez","Discrete RhIII/FeII and RhIII/FeII/CoIII Cyanide-Bridged Mixed Valence Compounds","Inorganic Chemistry","2011","50","","1429","1440","10.1021/ic102061s","","x-ray","1.54184","CuKα","","0.1089","0.0633","","","0.1618","0.1796","","","","","","0.894","","","","has coordinates,has disorder","179347","2020-10-21","18:00:00",""
"4324536","23.9643","0.0002","27.8303","0.0003","10.2198","0.0001","90","","90","","90","","6815.93","0.11","173","2","173","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","","","","- C36 H49 Cl N2 Sn -","- C36 H49 Cl N2 Sn -","- C288 H392 Cl8 N16 Sn8 -","8","1","","Lorenzo Ferro; Peter B. Hitchcock; Martyn P. Coles; Hazel Cox; J. Robin Fulton","Activation of Carbon Dioxide by Divalent Tin Alkoxides Complexes","Inorganic Chemistry","2011","50","","1879","1888","10.1021/ic102273n","","x-ray","0.71073","MoKα","","0.0437","0.031","","","0.0612","0.0649","","","","","","1.063","","","","has coordinates,has disorder","179348","2020-10-21","18:00:00",""
"4324596","16.6243","0.0003","18.924","0.0007","10.4192","0.0002","90","","90","","90","","3277.86","0.15","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H38 N2 O5 Sn W -","- C31 H38 N2 O5 Sn W -","- C124 H152 N8 O20 Sn4 W4 -","4","0.5","","Stephen M. Mansell; Rolfe H. Herber; Israel Nowik; Douglas H. Ross; Christopher A. Russell; Duncan F. Wass","Coordination Chemistry of N-Heterocyclic Stannylenes: A Combined Synthetic and Mössbauer Spectroscopy Study","Inorganic Chemistry","2011","50","","2252","2263","10.1021/ic101920x","","","0.71073","MoKα","","0.0637","0.0285","","","0.0486","0.0542","","","","","","0.913","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324619","18.9705","0.0017","19.4783","0.0018","12.0751","0.0011","90","","90","","90","","4461.9","0.7","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H39 Co3 N4 O12 -","- C32 H39 Co3 N4 O12 -","- C128 H156 Co12 N16 O48 -","4","0.5","","Qing Chen; Jian-Bin Lin; Wei Xue; Ming-Hua Zeng; Xiao-Ming Chen","A Porous Coordination Polymer Assembled from 8-Connected {CoII3(OH)} Clusters and Isonicotinate: Multiple Active Metal Sites, Apical Ligand Substitution, H2 Adsorption, and Magnetism","Inorganic Chemistry","2011","50","","2321","2328","10.1021/ic102015g","","","0.71073","MoKα","","0.0905","0.0886","","","0.2401","0.2417","","","","","","1.077","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324620","18.986","0.004","19.683","0.004","12.081","0.002","90","","90","","90","","4514.7","1.5","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H35 Co3 N5 O15 -","- C30 H35 Co3 N5 O15 -","- C120 H140 Co12 N20 O60 -","4","0.5","","Qing Chen; Jian-Bin Lin; Wei Xue; Ming-Hua Zeng; Xiao-Ming Chen","A Porous Coordination Polymer Assembled from 8-Connected {CoII3(OH)} Clusters and Isonicotinate: Multiple Active Metal Sites, Apical Ligand Substitution, H2 Adsorption, and Magnetism","Inorganic Chemistry","2011","50","","2321","2328","10.1021/ic102015g","","","0.71073","MoKα","","0.1006","0.0882","","","0.2559","0.2653","","","","","","1.075","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324621","18.7824","0.0012","19.6842","0.0012","12.049","0.0007","90","","90","","90","","4454.7","0.5","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H29 Co3 N5 O15 -","- C27 H29 Co3 N5 O15 -","- C108 H116 Co12 N20 O60 -","4","0.5","","Qing Chen; Jian-Bin Lin; Wei Xue; Ming-Hua Zeng; Xiao-Ming Chen","A Porous Coordination Polymer Assembled from 8-Connected {CoII3(OH)} Clusters and Isonicotinate: Multiple Active Metal Sites, Apical Ligand Substitution, H2 Adsorption, and Magnetism","Inorganic Chemistry","2011","50","","2321","2328","10.1021/ic102015g","","","0.71073","MoKα","","0.0966","0.0815","","","0.2508","0.264","","","","","","1.042","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324622","18.9542","0.0019","19.697","0.002","12.0228","0.0013","90","","90","","90","","4488.6","0.8","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H34 Co3 N5 O15 -","- C30 H34 Co3 N5 O15 -","- C120 H136 Co12 N20 O60 -","4","0.5","","Qing Chen; Jian-Bin Lin; Wei Xue; Ming-Hua Zeng; Xiao-Ming Chen","A Porous Coordination Polymer Assembled from 8-Connected {CoII3(OH)} Clusters and Isonicotinate: Multiple Active Metal Sites, Apical Ligand Substitution, H2 Adsorption, and Magnetism","Inorganic Chemistry","2011","50","","2321","2328","10.1021/ic102015g","","","0.71073","MoKα","","0.0962","0.0867","","","0.259","0.2709","","","","","","1.009","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324709","25.144","0.008","19.41","0.006","13.355","0.005","90","","90","","90","","6518","4","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C4 H62 Ag As2 Mo15 N13 O60 -","- C4 Ag As2 Mo15 N2 O71 -","- C16 Ag4 As8 Mo60 N8 O284 -","4","0.5","","Yanping Zhang; Lili Li; Tao Sun; Bin Liu; Huaiming Hu; Ganglin Xue","A Cagelike Polyanion with a Ag+ Enwrapped, [AgAs2Mo15O54]11-","Inorganic Chemistry","2011","50","","2613","2618","10.1021/ic102459r","","","0.71073","MoKα","","0.1043","0.0606","","","0.1583","0.1692","","","","","","0.995","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324710","25.556","0.008","19.643","0.006","13.527","0.004","90","","90","","90","","6791","4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Ag As2 H60 Mo15 N11 O62 -","- Ag As2 Mo15 O73 -","- Ag4 As8 Mo60 O292 -","4","0.5","","Yanping Zhang; Lili Li; Tao Sun; Bin Liu; Huaiming Hu; Ganglin Xue","A Cagelike Polyanion with a Ag+ Enwrapped, [AgAs2Mo15O54]11-","Inorganic Chemistry","2011","50","","2613","2618","10.1021/ic102459r","","","0.71073","MoKα","","0.1235","0.0734","","","0.1696","0.1827","","","","","","1.009","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324722","12.128","0.006","8.852","0.004","8.917","0.004","90","","90","","90","","957.3","0.8","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Fe S5 Sb -","- Ba2 Fe S5 Sb -","- Ba8 Fe4 S20 Sb4 -","4","0.5","","Lei Geng; Wen-Dan Cheng; Hao Zhang; Chen-Sheng Lin; Wei-Long Zhang; Ye-Yu Li; Zhang-Zhen He","Syntheses, Crystal and Electronic Structures, and Characterizations of Quaternary Antiferromagnetic Sulfides: Ba2MFeS5 (M = Sb, Bi)","Inorganic Chemistry","2011","50","","2378","2384","10.1021/ic102597y","","","0.71073","MoKα","","0.0233","0.0214","","","0.0537","0.0673","","","","","","1.222","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324723","12.121","0.005","8.913","0.004","8.837","0.004","90","","90","","90","","954.7","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Bi Fe S5 -","- Ba2 Bi Fe S5 -","- Ba8 Bi4 Fe4 S20 -","4","0.5","","Lei Geng; Wen-Dan Cheng; Hao Zhang; Chen-Sheng Lin; Wei-Long Zhang; Ye-Yu Li; Zhang-Zhen He","Syntheses, Crystal and Electronic Structures, and Characterizations of Quaternary Antiferromagnetic Sulfides: Ba2MFeS5 (M = Sb, Bi)","Inorganic Chemistry","2011","50","","2378","2384","10.1021/ic102597y","","","0.71073","MoKα","","0.036","0.0333","","","0.0788","0.1039","","","","","","1.159","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324764","31.637","0.006","6.9058","0.0014","10.956","0.002","90","","90","","90","","2393.7","0.8","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C23 H31 Cu N3 O3 S -","- C23 H31 Cu N3 O3 S -","- C92 H124 Cu4 N12 O12 S4 -","4","0.5","","Vladimir B. Arion; Peter Rapta; Joshua Telser; Sergiu S. Shova; Martin Breza; Karol Lušpai; Jozef Kožišek","Syntheses, Electronic Structures, and EPR/UV-Vis-NIR Spectroelectrochemistry of Nickel(II), Copper(II), and Zinc(II) Complexes with a Tetradentate Ligand Based on S-Methylisothiosemicarbazide","Inorganic Chemistry","2011","50","","2918","2931","10.1021/ic102277v","","","0.71073","MoKα","","0.0536","0.0382","","","0.0887","0.0967","","","","","","1.036","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324860","23.2804","0.0009","29.738","0.0011","11.1936","0.0004","90","","90","","90","","7749.5","0.5","180","2","180","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C74 H84 B2 Cl8 N2 Pt -","- C74 H78 B2 Cl8 N2 Pt -","- C296 H312 B8 Cl32 N8 Pt4 -","4","0.5","","Zachary M. Hudson; Christina Sun; Kristopher J. Harris; Bryan E. G. Lucier; Robert W. Schurko; Suning Wang","Probing the Structural Origins of Vapochromism of a Triarylboron-Functionalized Platinum(II) Acetylide by Optical and Multinuclear Solid-State NMR Spectroscopy","Inorganic Chemistry","2011","50","","3447","3457","10.1021/ic102349h","","","0.71073","MoKα","","0.0557","0.0451","","","0.1205","0.1253","","","","","","1.092","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324922","6.93699","0.00018","7.00094","0.00016","7.50868","0.00018","90","","90","","90","","364.662","0.015","10","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","RbCN3H4","","- C H4 N3 Rb -","- C H4 N3 Rb -","- C4 H16 N12 Rb4 -","4","0.5","","Veronika Hoepfner; Richard Dronskowski","RbCN3H4: The First Structurally Characterized Salt of a New Class of Guanidinate Compounds","Inorganic Chemistry","2011","50","","3799","3803","10.1021/ic2002089","powder diffraction","","","","","","","","","","","","3.7457","","","","","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4325001","17.074","0.0013","14.2666","0.0011","20.0974","0.0016","90","","90","","90","","4895.5","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H30 I2 N2 Pt -","- C20 H30 I2 N2 Pt -","- C160 H240 I16 N16 Pt8 -","8","1","","Joanna R. Webb; Colleen Munro-Leighton; Aaron W. Pierpont; Joshua T. Gurkin; T. Brent Gunnoe; Thomas R. Cundari; Michal Sabat; Jeffrey L. Petersen; Paul D. Boyle","Pt(II) and Pt(IV) Amido, Aryloxide, and Hydrocarbyl Complexes: Synthesis, Characterization, and Reaction with Dihydrogen and Substrates that Possess C-H Bonds","Inorganic Chemistry","2011","50","","4195","4211","10.1021/ic200153n","","","0.71073","MoKα","","0.0638","0.0487","","","0.1332","0.1474","","","","","","1.088","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325048","25.093","0.005","23.399","0.005","9.798","0.002","90","","90","","90","","5753","2","223","2","223","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C33 H49 B2 Cl7 Cu7 N13 S6 W2 -","- C33 H49 B2 Cl7 Cu7 N13 S6 W2 -","- C132 H196 B8 Cl28 Cu28 N52 S24 W8 -","4","0.5","","Li-Pei Wei; Zhi-Gang Ren; Lian-Wen Zhu; Wen-Yan Yan; Sha Sun; Hui-Fang Wang; Jian-Ping Lang; Zhen-Rong Sun","Construction of Halide-Bridged Tungsten-Copper-Sulfide Double Cubanelike Clusters from a New Precursor [(Tp*WS2)2(μ-S2)]","Inorganic Chemistry","2011","50","","4493","4502","10.1021/ic200147d","","","0.71073","MoKα","","0.0534","0.0473","","","0.1121","0.1161","","","","","","1.14","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325114","15.1818","0.0004","18.1649","0.0005","13.5297","0.0004","90","","90","","90","","3731.16","0.18","120","","120","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C27 H63 Cl Co Hf I N3 P3 -","- C27 H63 Cl Co Hf I N3 P3 -","- C108 H252 Cl4 Co4 Hf4 I4 N12 P12 -","4","0.5","","Vinay N. Setty; Wen Zhou; Bruce M. Foxman; Christine M. Thomas","Subtle Differences Between Zr and Hf in Early/Late Heterobimetallic Complexes with Cobalt","Inorganic Chemistry","2011","50","","4647","4655","10.1021/ic200445x","","","0.71073","MoKα","","0.055","0.0321","","0.0691","0.0624","0.0691","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325413","12.18","0.006","8.926","0.005","8.927","0.005","90","","90","","90","","970.5","0.9","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Bi Ga S5 -","- Ba2 Bi Ga S5 -","- Ba8 Bi4 Ga4 S20 -","4","0.5","","Lei Geng; Wen-Dan Cheng; Chen-Sheng Lin; Wei-Long Zhang; Hao Zhang; Zhang-Zhen He","Syntheses and Characterization of new Mid-Infrared Transparency Compounds: Centric Ba2BiGaS5 and Acentric Ba2BiInS5","Inorganic Chemistry","2011","50","","5679","5686","10.1021/ic2004358","","","0.71073","MoKα","","0.022","0.0208","","","0.0462","0.0467","","","","","","1.137","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325954","22.313","0.003","18.798","0.003","12.0022","0.0016","90","","90","","90","","5034.2","1.2","293","2","293","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C8 H18 Cu4 K3 N2 Na O50 Si W9 -","- C8 H18 Cu4 K3 N2 Na O50 Si W9 -","- C32 H72 Cu16 K12 N8 Na4 O200 Si4 W36 -","4","0.5","","Guillaume Rousseau; Olivier Oms; Anne Dolbecq; Jérôme Marrot; Pierre Mialane","Route for the Elaboration of Functionalized Hybrid 3d-Substituted Trivacant Keggin Anions","Inorganic Chemistry","2011","50","","7376","7378","10.1021/ic2011088","","","0.71073","MoKα","","0.0871","0.0622","","","0.1497","0.1588","","","","","","0.965","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4325959","21.7709","0.0005","52.9615","0.001","10.8215","0.0003","90","","90","","90","","12477.4","0.5","183","2","183","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C41.5 H45.5 Au3 Cl13.5 N4 P2 -","- C41.5 H45 Au3 Cl13.5 N4 P2 -","- C332 H360 Au24 Cl108 N32 P16 -","8","1","","Corinna Wetzel; Peter C. Kunz; Indre Thiel; Bernhard Spingler","Gold(I) Catalysts with Bifunctional P, N Ligands","Inorganic Chemistry","2011","50","","7863","7870","10.1021/ic2011259","","","0.7107","MoKα","","0.0785","0.0416","","","0.1005","0.1064","","","","","","0.933","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325977","14.0485","0.0002","12.405","0.0002","13.3384","0.0003","90","","90","","90","","2324.5","0.07","120","2","120","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","","","- C25 H28 Fe2 Mn O3 P -","- C25 H28 Fe2 Mn O3 P -","- C100 H112 Fe8 Mn4 O12 P4 -","4","0.5","","M. Angeles Alvarez; M. Esther García; Rocío González; Alberto Ramos; Miguel A. Ruiz","Heterometallic Derivatives of [Fe2Cp2(μ-PCy)(μ-CO)(CO)2]: Rational Synthesis of Polynuclear Complexes from Neutral Precursors Having Pyramidal-Phosphinidene Bridges","Inorganic Chemistry","2011","50","","7894","7906","10.1021/ic2012342","","x-ray","1.54184","CuKα","","0.0409","0.035","","","0.087","0.0939","","","","","","1.054","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325982","6.7507","0.001","16.9798","0.0013","12.9232","0.0007","90","","90","","90","","1481.3","0.3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16.25 H8 O5 V -","- C16.32 H8 O5 V -","- C65.28 H32 O20 V4 -","4","0.5","","Anh Phan; Alexander U. Czaja; Felipe Gándara; Carolyn B. Knobler; Omar M. Yaghi","Metal-Organic Frameworks of Vanadium as Catalysts for Conversion of Methane to Acetic Acid","Inorganic Chemistry","2011","50","","7388","7390","10.1021/ic201396m","","","1.54178","CuKα","","0.0964","0.0774","","","0.1833","0.1956","","","","","","1.041","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4326102","7.327","0.0003","7.3012","0.0003","10.2689","0.0004","90","","90","","90","","549.34","0.04","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cesium Tellurium Oxide","","- Cs O5.74 Te2 -","- Cs O5.743 Te1.999 -","- Cs4 O22.972 Te7.996 -","4","0.5","","Theeranun Siritanon; Jun Li; Judith K. Stalick; Robin T. Macaluso; Arthur W. Sleight; M. A. Subramanian","CsTe2O6-x: Novel Mixed-Valence Tellurium Oxides with Framework-Deficient Pyrochlore-Related Structure","Inorganic Chemistry","2011","50","","8494","8501","10.1021/ic2010375","powder diffraction","neutron","1.5401","neutron","","0.0627","0.0601","","","0.0739","0.0804","","","","","","1.74","","","","has coordinates","190393","2020-10-21","18:00:00",""
"4326173","11.6838","0.001","6.047","0.0005","7.0471","0.0006","90","","90","","90","","497.89","0.07","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H2 O6 S Th -","- H2 O6 S Th -","- H8 O24 S4 Th4 -","4","0.5","","Karah E. Knope; Richard E. Wilson; S. Skanthakumar; L. Soderholm","Synthesis and Characterization of Thorium(IV) Sulfates","Inorganic Chemistry","2011","50","","8621","8629","10.1021/ic201175u","","","0.71073","MoKα","","0.0204","0.0192","","","0.0454","0.0458","","","","","","1.197","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326175","18.139","0.002","11.1729","0.0014","14.3913","0.0019","90","","90","","90","","2916.6","0.6","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H18 O38 S7 Th4 -","- H18 O38 S7 Th4 -","- H72 O152 S28 Th16 -","4","0.5","","Karah E. Knope; Richard E. Wilson; S. Skanthakumar; L. Soderholm","Synthesis and Characterization of Thorium(IV) Sulfates","Inorganic Chemistry","2011","50","","8621","8629","10.1021/ic201175u","","","0.71073","MoKα","","0.0506","0.0328","","","0.0708","0.0777","","","","","","1.042","","","","has coordinates","189302","2020-10-21","18:00:00",""
"4326205","10.352","0.0006","22.807","0.0007","5.938","0.001","90","","90","","90","","1402","0.3","390","2","390","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cu K4 Mo3 O12 -","- Cu K4 Mo3 O12 -","- Cu4 K16 Mo12 O48 -","4","0.5","","Melissa C. Menard; Rieko Ishii; Satoru Nakatsuji; Julia Y. Chan","Structure and Magnetism of the Quasi-1-d K4Cu(MoO4)3 and the Structure of K4Zn(MoO4)3","Inorganic Chemistry","2011","50","","8767","8773","10.1021/ic200476n","","","0.71073","MoKα","","0.0696","0.0397","","","0.0974","0.1092","","","","","","1.061","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326206","10.688","0.001","22.022","0.001","6.105","0.001","90","","90","","90","","1436.9","0.3","390","2","390","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- K4 Mo3 O12 Zn -","- K4 Mo3 O12 Zn -","- K16 Mo12 O48 Zn4 -","4","0.5","","Melissa C. Menard; Rieko Ishii; Satoru Nakatsuji; Julia Y. Chan","Structure and Magnetism of the Quasi-1-d K4Cu(MoO4)3 and the Structure of K4Zn(MoO4)3","Inorganic Chemistry","2011","50","","8767","8773","10.1021/ic200476n","","","0.71073","MoKα","","0.0548","0.0391","","","0.1177","0.1382","","","","","","1.149","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326257","14.1228","0.0008","13.8457","0.0007","4.0654","0.0002","90","","90","","90","","794.95","0.07","123","1","123","1","","","","","","","see text","4","P n m a","-P 2ac 2n","62","","","","- B3 Br3 H3 N3 -","- B3 Br3 H3 N3 -","- B12 Br12 H12 N12 -","4","0.5","","Alexey Y. Timoshkin; Igor V. Kazakov; Anna S. Lisovenko; Michael Bodensteiner; Manfred Scheer","Fast H/D Exchange of B,B',B""-Tribromoborazine in C6D6 in the Presence of Aluminum Tribromide: First Evidence for an Electrophilic Substitution Reaction of Borazines in Solution","Inorganic Chemistry","2011","50","","9039","9044","10.1021/ic201240h","","x-ray","0.71073","MoKα","","0.0523","0.0323","","","0.0655","0.0697","","","","","","0.991","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326381","26.3455","0.0019","20.581","0.0015","15.0517","0.0011","90","","90","","90","","8161.3","1","90","","90","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C17 H69 Ge N7 O65 P2 W17 -","- C11 H5 Ge N4 O64 P2 W17 -","- C44 H20 Ge4 N16 O256 P8 W68 -","4","0.5","","Kenji Nomiya; Yoshihiro Togashi; Yuhki Kasahara; Shotaro Aoki; Hideaki Seki; Marie Noguchi; Shoko Yoshida","Synthesis and Structure of Dawson Polyoxometalate-Based, Multifunctional, Inorganic-Organic Hybrid Compounds: Organogermyl Complexes with One Terminal Functional Group and Organosilyl Analogues with Two Terminal Functional Groups","Inorganic Chemistry","2011","50","","9606","9619","10.1021/ic201336v","","","0.71073","MoKα","","0.064","0.0532","","","0.1348","0.1416","","","","","","1.127","","","","has coordinates,has disorder","179366","2020-10-21","18:00:00",""
"4326483","22.6785","0.0016","11.6237","0.0008","14.9172","0.001","90","","90","","90","","3932.3","0.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(Et4N)[Ni(pyN2iPr2)(HCO3)]","","","- C40 H58 N4 Ni O5 -","- C40 H37 N4 Ni O5 -","- C160 H148 N16 Ni4 O20 -","4","0.5","","Deguang Huang; Olga V. Makhlynets; Lay Ling Tan; Sonny C. Lee; Elena V. Rybak-Akimova; R. H. Holm","Fast Carbon Dioxide Fixation by 2,6-Pyridinedicarboxamidato-nickel(II)-hydroxide Complexes: Influence of Changes in Reactive Site Environment on Reaction Rates","Inorganic Chemistry","2011","50","","10070","10081","10.1021/ic200942u","","","0.71073","MoKα","","0.0951","0.0798","","","0.229","0.2498","","","","","","1.055","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326495","7.248","0.0003","24.9022","0.0015","20.3892","0.0012","90","","90","","90","","3680.1","0.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H13 O9 Sm Zn -","- C18 H13 O9 Sm Zn -","- C144 H104 O72 Sm8 Zn8 -","8","1","","Qi-Bing Bo; Hong-Yan Wang; Da-Qi Wang; Zhen-Wei Zhang; Jin-Ling Miao; Guo-Xin Sun","Structure and Photoluminescence Tuning Features of Mn2± and Ln3±Activated Zn-Based Heterometal-Organic Frameworks (MOFs) with a Single 5-Methylisophthalic Acid Ligand","Inorganic Chemistry","2011","50","","10163","10177","10.1021/ic201124c","","","0.71073","MoKα","","0.0498","0.0414","","","0.0957","0.1006","","","","","","1.068","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326496","7.2231","0.0005","24.777","0.002","20.3178","0.0019","90","","90","","90","","3636.2","0.5","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H13 Eu O9 Zn -","- C18 H13.03 Eu O9 Zn -","- C144 H104.24 Eu8 O72 Zn8 -","8","1","","Qi-Bing Bo; Hong-Yan Wang; Da-Qi Wang; Zhen-Wei Zhang; Jin-Ling Miao; Guo-Xin Sun","Structure and Photoluminescence Tuning Features of Mn2± and Ln3±Activated Zn-Based Heterometal-Organic Frameworks (MOFs) with a Single 5-Methylisophthalic Acid Ligand","Inorganic Chemistry","2011","50","","10163","10177","10.1021/ic201124c","","","0.71073","MoKα","","0.0325","0.0247","","","0.0501","0.0522","","","","","","1.047","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326590","8.2145","0.0001","22.6539","0.0004","9.8332","0.0002","90","","90","","90","","1829.86","0.05","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H20 Fe2 O -","- C24 H20 Fe2 O -","- C96 H80 Fe8 O4 -","4","0.5","","Alexander Hildebrandt; Dieter Schaarschmidt; Ron Claus; Heinrich Lang","Influence of Electron Delocalization in Heterocyclic Core Systems on the Electrochemical Communication in 2,5-Di- and 2,3,4,5-Tetraferrocenyl Thiophenes, Furans, and Pyrroles","Inorganic Chemistry","2011","50","","10623","10632","10.1021/ic200926z","","","0.71073","MoKα","","0.024","0.0206","","","0.0531","0.0539","","","","","","1.079","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326714","9.1017","0.0013","5.6379","0.0009","11.5149","0.0017","90","","90","","90","","590.88","0.15","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au4.3 In1.7 Sr -","- Au4.3 In1.7 Sr -","- Au17.2 In6.8 Sr4 -","4","0.5","","Qisheng Lin; John D. Corbett","Exploratory Syntheses and Structures of SrAu4.3In1.7 and CaAg3.5In1.9: Electron-Poor Intermetallics with Diversified Polyanionic Frameworks That Are Derived from the CaAu4In2 Approximant","Inorganic Chemistry","2011","50","","11091","11098","10.1021/ic2016275","","","0.71073","MoKα","","0.0615","0.0584","","","0.1487","0.1499","","","","","","1.245","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326722","12.5935","0.0008","4.1054","0.0003","11.5968","0.0007","90","","90","","90","","599.57","0.07","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","lanthanum zinc arsenide (1/3/3)","lanthanum zinc arsenide (1/3/3)","","- As3 La Zn3 -","- As3 La Zn3 -","- As12 La4 Zn12 -","4","0.5","","Stanislav S. Stoyko; Arthur Mar","Ternary Rare-Earth Arsenides REZn3As3 (RE = La-Nd, Sm) and RECd3As3 (RE = La-Pr)","Inorganic Chemistry","2011","50","","11152","11161","10.1021/ic201708x","","","0.71073","MoKα","","0.017","0.0162","","","0.0342","0.0344","","","","","","1.265","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326767","18.3532","0.0018","14.7661","0.0014","9.5624","0.0009","90","","90","","90","","2591.5","0.4","100","2","100","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H33 Cl3 Fe3 Mo N3 S4 -","- C15 H33 Cl3 Fe3 Mo N3 S4 -","- C60 H132 Cl12 Fe12 Mo4 N12 S16 -","4","0.5","","Amit Majumdar; R. H. Holm","Specific Incorporation of Chalcogenide Bridge Atoms in Molybdenum/Tungsten-Iron-Sulfur Single Cubane Clusters","Inorganic Chemistry","2011","50","","11242","11251","10.1021/ic2018117","","","0.71073","MoKα","","0.0713","0.0687","","","0.1662","0.1683","","","","","","1.062","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326916","21.2921","0.0015","19.4726","0.0014","10.6911","0.0008","90","","90","","90","","4432.7","0.6","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","tris acetonitrile nitrosyl nickel (0) hexafluorophosphate","","- C19 H27 Cl2 F18 N12 Ni3 O3 P3 -","- C19 H27 Cl2 F18 N12 Ni3 O3 P3 -","- C76 H108 Cl8 F72 N48 Ni12 O12 P12 -","4","0.5","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Late-Metal Nitrosyl Cations: Synthesis and Reactivity of [Ni(NO)(MeNO2)3][PF6]","Inorganic Chemistry","2011","50","","11746","11753","10.1021/ic201821t","","","0.71073","MoKα","","0.0869","0.0486","","","0.1069","0.1206","","","","","","0.973","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326944","8.9101","0.0018","11.829","0.002","7.1692","0.0014","90","","90","","90","","755.6","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F9 Rb Th2 -","- F9 Rb Th2 -","- F36 Rb4 Th8 -","4","0.5","","Christopher C. Underwood; Matthew Mann; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Descriptive Chemistry and Single Crystal Structure Determination of Cesium and Rubidium Thorium Fluorides","Inorganic Chemistry","2011","50","","11825","11831","10.1021/ic2019555","","","0.71073","MoKα","","0.0829","0.0797","","","0.2327","0.237","","","","","","1.079","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4327077","7.5607","0.0008","10.2342","0.0007","5.5156","0.0004","90","","90","","90","","426.78","0.06","100","2","100","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","","","","- F2 H Mn2 O3 P -","- F2 H Mn2 O3 P -","- F8 H4 Mn8 O12 P4 -","4","0.5","","Joseba Orive; José L. Mesa; Rolindes Balda; Joaquín Fernández; Jesús Rodríguez Fernández; Teófilo Rojo; María I. Arriortua","Enhancement of the Luminescent Properties of a New Red-Emitting Phosphor, Mn2(HPO3)F2, by Zn Substitution","Inorganic Chemistry","2011","50","","12463","12476","10.1021/ic201226t","","","0.71073","MoKα","","0.03","0.0191","","","0.0401","0.0424","","","","","","0.927","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327154","7.4526","0.0014","14.722","0.003","7.7698","0.0014","90","","90","","90","","852.5","0.3","273","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- La0.75 Si4 Y4.24 -","- La0.754 Si4 Y4.246 -","- La3.016 Si16 Y16.984 -","4","0.5","","Hui Wang; Fei Wang; Karah Jones; Gordon J. Miller","Chemical Pressure and Rare-Earth Orbital Contributions in Mixed Rare-Earth Silicides La5-xYxSi4 (0 <=x<= 5)","Inorganic Chemistry","2011","50","","12714","12723","10.1021/ic201840q","","","0.71073","MoKα","","0.0632","0.0365","","","0.0568","0.0642","","","","","","1.061","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327155","7.4262","0.0012","14.647","0.003","7.7337","0.0014","90","","90","","90","","841.2","0.3","273","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- La0.48 Si4 Y4.52 -","- La0.484 Si4 Y4.516 -","- La1.936 Si16 Y18.064 -","4","0.5","","Hui Wang; Fei Wang; Karah Jones; Gordon J. Miller","Chemical Pressure and Rare-Earth Orbital Contributions in Mixed Rare-Earth Silicides La5-xYxSi4 (0 <=x<= 5)","Inorganic Chemistry","2011","50","","12714","12723","10.1021/ic201840q","","","0.71073","MoKα","","0.1044","0.0532","","","0.0827","0.0978","","","","","","1.019","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327214","16.6366","0.0011","9.9935","0.0007","13.6266","0.0009","90","","90","","90","","2265.5","0.3","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","C1","","","- C19 H30 Cu Fe N6 O6 -","- C19 H30 Cu Fe N6 O6 -","- C76 H120 Cu4 Fe4 N24 O24 -","4","0.5","","Gilles Gasser; Matthew J. Belousoff; Alan M. Bond; Leone Spiccia","Binding of Nitrate to a CuII-Cyclen Complex Bearing a Ferrocenyl Pendant: Synthesis, Solid-State X-ray Structure, and Solution-Phase Electrochemical and Spectrophotometric Studies","Inorganic Chemistry","2007","46","","3876","3888","10.1021/ic061622+","","","0.71073","MoKα","","0.0633","0.0555","","","0.1286","0.1331","","","","","","1.16","","","","has coordinates,has disorder","179375","2020-10-21","18:00:00",""
"4327216","15.6403","0.0017","16.6383","0.0015","20.448","0.003","90","","90","","90","","5321.1","1.1","173","","173","1","","","","","","","see text","6","P n m a","-P 2ac 2n","62","","","","- C37 H30 Co11 Nb O17 Te5 -","- C37 H30 Co11 Nb O17 Te5 -","- C148 H120 Co44 Nb4 O68 Te20 -","4","0.5","","Olivier Cador; Hélène Cattey; Jean-François Halet; Walter Meier; Yves Mugnier; Joachim Wachter; Jean-Yves Saillard; Bachir Zouchoune; Manfred Zabel","Electron-Sponge Behavior and Electronic Structures in Cobalt-Centered Pentagonal Prismatic Co11Te7(CO)10 and Co11Te5(CO)15 Cluster Anions","Inorganic Chemistry","2007","46","","501","509","10.1021/ic061904+","","","0.71073","MoKα","","0.0858","0.0322","","","0.0779","0.1072","","","","","","0.553","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4327338","15.5514","0.0006","13.2092","0.0005","12.305","0.0005","90","","90","","90","","2527.71","0.17","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","3","","","- C20 H22 Ag Au B2 F8 N6 -","- C20 H22 Ag Au B2 F8 N6 -","- C80 H88 Ag4 Au4 B8 F32 N24 -","4","0.5","","Vincent J. Catalano; Adam L. Moore","Mono-, Di-, and Trinuclear Luminescent Silver(I) and Gold(I) N-Heterocyclic Carbene Complexes Derived from the Picolyl-Substituted Methylimidazolium Salt: 1-Methyl-3-(2-pyridinylmethyl)-1H-imidazolium Tetrafluoroborate","Inorganic Chemistry","2005","44","","6558","6566","10.1021/ic050604+","","","0.71073","MoKα","","0.0346","0.0288","","","0.0695","0.072","","","","","","1.084","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327402","7.5522","0.0004","10.4461","0.0005","9.3825","0.0005","90","","90","","90","","740.2","0.07","293","","293","","","","","","","","?","6","P n m a","-P 2ac 2n","62","","Potassium bromocyanocuprate","","- C2 Br Cu2 K N2 O -","- C2 Br Cu2 K N2 O -","- C8 Br4 Cu8 K4 N8 O4 -","4","0.5","","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","","0.0375","0.0293","","0.0348","0.0331","0.0331","","","","","","1.0508","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327447","14.79","0.03","12.54","0.02","12.98","0.02","90","","90","","90","","2407","7","110","2","110","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C14 H27 B F4 Fe2 O4 P2 S3 -","- C14 H27 B F4 Fe2 O4 P2 S3 -","- C56 H108 B4 F16 Fe8 O16 P8 S12 -","4","0.5","","Irene P. Georgakaki; Matthew L. Miller; Marcetta Y. Darensbourg","Requirements for Functional Models of the Iron Hydrogenase Active Site: D2/H2O Exchange Activity in {(μ-SMe)(μ-pdt)[Fe(CO)2(PMe3)]2+}[BF4-]","Inorganic Chemistry","2003","42","","2489","2494","10.1021/ic026005+","","","0.71073","MoKα","","0.2214","0.0592","","","0.0956","0.1518","","","","","","1.065","","","","has coordinates,has disorder","179377","2020-10-21","18:00:00",""
"4327555","7.2177","0.0002","29.7188","0.0003","10.9309","0.0002","90","","90","","90","","2344.69","0.08","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H5 Br4 Cl Cu N -","- C6 H5 Br3.981 Cl Cu N -","- C48 H40 Br31.848 Cl8 Cu8 N8 -","8","1","","Roger D. Willett","Bromination of the 3-Chloroanilinium Cation: Structure of a Novel Two-Dimensional Copper(I) Bromide Lattice Prepared via In-Situ Redox Processes","Inorganic Chemistry","2001","40","","966","971","10.1021/ic000699+","","","0.71073","MoKα","","0.0869","0.0679","","","0.1219","0.1304","","","","","","1.128","","","","has coordinates","179378","2020-10-21","18:00:00",""
"4327656","10.74","0.002","18.912","0.004","17.163","0.004","90","","90","","90","","3486.1","1.3","294","1","294","1","","","","","","","crystallized from acetone-toluene","7","P n m a","-P 2ac 2n","62","","","","- C24 H28 Br N6 O7 S4 V2 -","- C29 H24 Br2 N8 O8 S4 V2 -","- C116 H96 Br8 N32 O32 S16 V8 -","4","0.5","","Subodh Kanti Dutta; Satyabrata Samanta; Sujit Baran Kumar; Oc Hee Han; Pannee Burckel; A. Alan Pinkerton; Muktimoy Chaudhury","Mixed-Oxidation Divanadium(IV,V) Compound with Ligand Asymmetry: Electronic and Molecular Structure in Solution and in the Solid State","Inorganic Chemistry","1999","38","","1982","1988","10.1021/ic980743+","","","0.71073","Mo-Kα","","0.118","0.065","","","0.087","","","","","2.81","2.81","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327700","19.286","0.007","12.662","0.006","18.26","0.008","90","","90","","90","","4459","3","150","1","150","1","","","","","","","Reaction of Me4taaH2 + [(Bu-tHN)2Zr(mu-NBu-t)2Zr(NHBu-t)2]","4","P n m a","-P 2ac 2n","62","","[(Me4taa)Zr(mu-NBu-t)2Zr(NHBu-t)2] . C7H8","","- C45 H68 N8 Zr2 -","- C45 H68 N8 Zr2 -","- C180 H272 N32 Zr8 -","4","0.5","","Georgii I. Nikonov; Alexander J. Blake; Philip Mountford","Mononuclear Amido and Binuclear Imido Zirconium Complexes Supported by Dibenzotetraaza[14]annulene Ligands. X-ray Structure of [(Me4taa)Zr(μ-NR)2Zr(NHR)2] (R = Butor 2,6-C6H3Me2)","Inorganic Chemistry","1997","36","","1107","1112","10.1021/ic961209+","","","0.71073","MoKα","","","0.0441","","","0.0434","","","","","0.9519","0.9519","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4327887","7.827","0.004","16.764","0.005","9.679","0.005","90","","90","","90","","1270","1","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca2 O15 Se3 V2 -","- Ca2 O15 Se3 V2 -","- Ca8 O60 Se12 V8 -","4","0.5","","Jeongho Yeon; Sang-Hwan Kim; Sau Doan Nguyen; Hana Lee; P. Shiv Halasyamani","New Vanadium Selenites: Centrosymmetric Ca2(VO2)2(SeO3)3(H2O)2, Sr2(VO2)2(SeO3)3, and Ba(V2O5)(SeO3), and Noncentrosymmetric and Polar A4(VO2)2(SeO3)4(Se2O5) (A = Sr2+ or Pb2+)","Inorganic Chemistry","2012","51","","609","619","10.1021/ic2021403","","","0.71073","MoKα","","0.0464","0.0283","","","0.0641","0.0679","","","","","","0.936","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327889","13.9287","0.0007","5.3787","0.0003","8.9853","0.0005","90","","90","","90","","673.16","0.06","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba O8 Se V2 -","- Ba O8 Se V2 -","- Ba4 O32 Se4 V8 -","4","0.5","","Jeongho Yeon; Sang-Hwan Kim; Sau Doan Nguyen; Hana Lee; P. Shiv Halasyamani","New Vanadium Selenites: Centrosymmetric Ca2(VO2)2(SeO3)3(H2O)2, Sr2(VO2)2(SeO3)3, and Ba(V2O5)(SeO3), and Noncentrosymmetric and Polar A4(VO2)2(SeO3)4(Se2O5) (A = Sr2+ or Pb2+)","Inorganic Chemistry","2012","51","","609","619","10.1021/ic2021403","","","0.71073","MoKα","","0.0192","0.017","","","0.0404","0.0411","","","","","","1.045","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327892","7.8408","0.0012","4.0061","0.0006","10.8755","0.0017","90","","90","","90","","341.61","0.09","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge2 La Li -","- Ge2 La Li -","- Ge8 La4 Li4 -","4","0.5","","Svilen Bobev; Tae-Soo You; Nian-Tzu Suen; Shanta Saha; Richard Greene; Johnpierre Paglione","Synthesis, Structure, Chemical Bonding, and Magnetism of the Series ReLiGe2 (RE= La-Nd, Sm, Eu)","Inorganic Chemistry","2012","51","","620","628","10.1021/ic2021484","","","0.71073","MoKα","","0.022","0.0179","","","0.0402","0.0413","","","","","","1.049","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327893","7.816","0.003","3.9721","0.0015","10.757","0.004","90","","90","","90","","334","0.2","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ce Ge2 Li -","- Ce Ge2 Li -","- Ce4 Ge8 Li4 -","4","0.5","","Svilen Bobev; Tae-Soo You; Nian-Tzu Suen; Shanta Saha; Richard Greene; Johnpierre Paglione","Synthesis, Structure, Chemical Bonding, and Magnetism of the Series ReLiGe2 (RE= La-Nd, Sm, Eu)","Inorganic Chemistry","2012","51","","620","628","10.1021/ic2021484","","","0.71073","MoKα","","0.0249","0.0212","","","0.0451","0.0477","","","","","","1.055","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327894","7.7846","0.0006","3.9509","0.0003","10.687","0.0008","90","","90","","90","","328.69","0.04","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge2 Li Pr -","- Ge2 Li Pr -","- Ge8 Li4 Pr4 -","4","0.5","","Svilen Bobev; Tae-Soo You; Nian-Tzu Suen; Shanta Saha; Richard Greene; Johnpierre Paglione","Synthesis, Structure, Chemical Bonding, and Magnetism of the Series ReLiGe2 (RE= La-Nd, Sm, Eu)","Inorganic Chemistry","2012","51","","620","628","10.1021/ic2021484","","","0.71073","MoKα","","0.0197","0.0176","","","0.0383","0.039","","","","","","1.135","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327895","7.773","0.003","3.9361","0.0014","10.644","0.004","90","","90","","90","","325.7","0.2","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge2 Li Nd -","- Ge2 Li Nd -","- Ge8 Li4 Nd4 -","4","0.5","","Svilen Bobev; Tae-Soo You; Nian-Tzu Suen; Shanta Saha; Richard Greene; Johnpierre Paglione","Synthesis, Structure, Chemical Bonding, and Magnetism of the Series ReLiGe2 (RE= La-Nd, Sm, Eu)","Inorganic Chemistry","2012","51","","620","628","10.1021/ic2021484","","","0.71073","MoKα","","0.0148","0.0142","","","0.0345","0.0349","","","","","","1.08","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327896","7.7638","0.0005","3.9014","0.0003","10.5243","0.0007","90","","90","","90","","318.78","0.04","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge2 Li Sm -","- Ge2 Li Sm -","- Ge8 Li4 Sm4 -","4","0.5","","Svilen Bobev; Tae-Soo You; Nian-Tzu Suen; Shanta Saha; Richard Greene; Johnpierre Paglione","Synthesis, Structure, Chemical Bonding, and Magnetism of the Series ReLiGe2 (RE= La-Nd, Sm, Eu)","Inorganic Chemistry","2012","51","","620","628","10.1021/ic2021484","","","0.71073","MoKα","","0.0153","0.0144","","","0.0327","0.0331","","","","","","1.071","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327897","8.0735","0.0007","3.973","0.0003","11.0099","0.0009","90","","90","","90","","353.15","0.05","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu Ge2 Li -","- Eu Ge2 Li -","- Eu4 Ge8 Li4 -","4","0.5","","Svilen Bobev; Tae-Soo You; Nian-Tzu Suen; Shanta Saha; Richard Greene; Johnpierre Paglione","Synthesis, Structure, Chemical Bonding, and Magnetism of the Series ReLiGe2 (RE= La-Nd, Sm, Eu)","Inorganic Chemistry","2012","51","","620","628","10.1021/ic2021484","","","0.71073","MoKα","","0.0141","0.0129","","","0.0291","0.0295","","","","","","1.145","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327912","7.4545","0.0007","15.4787","0.0015","11.1325","0.001","90","","90","","90","","1284.5","0.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","iodido-[bis(2-pyrimidyl)trisulfide-k3N,N',S]-copper(I)","","- C8 H6 Cu I N4 S3 -","- C8 H6 Cu I N4 S3 -","- C32 H24 Cu4 I4 N16 S12 -","4","0.5","","Almudena Gallego; Oscar Castillo; Carlos J. Gómez-García; Félix Zamora; Salomé Delgado","Electrical Conductivity and Luminescence in Coordination Polymers Based on Copper(I)-Halides and Sulfur-Pyrimidine Ligands","Inorganic Chemistry","2012","51","","718","727","10.1021/ic202255w","","","1.54178","CuKα","","0.0246","0.0244","","","0.0621","0.0622","","","","","","1.113","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327973","40.264","0.007","12.8688","0.0018","9.7766","0.0016","90","","90","","90","","5065.7","1.4","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C46 H81 F N8 O4 S -","- C46 H81 F N8 O4 S -","- C184 H324 F4 N32 O16 S4 -","4","0.5","","Arghya Basu; Gopal Das","Neutral Acyclic Anion Receptor with Thiadiazole Spacer: Halide Binding Study and Halide-Directed Self-Assembly in the Solid State","Inorganic Chemistry","2012","51","","882","889","10.1021/ic201656y","","","0.71073","MoKα","","0.2491","0.0667","","","0.0706","0.0804","","","","","","1.099","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4328002","7.8905","0.0003","19.001","0.0007","21.1957","0.0009","90","","90","","90","","3177.8","0.2","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C28 H30 Cs3 O5 -","- C28 H30 Cs3 O5 -","- C112 H120 Cs12 O20 -","4","0.5","","Jeffrey A. Bertke; Allen G. Oliver; Kenneth W. Henderson","Effects of the Alkali-Metal Cation Size on Molecular and Extended Structures: Formation of Coordination Polymers and Hybrid Materials in the Homologous Series [(4-Et-C6H4OM).(diox)n], M = Li, Na, K, Rb, Cs","Inorganic Chemistry","2012","51","","1020","1027","10.1021/ic202158m","","","1.54178","CuKα","","0.0601","0.0439","","","0.1079","0.1168","","","","","","1.024","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328004","7.4579","0.0003","19.2403","0.0006","21.0434","0.0006","90","","90","","90","","3019.56","0.18","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9.66667 H10 O1.66667 Rb -","- C9.66667 H10 O1.66667 Rb -","- C116 H120 O20 Rb12 -","12","1.5","","Jeffrey A. Bertke; Allen G. Oliver; Kenneth W. Henderson","Effects of the Alkali-Metal Cation Size on Molecular and Extended Structures: Formation of Coordination Polymers and Hybrid Materials in the Homologous Series [(4-Et-C6H4OM).(diox)n], M = Li, Na, K, Rb, Cs","Inorganic Chemistry","2012","51","","1020","1027","10.1021/ic202158m","","","1.54178","CuKα","","0.0642","0.0591","","","0.2025","0.2065","","","","","","1.656","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4328104","8.5198","0.0005","13.4737","0.0008","21.4888","0.0014","90","","90","","90","","2466.8","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H41 Cr N3 O -","- C22 H40.5 Cr N3 O -","- C88 H162 Cr4 N12 O4 -","4","0.5","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0493","0.0377","","","0.0981","0.1054","","","","","","1.051","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328160","21.206","0.0004","18.5239","0.0007","8.9409","0.0003","90","","90","","90","","3512.14","0.19","173","2","173","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","","","- C34 H53 Ge I N2 O -","- C34 H53 Ge I N2 O -","- C136 H212 Ge4 I4 N8 O4 -","4","0.5","","Lorenzo Ferro; Peter B. Hitchcock; Martyn P. Coles; J. Robin Fulton","Reactivity of Divalent Germanium Alkoxide Complexes Is in Sharp Contrast to the Heavier Tin and Lead Analogues","Inorganic Chemistry","2012","51","","1544","1551","10.1021/ic201841m","","x-ray","0.7107","MoKα","","0.0572","0.0394","","","0.0857","0.0947","","","","","","1.016","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328355","6.462812","0.000015","3.864979","0.000008","16.17629","0.00004","90","","90","","90","","404.062","0.0016","295","","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F4 La Rb -","- F4 La Rb -","- F16 La4 Rb4 -","4","0.5","","Anne-Laure Rollet; Mathieu Allix; Emmanuel Veron; Michael Deschamps; Valérie Montouillout; Matthew R. Suchomel; Emmanuelle Suard; Maud Barre; Manuel Ocaña; Aymeric Sadoc; Florent Boucher; Catherine Bessada; Dominique Massiot; Franck Fayon","Synthesis and Structure Resolution of RbLaF4","Inorganic Chemistry","2012","51","","2272","2282","10.1021/ic202301e","powder diffraction","x-ray","0.41221","","","","","","","","","0.02808","","0.4","","","","","","","has coordinates,has Fobs","179386","2020-10-21","18:00:00",""
"4328535","10.3609","0.0002","13.2089","0.0003","11.9129","0.0003","90","","90","","90","","1630.35","0.06","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Tb -","- C18 H23 Tb -","- C72 H92 Tb4 -","4","0.5","","Shang-Da Jiang; Shan-Shan Liu; Li-Nan Zhou; Bing-Wu Wang; Zhe-Ming Wang; Song Gao","Series of Lanthanide Organometallic Single-Ion Magnets","Inorganic Chemistry","2012","51","","3079","3087","10.1021/ic202511n","","","0.71073","MoKα","","0.0475","0.0242","","","0.0544","0.0598","","","","","","1.011","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328536","10.3073","0.0002","13.2464","0.0003","11.8674","0.0002","90","","90","","90","","1620.31","0.06","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Dy -","- C18 H23 Dy -","- C72 H92 Dy4 -","4","0.5","","Shang-Da Jiang; Shan-Shan Liu; Li-Nan Zhou; Bing-Wu Wang; Zhe-Ming Wang; Song Gao","Series of Lanthanide Organometallic Single-Ion Magnets","Inorganic Chemistry","2012","51","","3079","3087","10.1021/ic202511n","","","0.71073","MoKα","","0.0494","0.0282","","","0.0674","0.0753","","","","","","0.871","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328537","10.2842","0.0002","13.2709","0.0003","11.8482","0.0003","90","","90","","90","","1617.05","0.06","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Ho -","- C18 H23 Ho -","- C72 H92 Ho4 -","4","0.5","","Shang-Da Jiang; Shan-Shan Liu; Li-Nan Zhou; Bing-Wu Wang; Zhe-Ming Wang; Song Gao","Series of Lanthanide Organometallic Single-Ion Magnets","Inorganic Chemistry","2012","51","","3079","3087","10.1021/ic202511n","","","0.71073","MoKα","","0.0696","0.0388","","","0.0755","0.0823","","","","","","1.058","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328538","10.2662","0.0008","13.3052","0.0013","11.8298","0.0011","90","","90","","90","","1615.9","0.3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Er -","- C18 H22 Er -","- C72 H88 Er4 -","4","0.5","","Shang-Da Jiang; Shan-Shan Liu; Li-Nan Zhou; Bing-Wu Wang; Zhe-Ming Wang; Song Gao","Series of Lanthanide Organometallic Single-Ion Magnets","Inorganic Chemistry","2012","51","","3079","3087","10.1021/ic202511n","","","0.71073","MoKα","","0.0874","0.0321","","","0.0523","0.0616","","","","","","0.857","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328539","10.242","0.0003","13.3152","0.0004","11.8191","0.0003","90","","90","","90","","1611.82","0.08","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Tm -","- C18 H23 Tm -","- C72 H92 Tm4 -","4","0.5","","Shang-Da Jiang; Shan-Shan Liu; Li-Nan Zhou; Bing-Wu Wang; Zhe-Ming Wang; Song Gao","Series of Lanthanide Organometallic Single-Ion Magnets","Inorganic Chemistry","2012","51","","3079","3087","10.1021/ic202511n","","","0.71073","MoKα","","0.0649","0.0381","","","0.0771","0.0812","","","","","","1.294","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328540","10.2873","0.0003","13.277","0.0003","11.8969","0.0004","90","","90","","90","","1624.93","0.08","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Y -","- C18 H22 Y -","- C72 H88 Y4 -","4","0.5","","Shang-Da Jiang; Shan-Shan Liu; Li-Nan Zhou; Bing-Wu Wang; Zhe-Ming Wang; Song Gao","Series of Lanthanide Organometallic Single-Ion Magnets","Inorganic Chemistry","2012","51","","3079","3087","10.1021/ic202511n","","","0.71073","MoKα","","0.0614","0.0345","","","0.0734","0.0823","","","","","","1.015","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328644","20.11","0.002","3.8869","0.0005","10.7053","0.0013","90","","90","","90","","836.79","0.17","273","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au0.85 Sc6 Te2 -","- Au0.856 Sc6 Te2 -","- Au3.424 Sc24 Te8 -","4","0.5","","Ping Chai; John D. Corbett","Gold Derivatives of Eight Rare-Earth-Metal-Rich Tellurides: Monoclinic R7Au2Te2 and Orthorhombic R6AuTe2 Types R7Au2Te2and Orthorhombic R6AuTe2Types","Inorganic Chemistry","2012","51","","3548","3556","10.1021/ic202342v","","","0.71073","MoKα","","0.0427","0.0328","","","0.064","0.0681","","","","","","1.125","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328645","20.191","0.004","3.9199","0.0007","10.7452","0.0013","90","","90","","90","","850.4","0.2","273","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au0.89 Sc6 Te2 -","- Au0.892 Sc6 Te2 -","- Au3.568 Sc24 Te8 -","4","0.5","","Ping Chai; John D. Corbett","Gold Derivatives of Eight Rare-Earth-Metal-Rich Tellurides: Monoclinic R7Au2Te2 and Orthorhombic R6AuTe2 Types","Inorganic Chemistry","2012","51","","3548","3556","10.1021/ic202342v","","","0.71073","MoKα","","0.0505","0.0345","","","0.0649","0.0709","","","","","","1.027","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328869","29.578","0.006","16.627","0.003","12.535","0.003","90","","90","","90","","6165","2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H102 Li3.52 Mn4.49 N11.49 -","- C45 H101.83 Li3.515 Mn4.485 N11.485 -","- C180 H407.32 Li14.06 Mn17.94 N45.94 -","4","0.5","","Shivaiah Vaddypally; Sandeep K. Kondaveeti; Michael J. Zdilla","Synthesis of a High-Valent, Four-Coordinate Manganese Cubane Cluster with a Pendant Mn Atom: Photosystem II-Inspired Manganese-Nitrogen Clusters","Inorganic Chemistry","2012","51","","3950","3952","10.1021/ic300502s","","","0.71073","MoKα","","0.0785","0.0594","","","0.1459","0.1583","","","","","","1.044","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328870","29.578","0.006","16.627","0.003","12.535","0.003","90","","90","","90","","6165","2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H102 Li3.92 Mn4.08 N11.08 -","- C45 H102.1 Li3.917 Mn4.083 N11.083 -","- C180 H408.4 Li15.668 Mn16.332 N44.332 -","4","0.5","","Shivaiah Vaddypally; Sandeep K. Kondaveeti; Michael J. Zdilla","Synthesis of a High-Valent, Four-Coordinate Manganese Cubane Cluster with a Pendant Mn Atom: Photosystem II-Inspired Manganese-Nitrogen Clusters","Inorganic Chemistry","2012","51","","3950","3952","10.1021/ic300502s","","","0.71073","MoKα","","0.091","0.0639","","","0.1606","0.1784","","","","","","1.064","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328871","29.578","0.006","16.627","0.003","12.535","0.003","90","","90","","90","","6165","2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H102 Li4 Mn4 N11 -","- C45 H101.5 Li4 Mn4 N10.5 -","- C180 H406 Li16 Mn16 N42 -","4","0.5","","Shivaiah Vaddypally; Sandeep K. Kondaveeti; Michael J. Zdilla","Synthesis of a High-Valent, Four-Coordinate Manganese Cubane Cluster with a Pendant Mn Atom: Photosystem II-Inspired Manganese-Nitrogen Clusters","Inorganic Chemistry","2012","51","","3950","3952","10.1021/ic300502s","","","0.71073","MoKα","","0.063","0.0545","","","0.1316","0.1389","","","","","","1.084","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328930","16.3875","0.0011","14.982","0.0007","12.5381","0.0006","90","","90","","90","","3078.3","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H44 Cl Mo N3 O3 -","- C31 H44 Cl Mo N3 O3 -","- C124 H176 Cl4 Mo4 N12 O12 -","4","0.5","","Benjamin Oelkers; Alexander Venker; Jörg Sundermeyer","Molybdenum 1,4-Diazabuta-1,3-diene Tricarbonyl Solvento Complexes Revisited: From Solvatochromism to Attractive Ligand-Ligand Interaction","Inorganic Chemistry","2012","51","","4636","4643","10.1021/ic202517w","","","0.71073","MoKα","","0.1076","0.0527","","","0.1146","0.1295","","","","","","0.814","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328931","16.322","0.006","15.164","0.007","12.656","0.007","90","","90","","90","","3132","3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H44 Br Mo N3 O3 -","- C31 H44 Br Mo N3 O3 -","- C124 H176 Br4 Mo4 N12 O12 -","4","0.5","","Benjamin Oelkers; Alexander Venker; Jörg Sundermeyer","Molybdenum 1,4-Diazabuta-1,3-diene Tricarbonyl Solvento Complexes Revisited: From Solvatochromism to Attractive Ligand-Ligand Interaction","Inorganic Chemistry","2012","51","","4636","4643","10.1021/ic202517w","","","0.71073","MoKα","","0.1368","0.0696","","","0.1217","0.1417","","","","","","1.027","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328937","12.29","0.0003","21.4033","0.0006","10.5018","0.0003","90","","90","","90","","2762.46","0.13","172","2","172","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H39 Al Cl2 N2 -","- C27 H39 Al Cl2 N2 -","- C108 H156 Al4 Cl8 N8 -","4","0.5","","Ana M. Felix; Diane A. Dickie; Ian S. Horne; Giang Page; Richard A. Kemp","Addition of Aluminum and Gallium Species to Aromatic and Alkyl-Substituted 1,4-Diaza-1,3-butadiene Ligands","Inorganic Chemistry","2012","51","","4650","4662","10.1021/ic202583w","","","0.71073","MoKα","","0.0574","0.0416","","","0.1071","0.1176","","","","","","1.029","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328938","12.4112","0.0004","21.4045","0.0007","10.5492","0.0004","90","","90","","90","","2802.45","0.17","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H42 Al Cl N2 -","- C28 H42 Al Cl N2 -","- C112 H168 Al4 Cl4 N8 -","4","0.5","","Ana M. Felix; Diane A. Dickie; Ian S. Horne; Giang Page; Richard A. Kemp","Addition of Aluminum and Gallium Species to Aromatic and Alkyl-Substituted 1,4-Diaza-1,3-butadiene Ligands","Inorganic Chemistry","2012","51","","4650","4662","10.1021/ic202583w","","","0.71073","MoKα","","0.0621","0.0506","","","0.1243","0.1295","","","","","","1.195","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4328947","12.4887","0.0003","21.4298","0.0005","10.5557","0.0003","90","","90","","90","","2825.03","0.12","223","2","223","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C29 H45 Ga N2 -","- C28.9996 H44.9996 Ga N2 -","- C115.998 H179.998 Ga4 N8 -","4","0.5","","Ana M. Felix; Diane A. Dickie; Ian S. Horne; Giang Page; Richard A. Kemp","Addition of Aluminum and Gallium Species to Aromatic and Alkyl-Substituted 1,4-Diaza-1,3-butadiene Ligands","Inorganic Chemistry","2012","51","","4650","4662","10.1021/ic202583w","","","0.71073","MoKα","","0.0562","0.0359","","","0.0854","0.093","","","","","","1.045","","","","has coordinates,has disorder","179392","2020-10-21","18:00:00",""
"4329001","18.866","0.0016","12.857","0.0011","18.6284","0.0015","90","","90","","90","","4518.5","0.7","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Mn Na6 O39 Pd12 Se8 -","- Mn Na6 O39 Pd12 Se8 -","- Mn4 Na24 O156 Pd48 Se32 -","4","0.5","","Zheng-Guo Lin; Bo Wang; Jie Cao; Bao-Kuan Chen; Yuan-Zhe Gao; Ying-Nan Chi; Chong Xu; Xian-Qiang Huang; Ruo-Dan Han; Shuang-Yue Su; Chang-Wen Hu","Cation-Induced Synthesis of New Polyoxopalladates","Inorganic Chemistry","2012","51","","4435","4437","10.1021/ic300428g","","","0.71073","MoKα","","0.0357","0.0278","","","0.0734","0.0778","","","","","","1.07","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329004","18.8869","0.0009","12.9571","0.0006","18.9155","0.0009","90","","90","","90","","4629","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Co Na6 O40 Pd12 Se8 -","- Co Na6 O40 Pd12 Se8 -","- Co4 Na24 O160 Pd48 Se32 -","4","0.5","","Zheng-Guo Lin; Bo Wang; Jie Cao; Bao-Kuan Chen; Yuan-Zhe Gao; Ying-Nan Chi; Chong Xu; Xian-Qiang Huang; Ruo-Dan Han; Shuang-Yue Su; Chang-Wen Hu","Cation-Induced Synthesis of New Polyoxopalladates","Inorganic Chemistry","2012","51","","4435","4437","10.1021/ic300428g","","","0.71073","MoKα","","0.0654","0.0618","","","0.1397","0.1413","","","","","","1.215","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329005","18.662","0.005","12.713","0.004","18.492","0.005","90","","90","","90","","4387","2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Na6 O39 Pd12 Se8 Zn -","- Na6 O39 Pd12 Se8 Zn -","- Na24 O156 Pd48 Se32 Zn4 -","4","0.5","","Zheng-Guo Lin; Bo Wang; Jie Cao; Bao-Kuan Chen; Yuan-Zhe Gao; Ying-Nan Chi; Chong Xu; Xian-Qiang Huang; Ruo-Dan Han; Shuang-Yue Su; Chang-Wen Hu","Cation-Induced Synthesis of New Polyoxopalladates","Inorganic Chemistry","2012","51","","4435","4437","10.1021/ic300428g","","","0.71073","MoKα","","0.1012","0.0782","","","0.1703","0.1777","","","","","","1.123","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329006","18.913","0.005","12.975","0.003","18.852","0.005","90","","90","","90","","4626","2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Na6 Ni O41 Pd12 Se8 -","- Na6 Ni O41 Pd12 Se8 -","- Na24 Ni4 O164 Pd48 Se32 -","4","0.5","","Zheng-Guo Lin; Bo Wang; Jie Cao; Bao-Kuan Chen; Yuan-Zhe Gao; Ying-Nan Chi; Chong Xu; Xian-Qiang Huang; Ruo-Dan Han; Shuang-Yue Su; Chang-Wen Hu","Cation-Induced Synthesis of New Polyoxopalladates","Inorganic Chemistry","2012","51","","4435","4437","10.1021/ic300428g","","","0.71073","MoKα","","0.0527","0.042","","","0.1045","0.1097","","","","","","1.223","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329007","18.9367","0.0005","12.992","0.0003","18.8033","0.0005","90","","90","","90","","4626.1","0.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cu Na6 O41 Pd12 Se8 -","- Cu Na6 O41 Pd12 Se8 -","- Cu4 Na24 O164 Pd48 Se32 -","4","0.5","","Zheng-Guo Lin; Bo Wang; Jie Cao; Bao-Kuan Chen; Yuan-Zhe Gao; Ying-Nan Chi; Chong Xu; Xian-Qiang Huang; Ruo-Dan Han; Shuang-Yue Su; Chang-Wen Hu","Cation-Induced Synthesis of New Polyoxopalladates","Inorganic Chemistry","2012","51","","4435","4437","10.1021/ic300428g","","","0.71073","MoKα","","0.0411","0.0316","","","0.0719","0.0776","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329008","13.7053","0.0007","13.7236","0.0007","6.1051","0.0003","90","","90","","90","","1148.28","0.1","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","EuGeO-JU-87","","","- Eu0.5 Ge1.5 H K1.5 O5 -","- Eu0.5 Ge1.5 H K1.5 O5 -","- Eu4 Ge12 H8 K12 O40 -","8","1","","Xi Wang; Yu Wang; Qiong Liu; Yi Li; Jihong Yu; Ruren Xu","K3[TbxEu1-xGe3O8(OH)2] (x= 1, 0.88, 0.67, 0): 2D-Layered Lanthanide Germanates with Tunable Photoluminescent Properties","Inorganic Chemistry","2012","51","","4779","4783","10.1021/ic3005129","","","0.71073","MoKα","","0.0325","0.025","","","0.0551","0.0583","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329016","11.5544","0.0008","18.0697","0.0008","12.2968","0.0006","90","","90","","90","","2567.4","0.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","tris(choline) copper tetracholride chloride","tris(choline) copper tetracholride chloride","","- C15 H42 Cl5 Cu N3 O3 -","- C10 H28 Cl5 Cu N2 O2 -","- C40 H112 Cl20 Cu4 N8 O8 -","4","0.5","","Peter De Vreese; Neil R. Brooks; Kristof Van Hecke; Luc Van Meervelt; Edward Matthijs; Koen Binnemans; Rik Van Deun","Speciation of Copper(II) Complexes in an Ionic Liquid Based on Choline Chloride and in Choline Chloride/Water Mixtures","Inorganic Chemistry","2012","51","","4972","4981","10.1021/ic202341m","","","1.54178","CuKα","","0.0634","0.0569","","","0.1315","0.1351","","","","","","1.094","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329101","16.853","0.009","24.998","0.013","9.728","0.005","90","","90","","90","","4098","4","213","2","213","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C26 H40 Cl6 F6 N12 P Re2 -","- C26 H40 Cl6 F6 N12 P Re2 -","- C104 H160 Cl24 F24 N48 P4 Re8 -","4","0.5","","Gina M. Chiarella; F. Albert Cotton; Naresh S. Dalal; Carlos A. Murillo; Zhenxing Wang; Mark D. Young","Direct Evidence from Electron Paramagnetic Resonance for Additional Configurations in Uncommon Paddlewheel Re27+ Units Surrounded by an Unsymmetrical Bicyclic Guanidinate","Inorganic Chemistry","2012","51","","5257","5263","10.1021/ic300169f","","","0.71073","MoKα","","0.0732","0.0505","","","0.1258","0.1378","","","","","","1.15","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329126","13.2257","0.0003","12.6283","0.0003","8.78833","0.00018","90","","90","","90","","1467.81","0.06","298.3","","298.3","","","","","","","","","3","P n m a","-P 2ac 2n","62","p-LH2","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","0.5","","Marzio Rancan; Alessandro Dolmella; Roberta Seraglia; Simonetta Orlandi; Silvio Quici; Lorenzo Sorace; Dante Gatteschi; Lidia Armelao","Dinuclear Cu(II) Complexes of Isomeric Bis-(3-acetylacetonate)benzene Ligands: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2012","51","","5409","5416","10.1021/ic3003806","","","1.5418","CuKα","","0.0517","0.0459","","","0.1332","0.1406","","","","","","1.067","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329172","19.018","0.005","29.527","0.005","23.963","0.005","90","0.005","90","0.005","90","0.005","13456","5","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C84 H44 Cd4 Co2 N12 O65 -","- C84 H44 Cd4 Co2 N12 O65 -","- C336 H176 Cd16 Co8 N48 O260 -","4","0.5","","Girijesh Kumar; Rajeev Gupta","Cobalt Complexes Appended withp- andm-Carboxylates: Two Unique {Co3±Cd2+} Networks and Their Regioselective and Size-Selective Heterogeneous Catalysis","Inorganic Chemistry","2012","51","","5497","5499","10.1021/ic202594s","","","0.71073","MoKα","","0.0918","0.0791","","","0.2109","0.227","","","","","","1.064","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329290","14.9089","0.0005","13.8674","0.0005","21.3702","0.0008","90","","90","","90","","4418.2","0.3","180","2","180","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C37 H41 Mo5 O19 P W -","- C37 H41 Mo5 O19 P W -","- C148 H164 Mo20 O76 P4 W4 -","4","0.5","","Gülnur Taban-Çalişkan; Daniel Mesquita Fernandes; Jean-Claude Daran; Dominique Agustin; Funda Demirhan; Rinaldo Poli","Rational Synthesis and Characterization of the Mixed-Metal Organometallic Polyoxometalates [Cp*Mo~x~W~6-x~O~18~]^-^ (x = 0, 1, 5, 6)","Inorganic Chemistry","2012","51","","5931","5940","10.1021/ic300578g","","","0.71073","MoKα","","0.0543","0.0332","","","0.0733","0.0809","","","","","","0.976","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329292","14.8994","0.0007","13.8507","0.0007","21.2967","0.0008","90","","90","","90","","4394.9","0.3","180","2","180","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C37 H41 Mo6 O19 P -","- C37 H41 Mo6 O19 P -","- C148 H164 Mo24 O76 P4 -","4","0.5","","Gülnur Taban-Çalişkan; Daniel Mesquita Fernandes; Jean-Claude Daran; Dominique Agustin; Funda Demirhan; Rinaldo Poli","Rational Synthesis and Characterization of the Mixed-Metal Organometallic Polyoxometalates [Cp*Mo~x~W~6-x~O~18~]^-^ (x = 0, 1, 5, 6)","Inorganic Chemistry","2012","51","","5931","5940","10.1021/ic300578g","","","0.71073","MoKα","","0.0355","0.0271","","","0.0621","0.0674","","","","","","1.138","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329402","10.1886","0.0008","24.5226","0.0017","14.6894","0.001","90","","90","","90","","3670.2","0.5","193","2","193","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H64 B4 Ba N2 O8 -","- C24 H64 B4 Ba N2 O8 -","- C96 H256 B16 Ba4 N8 O32 -","4","0.5","","Scott R. Daly; Brian J. Bellott; Mark A. Nesbit; Gregory S. Girolami","Synthesis and Structural Diversity of Barium (N,N-Dimethylamino)diboranates","Inorganic Chemistry","2012","51","","6449","6459","10.1021/ic2016879","","","0.71073","MoKα","","0.0945","0.0455","","","0.1225","0.1448","","","","","","1.047","","","","has coordinates,has disorder","179397","2020-10-21","18:00:00",""
"4329426","12.1224","0.0002","14.8449","0.001","10.3283","0.0001","90","","90","","90","","1858.64","0.13","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H12 B Cl N6 -","- C24 H12 B Cl N6 -","- C96 H48 B4 Cl4 N24 -","4","0.5","","Pavlo V. Solntsev; Katelynn L. Spurgin; Jared R. Sabin; Ahmed A. Heikal; Victor N. Nemykin","Photoinduced Charge Transfer in Short-Distance Ferrocenylsubphthalocyanine Dyads","Inorganic Chemistry","2012","51","","6537","6547","10.1021/ic3000608","","","1.54187","CuKα","","0.0852","0.0668","","","0.1872","0.2127","","","","","","1.156","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329524","9.12016","0.00008","3.05648","0.00003","10.785","0.0001","90","","90","","90","","300.638","0.005","295","","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cd O3.9433 Rh2 -","- Cd O3.9431 Rh2 -","- Cd4 O15.7724 Rh8 -","4","0.5","","Xia Wang; Yanfeng Guo; Youguo Shi; Alexei A. Belik; Yoshihiro Tsujimoto; Wei Yi; Ying Sun; Yuichi Shirako; Masao Arai; Masaki Akaogi; Yoshitaka Matsushita; Kazunari Yamaura","High-Pressure Synthesis, Crystal Structure, and Electromagnetic Properties of CdRh2O4: an Analogous Oxide of the Postspinel Mineral MgAl2O4","Inorganic Chemistry","2012","51","","6868","6875","10.1021/ic300628m","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.21","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329527","7.85774","0.00009","7.85579","0.00009","23.55044","0.00014","90","","90","","90","","1453.74","0.03","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Na Nb O3 -","- Na Nb O3 -","- Na24 Nb24 O72 -","24","3","","Martin D. Peel; Stephen P. Thompson; Aziz Daoud-Aladine; Sharon E. Ashbrook; Philip Lightfoot","New Twists on the Perovskite Theme: Crystal Structures of the Elusive Phases R and S of NaNbO3","Inorganic Chemistry","2012","51","","6876","6889","10.1021/ic3006585","powder diffraction","","","","","","","","","","","","","1.41","","","","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329713","13.384","0.003","5.577","0.0011","7.017","0.0014","90","","90","","90","","523.77","0.19","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au3 Ga2 Rb -","- Au3 Ga2 Rb -","- Au12 Ga8 Rb4 -","4","0.5","","Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Three Alkali-Metal-Gold-Gallium Systems. Ternary Tunnel Structures and Some Problems with Poorly Ordered Cations","Inorganic Chemistry","2012","51","","7711","7721","10.1021/ic300740u","","","0.71073","MoKα","","0.0513","0.0384","","","0.0734","0.0785","","","","","","1.149","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329714","13.511","0.003","5.614","0.0011","7.146","0.0014","90","","90","","90","","542.03","0.19","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au3 Cs Ga2 -","- Au3 Cs Ga2 -","- Au12 Cs4 Ga8 -","4","0.5","","Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Three Alkali-Metal-Gold-Gallium Systems. Ternary Tunnel Structures and Some Problems with Poorly Ordered Cations","Inorganic Chemistry","2012","51","","7711","7721","10.1021/ic300740u","","","0.71073","MoKα","","0.0714","0.0492","","","0.0876","0.0934","","","","","","1.128","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329845","15.2152","0.0012","10.0383","0.0008","6.4408","0.0005","90","","90","","90","","983.73","0.13","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","trimethylstibane galliumtrichloride addukt","","- C3 H9 Cl3 Ga Sb -","- C3 H9 Cl3 Ga Sb -","- C12 H36 Cl12 Ga4 Sb4 -","4","0.5","","Christian Hering; Mathias Lehmann; Axel Schulz; Alexander Villinger","Chlorine/Methyl Exchange Reactions in Silylated Aminostibanes: A New Route To Stibinostibonium Cations","Inorganic Chemistry","2012","51","","8212","8224","10.1021/ic300770b","","","0.71073","MoKα","","0.0455","0.0285","","","0.0522","0.0555","","","","","","1.032","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329957","25.6917","0.0012","13.3508","0.0006","24.2803","0.0011","90","","90","","90","","8328.3","0.7","101","2","101","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C42 H118 Li2 N8 O0 Si8 Sn9 -","- C42 H118 Li2 N8 Si8 Sn9 -","- C168 H472 Li8 N32 Si32 Sn36 -","4","0.5","","Claudio Schrenk; Florian Winter; Rainer Pöttgen; Andreas Schnepf","{Sn9[Si(SiMe3)3]2}2-: A Metalloid Tin Cluster Compound With a Sn9 Core of Oxidation State Zero","Inorganic Chemistry","2012","51","","8583","8588","10.1021/ic3011647","","","0.71073","MoKα","","0.1094","0.0587","","","0.1083","0.1307","","","","","","1.188","","","","has coordinates,has disorder","179402","2020-10-21","18:00:00",""
"4329965","12.8301","0.0012","5.4382","0.0005","8.1707","0.0009","90","","90","","90","","570.09","0.1","200","0.2","200","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- In Na O6 Se2 -","- In Na O6 Se2 -","- In4 Na4 O24 Se8 -","4","0.5","","Dong Woo Lee; Saet Byeol Kim; Kang Min Ok","Cation Size Effect on the Framework Structures in a Series of New Alkali-Metal Indium Selenites, AIn(SeO3)2 (A = Na, K, Rb, and Cs)","Inorganic Chemistry","2012","51","","8530","8537","10.1021/ic301316r","","","0.71073","MoKα","","0.0476","0.0432","","","0.1218","0.1239","","","","","","1.19","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329966","13.1567","0.0004","5.5511","0.0002","8.3381","0.0003","90","","90","","90","","608.97","0.04","200","0.2","200","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- In K O6 Se2 -","- In K O6 Se2 -","- In4 K4 O24 Se8 -","4","0.5","","Dong Woo Lee; Saet Byeol Kim; Kang Min Ok","Cation Size Effect on the Framework Structures in a Series of New Alkali-Metal Indium Selenites, AIn(SeO3)2 (A = Na, K, Rb, and Cs)","Inorganic Chemistry","2012","51","","8530","8537","10.1021/ic301316r","","","0.71073","MoKα","","0.0509","0.0318","","","0.057","0.0615","","","","","","0.975","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329967","15.842","0.0011","5.5594","0.0004","7.6158","0.0005","90","","90","","90","","670.74","0.08","200","0.2","200","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- In O6 Rb Se2 -","- In O6 Rb Se2 -","- In4 O24 Rb4 Se8 -","4","0.5","","Dong Woo Lee; Saet Byeol Kim; Kang Min Ok","Cation Size Effect on the Framework Structures in a Series of New Alkali-Metal Indium Selenites, AIn(SeO3)2 (A = Na, K, Rb, and Cs)","Inorganic Chemistry","2012","51","","8530","8537","10.1021/ic301316r","","","0.71073","MoKα","","0.0226","0.0191","","","0.0442","0.0454","","","","","","1.026","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4330064","11.75","0.002","19.208","0.003","13.722","0.004","90","","90","","90","","3097","1.2","200","2","200","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","","","","- C31 H46 O3 Ti3 -","- C31 H46 O3 Ti3 -","- C124 H184 O12 Ti12 -","4","0.5","","María Gómez-Pantoja; Pilar Gómez-Sal; Alberto Hernán-Gómez; Avelino Martín; Miguel Mena; Cristina Santamaría","Co-complexation of Lithium Gallates on the Titanium Molecular Oxide {[Ti(η5-C5Me5)(μ-O)}3(μ3-CH)]","Inorganic Chemistry","2012","51","","8964","8972","10.1021/ic301057u","","x-ray","0.71073","MoKα","","0.0956","0.049","","","0.1217","0.1393","","","","","","0.993","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330089","24.399","0.0017","22.2855","0.0013","11.2692","0.0009","90","","90","","90","","6127.6","0.7","92","2","92","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C51.4 H70 B4 Fe2 N14 O1.6 -","- C51.4 H70 B4 Fe2 N14 O1.6 -","- C205.6 H280 B16 Fe8 N56 O6.4 -","4","0.5","","Worku A. Gobeze; Victoria A. Milway; Juan Olguín; Guy N. L. Jameson; Sally Brooker","Nine Diiron(II) Complexes of Three Bis-tetradentate Pyrimidine Based Ligands with NCE (E = S, Se, BH3) Coligands","Inorganic Chemistry","2012","51","","9056","9065","10.1021/ic3012052","","","0.71073","MoKα","","0.1061","0.0765","","","0.2107","0.2288","","","","","","1.07","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330098","12.6253","0.001","8.507","0.0007","10.849","0.0009","90","","90","","90","","1165.22","0.16","223","2","223","2","","","","","","","","4","P n m a","-P 2ac 2n","62","05247","","","- Co F12 K P4 -","- Co F12 K P4 -","- Co4 F48 K4 P16 -","4","0.5","","William W. Brennessel; John E. Ellis","Naphthalene and Anthracene Cobaltates(1-): Useful Storable Sources of an Atomic Cobalt Anion","Inorganic Chemistry","2012","51","","9076","9094","10.1021/ic301240u","","","0.71073","MoKα","","0.0268","0.0242","","","0.0543","0.0555","","","","","","1.088","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330229","23.9643","0.0002","27.8303","0.0003","10.2198","0.0001","90","","90","","90","","6815.93","0.11","173","2","173","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","","","","- C36 H49 Cl N2 Sn -","- C36 H49 Cl N2 Sn -","- C288 H392 Cl8 N16 Sn8 -","8","1","","Eric C. Y. Tam; Nicola A. Maynard; David C. Apperley; J. David Smith; Martyn P. Coles; J. Robin Fulton","Group 14 Metal Terminal Phosphides: Correlating Structure with |JMP|","Inorganic Chemistry","2012","51","","9403","9415","10.1021/ic301208d","","x-ray","0.71073","MoKα","","0.0437","0.031","","","0.0612","0.0649","","","","","","1.063","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330263","14.624","0.003","11.093","0.002","5.6416","0.0011","90","","90","","90","","915.2","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H10 O13 S2 U -","- O13 S2 U -","- O52 S8 U4 -","4","0.5","","David D. Schnaars; Richard E. Wilson","Uranium(IV) Sulfates: Investigating Structural Periodicity in the Tetravalent Actinides","Inorganic Chemistry","2012","51","","9481","9490","10.1021/ic301291w","","","0.71073","MoKα","","0.0485","0.0324","","","0.0876","0.0949","","","","","","1.108","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330324","19.2265","0.0014","15.8767","0.0012","15.0485","0.0011","90","","90","","90","","4593.6","0.6","223","","223","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C42.21 H40.42 B Cl2.42 F4 Ir N2 P2 -","- C42.21 H40.42 B Cl2.42 F4 Ir N2 P2 -","- C168.84 H161.68 B4 Cl9.68 F16 Ir4 N8 P8 -","4","0.5","","Graham E. Dobereiner; Jianguo Wu; Michael G. Manas; Nathan D. Schley; Michael K. Takase; Robert H. Crabtree; Nilay Hazari; Feliu Maseras; Ainara Nova","Mild, Reversible Reaction of Iridium(III) Amido Complexes with Carbon Dioxide","Inorganic Chemistry","2012","51","","9683","9693","10.1021/ic300923c","","","0.71075","MoKα","","","0.0589","","","","0.1174","","","","","","1.184","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330338","16.6209","0.0006","16.2951","0.0006","10.3931","0.0004","90","","90","","90","","2814.86","0.18","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C32 H27 Cl Cu N7 O -","- C32 H27 Cl Cu N7 O -","- C128 H108 Cl4 Cu4 N28 O4 -","4","0.5","","Yanmei Chen; Lei Li; Zhou Chen; Yonglu Liu; Hailiang Hu; Wenqian Chen; Wei Liu; Yahong Li; Tao Lei; Yanyuan Cao; Zhenghui Kang; Miaoshui Lin; Wu Li","Metal-Mediated Controllable Creation of Secondary, Tertiary, and Quaternary Carbon Centers: A Powerful Strategy for the Synthesis of Iron, Cobalt, and Copper Complexes with in Situ Generated Substituted 1-Pyridineimidazo[1,5-a]pyridine Ligands","Inorganic Chemistry","2012","51","","9705","9713","10.1021/ic300949y","","","0.71073","MoKα","","0.0648","0.0441","","","0.1229","0.1364","","","","","","1.062","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330496","15.8198","0.001","22.6357","0.0016","19.161","0.001","90","","90","","90","","6861.4","0.7","100","0.1","100","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C63.96 H72.94 B2 Fe3 N14.98 O10 -","- C63.964 H70.946 B2 Fe3 N14.982 O10 -","- C255.856 H283.784 B8 Fe12 N59.928 O40 -","4","0.5","","Heaweon Park; Michael M. Bittner; Jacob S. Baus; Sergey V. Lindeman; Adam T. Fiedler","Fe(II) Complexes That Mimic the Active Site Structure of Acetylacetone Dioxygenase: O2 and NO Reactivity","Inorganic Chemistry","2012","51","","10279","10289","10.1021/ic3012712","","","1.5418","CuKα","","0.1035","0.0781","","","0.2048","0.2255","","","","","","1.041","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330510","6.9242","0.0002","4.138","0.0001","7.9618","0.0002","90","","90","","90","","228.124","0.01","293","","293","","","","","","","","synthesis as described","3","P n m a","-P 2ac 2n","62","","","","- Al0.45 Mg1.55 Si -","- Al0.45 Mg1.55 Si -","- Al1.8 Mg6.2 Si4 -","4","0.5","","Shidong Ji; Masashi Tanaka; Shuai Zhang; Shoji Yamanaka","High Pressure Synthesis and Superconductivity of the Ternary Compounds Mg(Mg1-xAlx)Si with the Anticotunnite Structure","Inorganic Chemistry","2012","51","","10300","10305","10.1021/ic301296u","","x-ray","0.71069","MoKα","","0.0214","0.0162","","","0.0297","0.0329","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330586","13.271","","14.409","","19.625","","90","","90","","90","","3752.73","","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H53 B N9 Si2 Y -","- C28 H53 B N9 Si2 Y -","- C112 H212 B4 N36 Si8 Y4 -","4","0.5","","Weiyin Yi; Jie Zhang; Zhenxia Chen; Xigeng Zhou","Me-Si Bond Cleavage of Anionic Bis(trimethylsilyl)amide in Scorpionate-Anchored Rare Earth Metal Complexes","Inorganic Chemistry","2012","51","","10631","10638","10.1021/ic3008552","","","0.71073","MoKα","","0.1654","0.068","","","0.1762","0.2135","","","","","","0.892","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4331210","18.926","0.0009","27.3459","0.0012","18.0299","0.0008","90","","90","","90","","9331.3","0.7","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H57 B11 N2 P2 -","- C45 H33 B11 N2 P2 -","- C360 H264 B88 N16 P16 -","8","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)3-1,2-C2B11H11 with Nucleophiles: Scope and Mechanism","Inorganic Chemistry","2012","51","","12976","12987","10.1021/ic3020964","","","0.71073","MoKα","","0.1098","0.0751","","","0.2064","0.2542","","","","","","1.082","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331228","21.866","0.004","9.752","0.002","13.102","0.003","90","","90","","90","","2793.8","1","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C22 H25 F6 I N4 O6 S2 -","- C22 H25 F6 I N4 O6 S2 -","- C88 H100 F24 I4 N16 O24 S8 -","4","0.5","","Thomas P. Pell; Shannon A. Couchman; Sara Ibrahim; David J. D. Wilson; Brian J. Smith; Peter J. Barnard; Jason L. Dutton","Diverse Reactions of PhI(OTf)2 with Common 2-Electron Ligands: Complex Formation, Oxidation, and Oxidative Coupling","Inorganic Chemistry","2012","51","","13034","13040","10.1021/ic302176f","","","0.71073","MoKα","","0.0681","0.0584","","","0.1345","0.1387","","","","","","1.355","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331304","18.826","0.003","12.951","0.002","18.86","0.003","90","","90","","90","","4598.4","1.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- H22 Mn Na6 O44 Pd12 Se8 -","- Mn Na6 O43 Pd12 Se8 -","- Mn4 Na24 O172 Pd48 Se32 -","4","0.5","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.1007","0.0613","","","0.1278","0.1376","","","","","","1.095","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331305","19.0338","0.0009","12.9678","0.0008","18.5027","0.0008","90","","90","","90","","4567","0.4","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Fe H26 Na5 O45 Pd12 Se8 -","- Fe Na3 O36 Pd12 Se8 -","- Fe4 Na12 O144 Pd48 Se32 -","4","0.5","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.1063","0.0439","","","0.0923","0.1053","","","","","","0.827","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331306","18.866","0.006","12.886","0.004","18.703","0.007","90","","90","","90","","4547","3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Co H20 Na6 O42 Pd12 Se8 -","- Co Na4.5 O41.5 Pd12 Se8 -","- Co4 Na18 O166 Pd48 Se32 -","4","0.5","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.0948","0.0538","","","0.1508","0.2184","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331307","18.827","","12.961","0.003","18.827","0.004","90","","90","","90","","4594.1","1.4","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- H22 Na6 Ni O43 Pd12 Se8 -","- Na5 Ni O42 Pd12 Se8 -","- Na20 Ni4 O168 Pd48 Se32 -","4","0.5","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.066","0.0533","","","0.1276","0.1332","","","","","","1.149","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331309","18.9183","0.0011","12.9759","0.0007","18.9534","0.0011","90","","90","","90","","4652.7","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- H26 Na6 O45 Pd12 Se8 Zn -","- Na5 O41 Pd12 Se8 Zn -","- Na20 O164 Pd48 Se32 Zn4 -","4","0.5","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.1123","0.0759","","","0.1644","0.1807","","","","","","1.188","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331331","13.125","0.003","4.4012","0.0009","29.823","0.006","90","","90","","90","","1722.7","0.6","294","2","294","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Ba3 Sn Bi2 Se8","Ba3 Sn Bi2 Se8","","- Ba Bi Se Sn -","- Ba Bi0.711333 Se2.66667 Sn0.288667 -","- Ba12 Bi8.536 Se32 Sn3.464 -","12","1.5","","Ming-Yan Chung; Chi-Shen Lee","Multinary Selenides with Unusual Coordination Environment of Bismuth","Inorganic Chemistry","2012","51","","13328","13333","10.1021/ic302027b","","","0.71073","MoKα","","0.0434","0.0379","","","0.0868","0.0903","","","","","","1.045","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331334","12.9745","0.0007","4.2352","0.0002","29.0919","0.0015","90","","90","","90","","1598.59","0.14","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Sr3 Sn Bi2 Se8","","","- Bi2 Se8 Sn Sr3 -","- Bi2.041 Se8 Sn0.959 Sr3 -","- Bi8.164 Se32 Sn3.836 Sr12 -","4","0.5","","Ming-Yan Chung; Chi-Shen Lee","Multinary Selenides with Unusual Coordination Environment of Bismuth","Inorganic Chemistry","2012","51","","13328","13333","10.1021/ic302027b","","","0.71073","MoKα","","0.0373","0.0354","","","0.0908","0.092","","","","","","1.092","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331335","12.715","0.003","4.5509","0.0009","29.66","0.006","90","","90","","90","","1716.3","0.6","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Ba3 Sn Sb2 Se8","Ba3 Sn Sb2 Se8","","- Ba3 Sb2 Se8 Sn -","- Ba3 Sb2 Se8 Sn -","- Ba12 Sb8 Se32 Sn4 -","4","0.5","","Ming-Yan Chung; Chi-Shen Lee","Multinary Selenides with Unusual Coordination Environment of Bismuth","Inorganic Chemistry","2012","51","","13328","13333","10.1021/ic302027b","","","0.71073","MoKα","","0.056","0.0448","","","0.1014","0.1092","","","","","","1.09","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331395","7.628","","7.067","","10.253","","90","","90","","90","","552.709","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ag F (Ir F6)","","- Ag F7 Ir -","- Ag F7 Ir -","- Ag4 F28 Ir4 -","4","0.5","","Lucier, G.; Bartlett, N.; Muenzenberg, J.; Casteel, W.J.jr.","Preparation and structural and magnetic properties of (Ag F)(+) (M F6)(-) (M=Ir,Ru,Sb,Bi) and Ag(2+) ((Bi F6)(-))2","Inorganic Chemistry","1995","34","","2692","2698","10.1021/ic00114a030","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331402","20.094","","3.913","","10.688","","90","","90","","90","","840.374","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sc6 Ag Te2","","- Ag Sc6 Te2 -","- Ag Sc6 Te2 -","- Ag4 Sc24 Te8 -","4","0.5","","Chen, L.; Corbett, J.D.","Synthesis, structure and bonding of Sc6 M Te2 (M = Ag, Cu, Cd): heterometal-induced polymerization of metal chains in Sc2 Te","Inorganic Chemistry","2002","41","","2146","2150","10.1021/ic0112544","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331407","17.19849","","4.6393","","15.4055","","90","","90","","90","","1229.19","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K2 Ag (Ag2 Ce Te4)","","- Ag3 Ce K2 Te4 -","- Ag3 Ce K2 Te4 -","- Ag12 Ce4 K8 Te16 -","4","0.5","","Brazis, P.; Kannewurf, C.R.; Patschke, R.; Kanatzidis, M.","K2 Ag3 Ce Te4 : a semiconducting tunnel framework made from the covalent ""link-up"" of [Ag2 Ce Te4](3-) layers with Ag","Inorganic Chemistry","1998","37","","6562","6563","10.1021/ic981177l","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331414","9.115","","8.542","","15.726","","90","","90","","90","","1224.43","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Xe2 F11) (Au F6)","","- Au F17 Xe2 -","- Au F17 Xe2 -","- Au4 F68 Xe8 -","4","0.5","","Bartlett, N.; Zalkin, A.; Leary, K.","Crystal structure of (Xe2 F11) (Au F6) and the Raman spectrum of Xe2 F11+","Inorganic Chemistry","1974","13","","775","779","10.1021/ic50134a003","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331421","21.919","","5.193","","10.447","","90","","90","","90","","1189.13","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ba2 Au Tl7","","- Au Ba2 Tl7 -","- Au Ba2 Tl7 -","- Au4 Ba8 Tl28 -","4","0.5","","Liu Shengfeng; Corbett, J.D.","Ba2 Au Tl7 : an intermetallic compound with a novel condensed structure","Inorganic Chemistry","2004","43","","2471","2473","10.1021/ic035399h","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331423","8.6042","","5.4496","","10.8673","","90","","90","","90","","509.562","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mn (B F4)2","","- B2 F8 Mn -","- B2 F8 Mn -","- B8 F32 Mn4 -","4","0.5","","McCormick, M.J.; O'Donnell, T.A.; Hoskins, B.F.; Cockman, R.W.","Isolation and crystal structure of manganese(II) tetrafluoroborate: A unique example of manganese(II) with seven unidentate ligands.","Inorganic Chemistry","1988","27","","2742","2745","10.1021/ic00288a034","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331434","7.22","","14.092","","9.81","","90","","90","","90","","998.111","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sr5 F (B O3)3","","- B3 F O9 Sr5 -","- B3 F O9 Sr5 -","- B12 F4 O36 Sr20 -","4","0.5","","Alekel, T.; Keszler, D.A.","New strontium borate halides: Sr5 (B O3)3 X (X= F, Br)","Inorganic Chemistry","1993","32","","101","105","10.1021/ic00053a017","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331443","9.599","","5.755","","8.974","","90","","90","","90","","495.744","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","S F3 B F4","","- B F7 S -","- B F7 S -","- B4 F28 S4 -","4","0.5","","Zalkin, A.; Gibler, D.D.; Fischer, M.; Bartlett, N.; Adams, C.J.","Structural studies of trifluorosulfur(IV)yl, (S F3)(+), salts including the crystal structure of (S F3)(+) (B F4)(-)","Inorganic Chemistry","1972","11","","2325","2329","10.1021/ic50116a007","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331455","13.893","","10.578","","6.075","","90","","90","","90","","892.783","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","B4 F6 P F3","","- B4 F9 P -","- B4 F9 P -","- B16 F36 P4 -","4","0.5","","de Boer, B.G.; Templeton, D.H.; Zalkin, A.","The crystal and molecular structure of phosphorus trifluoride-tris(difluoroboryl)borane, B4 F6 P F3","Inorganic Chemistry","1969","8","","836","841","10.1021/ic50074a028","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331541","20.228","0.004","32.832","0.006","26.962","0.005","90","","90","","90","","17906","6","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C108 H128 F36 N24 O16 P6 Pd6 -","- C108 H128 F36 N24 O16 P6 Pd6 -","- C432 H512 F144 N96 O64 P24 Pd24 -","4","0.5","","Yu, Shu-Yan; Huang, Hai-Ping; Li, Sheng-Hui; Jiao, Qing; Li, Yi-Zhi; Wu, Biao; Sei, Yoshihisa; Yamaguchi, Kentaro; Pan, Yuan-Jiang; Ma, Hong-Wei","Solution self-assembly, spontaneous deprotonation, and crystal structures of bipyrazolate-bridged metallomacrocycles with dimetal centers.","Inorganic chemistry","2005","44","25","9471","9488","10.1021/ic0509332","","","0.71073","MoKα","","0.1053","0.0639","","","0.1224","0.1297","","","","","","0.992","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331542","23.444","0.006","38.64","0.009","13.633","0.003","90","","90","","90","","12350","5","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C80 H88 F24 N16 O12 P4 Pd4 -","- C80 H88 F24 N16 O12 P4 Pd4 -","- C320 H352 F96 N64 O48 P16 Pd16 -","4","0.5","","Yu, Shu-Yan; Huang, Hai-Ping; Li, Sheng-Hui; Jiao, Qing; Li, Yi-Zhi; Wu, Biao; Sei, Yoshihisa; Yamaguchi, Kentaro; Pan, Yuan-Jiang; Ma, Hong-Wei","Solution self-assembly, spontaneous deprotonation, and crystal structures of bipyrazolate-bridged metallomacrocycles with dimetal centers.","Inorganic chemistry","2005","44","25","9471","9488","10.1021/ic0509332","","","0.71073","MoKα","","0.0958","0.0615","","","0.1076","0.1134","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331895","16.0554","0.0019","19.335","0.002","11.6391","0.0014","90","","90","","90","","3613.1","0.7","218","2","218","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C46 H32 Al N8 O2 -","- C46 H30 Al N8 O2 -","- C184 H120 Al4 N32 O8 -","4","0.5","","Cissell, Julie A.; Vaid, Thomas P.; Rheingold, Arnold L.","Aluminum Tetraphenylporphyrin and Aluminum Phthalocyanine Neutral Radicals","Inorganic Chemistry","2006","45","6","2367","2369","10.1021/ic051794r","","","0.71073","MoKα","","0.0615","0.0483","","","0.1271","0.1369","","","","","","1.066","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331985","7.4914","0.0005","9.9397","0.0007","17.3805","0.0012","90","","90","","90","","1294.19","0.15","90","2","90","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H3 Cl0.5 Co N4.5 -","- C3 H3 Cl0.5 Co N4.5 -","- C24 H24 Cl4 Co8 N36 -","8","1","","Ouellette, Wayne; Galán-Mascarós, José R.; Dunbar, Kim R.; Zubieta, Jon","Hydrothermal Synthesis and Structure of a Three-Dimensional Cobalt(II) Triazolate Magnet","Inorganic Chemistry","2006","45","5","1909","1911","10.1021/ic051992i","","x-ray","0.71073","MoKα","","0.0334","0.0293","","","0.0681","0.0699","","","","","","1.128","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332002","13.8342","0.0005","14.8844","0.0005","9.9174","0.0004","90","","90","","90","","2042.13","0.13","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","[H(fac-BQA)PtMe2I][BF4]","[H(fac-BQA)PtMe2I][BF4]","","- C20 H19 B F4 I N3 Pt -","- C20 H19 B F4 I N3 Pt -","- C80 H76 B4 F16 I4 N12 Pt4 -","4","0.5","","Harkins, Seth B.; Peters, Jonas C.","Unexpected Photoisomerization of a Pincer-type Amido Ligand Leads to Facial Coordination at Pt(IV)","Inorganic Chemistry","2006","45","11","4316","4318","10.1021/ic052014h","","x-ray","0.71073","MoKα","","0.0816","0.0497","","","0.1253","0.1453","","","","","","1.032","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332093","13.8948","0.0019","23.039","0.003","7.3397","0.001","90","","90","","90","","2349.6","0.5","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Al14 Co5 Si2 -","- Al14 Co5 Si2 -","- Al112 Co40 Si16 -","8","1","","Wu, Xiuni; Latturner, Susan; Kanatzidis, Mercouri G.","Structurally Complex Cobalt Intermetallics Grown from Liquid Aluminum: Co19Al45Si10-x(x= 0.13) and Co5Al14Si2","Inorganic Chemistry","2006","45","14","5358","5366","10.1021/ic052165k","","","0.71073","MoKα","","0.0316","0.0268","","","0.064","0.0686","","","","","","1.066","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332124","24.3524","0.0014","17.6776","0.001","29.7789","0.0016","90","","90","","90","","12819.6","1.2","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C85 H170 Ni9 O43 -","- C85 H157 Ni9 O43 -","- C340 H628 Ni36 O172 -","4","0.5","","Ovcharenko, Victor; Fursova, Elena; Romanenko, Galina; Eremenko, Igor; Tretyakov, Evgeny; Ikorskii, Vladimir","Synthesis, Structure, and Magnetic Properties of (6−9)-Nuclear Ni(II) Trimethylacetates and Their Heterospin Complexes with Nitroxides","Inorganic Chemistry","2006","45","14","5338","5350","10.1021/ic0522028","","","0.71073","MoKα","","0.0903","0.0622","","","0.1889","0.2091","","","","","","0.972","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332353","6.87","0.002","8.009","0.002","23.731","0.006","90","","90","","90","","1305.7","0.6","273.2","","293.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Cl5 N2 Pt -","- C5.5 H14.5 Cl5.5 N4.38 Pt0.5 -","- C22 H58 Cl22 N17.52 Pt2 -","4","0.5","","Battle, Andrew R.; Choi, Robin; Hibbs, David E.; Hambley, Trevor W.","Platinum(IV) Analogues of AMD473 (cis-[PtCl2(NH3)(2-picoline)]): Preparative, Structural, and Electrochemical Studies","Inorganic Chemistry","2006","45","16","6317","6322","10.1021/ic060273g","","","0.7107","MoKα","","0.0528","0.0457","","0.0568","","0.0546","","","1.229","","","1.321","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332368","9.5276","0.001","28.682","0.005","11.657","0.003","90","","90","","90","","3185.5","1","140","2","140","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C42 H62 Br2 Ca4 N12 O34 -","- C42 H62 Br2 Ca4 N12 O34 -","- C84 H124 Br4 Ca8 N24 O68 -","2","0.25","","Fei, Zhaofu; Geldbach, Tilmann J.; Scopelliti, Rosario; Dyson, Paul J.","Metal−Organic Frameworks Derived from Imidazolium Dicarboxylates and Group I and II Salts","Inorganic Chemistry","2006","45","16","6331","6337","10.1021/ic060297n","","","0.7107","MoKα","","0.1125","0.0908","","","0.2569","0.287","","","","","","1.095","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332449","12.206","0.0009","16.4583","0.0013","13.1838","0.0011","90","","90","","90","","2648.5","0.4","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H29 Eu N6 O13 -","- C17 H29 Eu N6 O13 -","- C68 H116 Eu4 N24 O52 -","4","0.5","","Binyamin, Iris; Pailloux, Sylvie; Duesler, Eileen N.; Rapko, Brian M.; Paine, Robert T.","Synthesis and Lanthanide Coordination Properties of New 2,6-Bis(N-tert-butylacetamide)pyridine and 2,6-Bis(N-tert-butylacetamide)pyridine-N-oxide Ligands","Inorganic Chemistry","2006","45","15","5886","5892","10.1021/ic060389c","","","0.71073","MoKα","","0.0312","0.0236","","","0.0574","0.0608","","","","","","1.046","","","","has coordinates,has disorder","179427","2020-10-21","18:00:00",""
"4332564","9.9947","0.0003","23.8866","0.0009","9.5533","0.0011","90","","90","","90","","2280.7","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H22 N2 O7 P2 Zn2 -","- C19 H22 N2 O7 P2 Zn2 -","- C76 H88 N8 O28 P8 Zn8 -","4","0.5","","Hu, Liangming; Fan, Jian; Slebodnick, Carla; Hanson, Brian E.","Structural Diversity in 4,4‘-Trimethylenedipyridine−zinc phosphite Hybrids: Incorporation of Neutral Guest Molecules in Hybrid Materials","Inorganic Chemistry","2006","45","19","7681","7688","10.1021/ic0605266","","x-ray","0.71073","MoKα","","0.042","0.0329","","","0.0667","0.0683","","","","","","1.159","","","","has coordinates,has disorder","179428","2020-10-21","18:00:00",""
"4332578","7.0497","0.0012","12.706","0.002","15.481","0.002","90","","90","","90","","1386.7","0.4","100","2","100","2","","","","","","","Synthesized","5","P n m a","-P 2ac 2n","62","","","","- C5.67 H5.67 Ba3 N0.33 O12.32 -","- C5.687 H5.687 Ba3 N0.313 O12.313 -","- C22.748 H22.748 Ba12 N1.252 O49.252 -","4","0.5","","Rood, Jeffrey A.; Noll, Bruce C.; Henderson, Kenneth W.","Synthesis, Structural Characterization, Gas Sorption and Guest-Exchange Studies of the Lightweight, Porous Metal−Organic Framework α-[Mg3(O2CH)6]","Inorganic Chemistry","2006","45","14","5521","5528","10.1021/ic060543v","","x-ray","0.71073","MoKα","","0.0184","0.0176","","","0.0423","0.0427","","","","","","1.188","","","","has coordinates,has disorder","179428","2020-10-21","18:00:00",""
"4332687","24.68","0.01","16.137","0.005","17.281","0.009","90","","90","","90","","6882","5","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H44 B Cr3 O72 Rb4 W12 -","- C6 B Cr3 O72 Rb4 W12 -","- C24 B4 Cr12 O288 Rb16 W48 -","4","0.5","","Uchida, Sayaka; Kawamoto, Ryosuke; Mizuno, Noritaka","Recognition of Small Polar Molecules with an Ionic Crystal of α-Keggin-Type Polyoxometalate with a Macrocation","Inorganic Chemistry","2006","45","13","5136","5144","10.1021/ic060684x","","","0.71069","MoKα","","0.2496","0.0649","","","0.1239","0.171","","","","","","0.938","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332774","15.707","0.011","14.474","0.01","7.528","0.005","90","","90","","90","","1711","2","208","2","208","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H8 Au2 Br5.24 Cl0.76 N2 -","- C10 H8 Au2 Br5.32 N2 -","- C40 H32 Au8 Br21.28 N8 -","4","0.5","","Hayoun, Rebecca; Zhong, Diane K.; Rheingold, Arnold L.; Doerrer, Linda H.","Gold(III) and Platinum(II) Polypyridyl Double Salts and a General Metathesis Route to Metallophilic Interactions","Inorganic Chemistry","2006","45","16","6120","6122","10.1021/ic060830z","","","0.71073","MoKα","","0.0411","0.0368","","","0.0958","0.0978","","","","","","1.132","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332987","13.2035","0.0004","7.2634","0.0002","7.1458","0.0002","90","","90","","90","","685.3","0.03","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H12 Mo2 O8 Sn2 -","- C4 H12 Mo2 O8 Sn2 -","- C8 H24 Mo4 O16 Sn4 -","2","0.25","","Reinoso, Santiago; Dickman, Michael H.; Reicke, Markus; Kortz, Ulrich","Hybrid Organic−Inorganic Assemblies Based on Molybdates and Dimethyltin Linkers","Inorganic Chemistry","2006","45","22","9014","9019","10.1021/ic061191v","","","0.71073","MoKα","","0.0677","0.0412","","","0.0907","0.1037","","","","","","1.002","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4333202","25.2572","0.0011","26.0174","0.0011","17.6524","0.0007","90","","90","","90","","11599.9","0.8","150","1","150","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C103 H70 N4 O28 Re4 S2 -","- C103 H70 N4 O28 Re4 S2 -","- C412 H280 N16 O112 Re16 S8 -","4","0.5","","Sathiyendiran, Malaichamy; Liao, Rong-Tang; Thanasekaran, P.; Luo, Tzuoo-Tsair; Venkataramanan, N. S.; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh","Gondola-Shaped Luminescent Tetrarhenium Metallacycles with Crown-Ether-like Multiple Recognition Sites","Inorganic Chemistry","2006","45","25","10052","10054","10.1021/ic061886w","","","0.71073","MoKα","","0.129","0.0763","","","0.1802","0.2087","","","","","","1.115","","","","has coordinates,has disorder","179435","2020-10-21","18:00:00",""
"4333203","25.2555","0.0008","25.9977","0.0008","17.617","0.0005","90","","90","","90","","11567.1","0.6","150","1","150","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C92 H72 N4 O30 Re4 S2 -","- C92 H72 N4 O30 Re4 S2 -","- C368 H288 N16 O120 Re16 S8 -","4","0.5","","Sathiyendiran, Malaichamy; Liao, Rong-Tang; Thanasekaran, P.; Luo, Tzuoo-Tsair; Venkataramanan, N. S.; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh","Gondola-Shaped Luminescent Tetrarhenium Metallacycles with Crown-Ether-like Multiple Recognition Sites","Inorganic Chemistry","2006","45","25","10052","10054","10.1021/ic061886w","","","0.71073","MoKα","","0.1559","0.089","","","0.2426","0.3022","","","","","","1.138","","","","has coordinates,has disorder","179435","2020-10-21","18:00:00",""
"4333264","17.979","0.0019","18.0889","0.0019","9.9044","0.0011","90","","90","","90","","3221.1","0.6","141","2","141","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H44 F2 N2 U -","- C36 H44 F2 N2 U -","- C144 H176 F8 N8 U4 -","4","0.5","","Schelter, Eric J.; Yang, Ping; Scott, Brian L.; Thompson, J. D.; Martin, Richard L.; Hay, P. Jeffrey; Morris, David E.; Kiplinger, Jaqueline L.","Systematic Studies of Early Actinide Complexes: Uranium(IV) Fluoroketimides","Inorganic Chemistry","2007","46","18","7477","7488","10.1021/ic700455b","","","0.71073","MoKα","","0.0781","0.0712","","","0.1908","0.1915","","","","","","3.486","","","","has coordinates,has disorder","179435","2020-10-21","18:00:00",""
"4333316","18.506","0.002","4.6865","0.0006","7.3414","0.0009","90","","90","","90","","636.71","0.13","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","LaAu2In4","","- Au2 In4 La -","- Au2 In4 La -","- Au8 In16 La4 -","4","0.5","","Salvador, James R.; Hoang, Khang; Mahanti, S. D.; Kanatzidis, Mercouri G.","REAu2In4(RE = La, Ce, Pr, Nd): Polyindides from Liquid Indium","Inorganic Chemistry","2007","46","17","6933","6941","10.1021/ic700633b","","","0.71073","MoK\α","","0.0349","0.0316","","","0.0845","0.0859","","","","","","1.196","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333317","18.514","0.003","4.6624","0.0008","7.3888","0.0012","90","","90","","90","","637.8","0.18","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","CeAu2In4","","- Au2 Ce In4 -","- Au2 Ce In4 -","- Au8 Ce4 In16 -","4","0.5","","Salvador, James R.; Hoang, Khang; Mahanti, S. D.; Kanatzidis, Mercouri G.","REAu2In4(RE = La, Ce, Pr, Nd): Polyindides from Liquid Indium","Inorganic Chemistry","2007","46","17","6933","6941","10.1021/ic700633b","","","0.71073","MoK\α","","0.043","0.0382","","","0.095","0.0968","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333318","18.42","0.004","4.6202","0.0009","7.376","0.0015","90","","90","","90","","627.7","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","PrAu2In4","","- Au2 In4 Pr -","- Au2 In4 Pr -","- Au8 In16 Pr4 -","4","0.5","","Salvador, James R.; Hoang, Khang; Mahanti, S. D.; Kanatzidis, Mercouri G.","REAu2In4(RE = La, Ce, Pr, Nd): Polyindides from Liquid Indium","Inorganic Chemistry","2007","46","17","6933","6941","10.1021/ic700633b","","","0.71073","MoK\α","","0.0382","0.033","","","0.0755","0.0778","","","","","","1.129","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333319","18.4059","0.0018","4.6114","0.0005","7.4073","0.0007","90","","90","","90","","628.71","0.11","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","NdAu2In4","","- Au2 In4 Nd -","- Au2 In4 Nd -","- Au8 In16 Nd4 -","4","0.5","","Salvador, James R.; Hoang, Khang; Mahanti, S. D.; Kanatzidis, Mercouri G.","REAu2In4(RE = La, Ce, Pr, Nd): Polyindides from Liquid Indium","Inorganic Chemistry","2007","46","17","6933","6941","10.1021/ic700633b","","","0.71073","MoK\α","","0.0375","0.0363","","","0.0891","0.0898","","","","","","1.14","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333349","9.3447","0.0011","14.7948","0.0018","16.563","0.002","90","","90","","90","","2289.9","0.5","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H19 Cu3 Mo N4 S5 -","- C16 H19 Cu3 Mo N4 S5 -","- C64 H76 Cu12 Mo4 N16 S20 -","4","0.5","","Zhang, Wen-Hua; Song, Ying-Lin; Ren, Zhi-Gang; Li, Hong-Xi; Li, Ling-Ling; Zhang, Yong; Lang, Jian-Ping","Construction of [(eta5-C5Me5)MoS3Cu3]-based supramolecular assemblies from the [(eta5-C5Me5)MoS3(CuNCS)3]- cluster anion and multitopic ligands with different symmetries.","Inorganic chemistry","2007","46","16","6647","6660","10.1021/ic700762x","","","0.7107","MoKα","","0.0437","0.0397","","","0.069","0.0703","","","","","","1.276","","","","has coordinates","179436","2020-10-21","18:00:00",""
"4333578","17.1238","0.0011","20.115","0.0013","27.1291","0.0016","90","","90","","90","","9344.5","1","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C42 H24 N0 O15 Zn4 -","- C42 H24 O15 Zn4 -","- C168 H96 O60 Zn16 -","4","0.5","","Ioannis Spanopoulos; Pantelis Xydias; Christos D. Malliakas; Pantelis N. Trikalitis","A Straight Forward Route for the Development of Metal-Organic Frameworks Functionalized with Aromatic -OH Groups: Synthesis, Characterization, and Gas (N2, Ar, H2, CO2, CH4, NH3) Sorption Properties","Inorganic Chemistry","2013","52","","855","862","10.1021/ic302010e","","","0.4428","","","0.0816","0.0704","","","0.1959","0.2051","","","","","","1.034","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333604","11.9045","0.0005","14.6137","0.0008","20.9467","0.0011","90","","90","","90","","3644.1","0.3","108","","108","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C30 H30 F6 N4 O2 Os P -","- C30 H23 F6 N4 O4.5 Os P -","- C120 H92 F24 N16 O18 Os4 P4 -","4","0.5","","Hideki Sugimoto; Kenji Ashikari; Shinobu Itoh","C-H Bond Activation of the Methyl Group of the Supporting Ligand in an Osmium(III) Complex upon Reaction with H2O2: Formation of an Organometallic Osmium(IV) Complex","Inorganic Chemistry","2013","52","","543","545","10.1021/ic302169k","","","0.71075","MoKα","","","0.0543","","","","0.1355","","","","","","1.301","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333685","12.661","0.0009","24.1351","0.001","9.295","0.0013","90","","90","","90","","2840.3","0.5","150","1","150","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C26 H27 B2 Bi F6 N2 O3 -","- C26 H27 B2 Bi F6 N2 O3 -","- C104 H108 B8 Bi4 F24 N8 O12 -","4","0.5","","Barbora Mairychová; Tomáš Svoboda; Petr Štěpnička; Aleš Růžička; Remco W. A. Havenith; Mercedes Alonso; Frank De Proft; Roman Jambor; Libor Dostál","Synthesis and Structural Characterization of Heteroboroxines with MB2O3 Core (M = Sb, Bi, Sn)","Inorganic Chemistry","2013","52","","1424","1431","10.1021/ic302153s","","","0.71073","MoKα","","0.0545","0.0395","","","0.0853","0.0931","","","","","","1.098","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333801","16.5679","0.0006","11.6568","0.0004","10.5831","0.0004","90","","90","","90","","2043.9","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H13 Ba2 Nb O23 -","- C8 H13 Ba2 Nb O23 -","- C32 H52 Ba8 Nb4 O92 -","4","0.5","","Marijana Jurić; Jasminka Popović; Ana Šantić; Krešimir Molčanov; Nevenka Brničević; Pavica Planinić","Single-Step Preparation of the Mixed BaII-NbV Oxides from a Heteropolynuclear Oxalate Complex","Inorganic Chemistry","2013","52","","1832","1842","10.1021/ic301888p","","x-ray","0.71073","MoKα","","","0.0243","","","","0.0564","","","","","","0.972","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333932","21.669","0.005","24.406","0.006","8.2686","0.0017","90","","90","","90","","4372.9","1.7","110","2","110","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C57 H45 Cl2 N3 O Pt -","- C57 H45 Cl2 N3 O Pt -","- C228 H180 Cl8 N12 O4 Pt4 -","4","0.5","","Zhaoli Xue; Daiki Kuzuhara; Shinya Ikeda; Tetsuo Okujima; Shigeki Mori; Hidemitsu Uno; Hiroko Yamada","Synthesis and Characterization of New Platinum(II) and Platinum(IV) Triphyrin Complexes","Inorganic Chemistry","2013","52","","1688","1690","10.1021/ic302624h","","","0.71075","MoKα","","0.0565","0.0488","","","0.1026","0.1068","","","","","","1.108","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333987","17.216","0.003","17.694","0.003","7.5668","0.0015","90","","90","","90","","2305","0.7","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H32 Co P Si2 -","- C20 H32 Co P Si2 -","- C80 H128 Co4 P4 Si8 -","4","0.5","","Fernando Hung-Low; Christopher A. Bradley","Synthesis of a Bis(indenyl) Co(I) Anion: A Reactive Source of a 14 Electron Indenyl Co(I) Equivalent","Inorganic Chemistry","2013","52","","2446","2457","10.1021/ic302320w","","","0.71073","MoKα","","0.0425","0.0352","","","0.1005","0.1063","","","","","","1.059","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4334085","13.144551","0.000013","5.69496","0.000005","10.24763","0.000009","90","","90","","90","","767.114","0.0012","295","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Fe O4 Y -","- Ba Fe O4 Y -","- Ba8 Fe8 O32 Y8 -","8","1","","Friederike Wrobel; Moureen C. Kemei; Shahab Derakhshan","Antiferromagnetic Spin Correlations Between Corner-Shared [FeO5]7- and [FeO6]9- Units, in the Novel Iron-Based Compound: BaYFeO4","Inorganic Chemistry","2013","52","","2671","2677","10.1021/ic301040d","powder diffraction","","","","","","","","","","","","","1.88","","","","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334240","8.0849","0.0007","4.8517","0.0004","8.7504","0.0008","90","","90","","90","","343.24","0.05","290","2","290","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu Mg Sn -","- Eu Mg Sn -","- Eu4 Mg4 Sn4 -","4","0.5","","Xiaowei Ma; Jun Lu; Jeffrey B. Whalen; Susan E. Latturner","Flux Growth and Magnetoresistance Behavior of Rare Earth Zintl Phase EuMgSn","Inorganic Chemistry","2013","52","","3342","3348","10.1021/ic302828p","","","0.71073","MoKα","","0.0142","0.0137","","","0.029","0.0291","","","","","","1.138","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334386","8.3251","0.0008","13.3513","0.0012","18.0199","0.0017","90","","90","","90","","2002.9","0.3","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C16 H24 Ag F3 N4 O3 S -","- C16 H24 Ag F3 N4 O3 S -","- C64 H96 Ag4 F12 N16 O12 S4 -","4","0.5","","Juan Gil-Rubio; Verónica Cámara; Delia Bautista; José Vicente","Mono- and Dinuclear Ag(I), Au(I), and Au(III) Metallamacrocycles Containing N-Heterocyclic Dicarbene Ligands","Inorganic Chemistry","2013","52","","4071","4083","10.1021/ic400184p","","","0.71073","MoKα","","0.0459","0.0401","","","0.0786","0.0808","","","","","","1.176","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334413","14.329","0.002","13.027","0.002","13.136","0.002","90","","90","","90","","2452","0.6","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H34 Br F3 P2 Pt -","- C19 H34 Br F3 P2 Pt -","- C76 H136 Br4 F12 P8 Pt4 -","4","0.5","","Alice Raphael Karikachery; Han Baek Lee; Mehdi Masjedi; Andreas Ross; Morgan A. Moody; Xiaochen Cai; Megan Chui; Carl D. Hoff; Paul R. Sharp","High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","4113","4119","10.1021/ic4004998","","","0.71073","MoKα","","0.0262","0.025","","","0.0673","0.0679","","","","","","1.212","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334416","18.5761","0.0017","12.9695","0.0012","10.532","0.001","90","","90","","90","","2537.4","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H37 Br P2 Pt -","- C22 H37 Br P2 Pt -","- C88 H148 Br4 P8 Pt4 -","4","0.5","","Alice Raphael Karikachery; Han Baek Lee; Mehdi Masjedi; Andreas Ross; Morgan A. Moody; Xiaochen Cai; Megan Chui; Carl D. Hoff; Paul R. Sharp","High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","4113","4119","10.1021/ic4004998","","","0.71073","MoKα","","0.0712","0.0514","","","0.118","0.1296","","","","","","1.115","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334430","7.6413","0.0007","7.566","0.0007","18.1056","0.0016","90","","90","","90","","1046.76","0.16","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H8 Mn N4 O5 -","- C8 H8 Mn N4 O5 -","- C32 H32 Mn4 N16 O20 -","4","0.5","","Yan-Qin Wang; Qi Yue; Yan Qi; Kun Wang; Qian Sun; En-Qing Gao","Manganese(II), Iron(II), and Mixed-Metal Metal-Organic Frameworks Based on Chains with Mixed Carboxylate and Azide Bridges: Magnetic Coupling and Slow Relaxation","Inorganic Chemistry","2013","52","","4259","4268","10.1021/ic302162c","","","0.71073","MoKα","","0.1075","0.0683","","","0.198","0.2167","","","","","","1.003","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334692","7.4536","0.0004","4.4838","0.0002","9.5466","0.0004","90","","90","","90","","319.05","0.03","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- D2 Ga Rb -","- D2 Ga Rb -","- D8 Ga4 Rb4 -","4","0.5","","Henrik Fahlquist; Dag Noréus; Magnus H. Sørby","Varying the Alkali-Metal Radii in (KxRb1-x)n[GaH2]n (0 <=x<= 1) Reorients a Stable Polyethylene-Structured [GaH2]nn- Anionic Chain","Inorganic Chemistry","2013","52","","4771","4773","10.1021/ic400224a","powder diffraction","neutron","1.5556","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.7348","","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4334758","9.7749","0.001","21.936","0.002","13.4714","0.0014","90","","90","","90","","2888.6","0.5","120","2","120","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C23 H21 Cl F6 N5 O4 P Ru -","- C23 H21 Cl F6 N5 O4 P Ru -","- C92 H84 Cl4 F24 N20 O16 P4 Ru4 -","4","0.5","","Misaki Makino; Tomoya Ishizuka; Shingo Ohzu; Jiang Hua; Hiroaki Kotani; Takahiko Kojima","Synthesis and Characterization of an Azido-Bridged Dinuclear Ruthenium(II) Polypyridylamine Complex Forming a Mixed-Valence State","Inorganic Chemistry","2013","52","","5507","5514","10.1021/ic400412f","","","0.71073","MoKα","","0.0525","0.0442","","","0.1305","0.1345","","","","","","1.113","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334769","12.4545","0.0002","5.2967","0.0001","7.8044","0.0001","90","","90","","90","","514.839","0.014","173","0.2","173","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ga Na O6 Se2 -","- Ga Na O6 Se2 -","- Ga4 Na4 O24 Se8 -","4","0.5","","Dong Woo Lee; Kang Min Ok","New Alkali-Metal Gallium Selenites, AGa(SeO3)2 (A = Li, Na, K, and Cs): Effect of Cation Size on the Framework Structures and Macroscopic Centricities","Inorganic Chemistry","2013","52","","5176","5184","10.1021/ic400458a","","","0.71073","MoKα","","0.0372","0.0292","","","0.0636","0.0675","","","","","","1.01","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334770","14.9753","0.0003","5.3251","0.0001","7.2875","0.0001","90","","90","","90","","581.141","0.018","173","0.2","173","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ga K O6 Se2 -","- Ga K O6 Se2 -","- Ga4 K4 O24 Se8 -","4","0.5","","Dong Woo Lee; Kang Min Ok","New Alkali-Metal Gallium Selenites, AGa(SeO3)2 (A = Li, Na, K, and Cs): Effect of Cation Size on the Framework Structures and Macroscopic Centricities","Inorganic Chemistry","2013","52","","5176","5184","10.1021/ic400458a","","","0.71073","MoKα","","0.0202","0.0182","","","0.0386","0.0392","","","","","","1.087","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334920","5.7897","0.0004","3.8925","0.0003","21.4036","0.0017","90","","90","","90","","482.36","0.06","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba0.738 Fe1.026 Mn0.974 O5 Pb1.262 -","- Ba0.74 Fe1.029 Mn0.971 O5 Pb1.26 -","- Ba2.96 Fe4.116 Mn3.884 O20 Pb5.04 -","4","0.5","","N. Barrier; O. I. Lebedev; Md. Motin Seikh; F. Porcher; B. Raveau","Impact of Mn3+ upon Structure and Magnetism of the Perovskite Derivative Pb2-xBaxFeMnO5 (x~ 0.7)","Inorganic Chemistry","2013","52","","6073","6082","10.1021/ic400426m","powder diffraction","neutron","1.22515","neutron","","0.0226","0.0224","","0.0288","0.0288","","","","1.95","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4334950","12.775","0.003","10.029","0.002","8.0453","0.0016","90","","90","","90","","1030.8","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","tristrontium beryllium hexaborate","","- B6 Be O13 Sr3 -","- B6 Be O13 Sr3 -","- B24 Be4 O52 Sr12 -","4","0.5","","Wenjiao Yao; Hongwei Huang; Jiyong Yao; Tao Xu; Xingxing Jiang; Zheshuai Lin; Chuangtian Chen","Sr3BeB6O13: A New Borate in the SrO/BeO/B2O3 System with Novel Tri-Six-Membered Ring (BeB6O15)10- Building Block","Inorganic Chemistry","2013","52","","6136","6141","10.1021/ic400515m","","","0.71073","MoKα","","0.0276","0.0228","","","0.0504","0.0521","","","","","","1.094","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334980","12.963","0.003","8.5995","0.0017","9.641","0.002","90","","90","","90","","1074.7","0.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H11 F5 N P -","- C9 H11 F5 N P -","- C36 H44 F20 N4 P4 -","4","0.5","","Tobias Böttcher; Bassem S. Bassil; Lyuben Zhechkov; Gerd-Volker Röschenthaler","Phosphorus(V) Complexes with Acyclic Monoaminocarbene Ligands via Oxidative Addition","Inorganic Chemistry","2013","52","","5651","5653","10.1021/ic400756z","","","0.71073","MoKα","","0.0367","0.0304","","","0.0786","0.0831","","","","","","1.003","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334981","15.6057","0.0015","8.6683","0.0008","7.6103","0.0008","90","","90","","90","","1029.48","0.17","100","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H15 F5 N P -","- C7 H15 F5 N P -","- C28 H60 F20 N4 P4 -","4","0.5","","Tobias Böttcher; Bassem S. Bassil; Lyuben Zhechkov; Gerd-Volker Röschenthaler","Phosphorus(V) Complexes with Acyclic Monoaminocarbene Ligands via Oxidative Addition","Inorganic Chemistry","2013","52","","5651","5653","10.1021/ic400756z","","","0.71073","MoKα","","0.0439","0.0355","","","0.104","0.1116","","","","","","1.016","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334996","17.3282","0.0006","23.0629","0.0006","13.5233","0.0004","90","","90","","90","","5404.4","0.3","170","","170","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C62 H50 N7 O P2 Re -","- C62 H50 N7 O P2 Re -","- C248 H200 N28 O4 P8 Re4 -","4","0.5","","Hayato Ikeda; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara; Takashi Yoshimura","Excited-State Characteristics of Tetracyanidonitridorhenium(V) and -technetium(V) Complexes with N-Heteroaromatic Ligands","Inorganic Chemistry","2013","52","","6319","6327","10.1021/ic302463v","","","0.71075","MoKα","","","0.0365","","","","0.077","","","","","","0.848","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4335028","16.7214","0.0018","10.5069","0.0012","14.3848","0.0016","90","","90","","90","","2527.3","0.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H35 N O Si Yb -","- C28 N O Si Yb -","- C112 N4 O4 Si4 Yb4 -","4","0.5","","Shuangliu Zhou; Zhangshuan Wu; Lingmin Zhou; Shaowu Wang; Lijun Zhang; Xiancui Zhu; Yun Wei; Jinhua Zhai; Jie Wu","Controlled Synthesis of Racemic Indenyl Rare-Earth Metal Complexes via the Cooperation between the Intramolecular Coordination of Donor Atoms and a Bridge","Inorganic Chemistry","2013","52","","6417","6426","10.1021/ic4003109","","","0.71073","MoKα","","0.0541","0.048","","","0.1448","0.1472","","","","","","1.31","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335122","13.3931","0.0015","13.0149","0.0016","7.8019","0.001","90","","90","","90","","1359.9","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B4 H2 O13 Pb6 -","- B4 O13 Pb6 -","- B16 O52 Pb24 -","4","0.5","","Han-Rui Tian; Wen-Hua Wang; Yan-E Gao; Ting-Ting Deng; Jia-Ying Wang; Yun-Long Feng; Jian-Wen Cheng","Facile Assembly of an Unusual Lead Borate with Different Cluster Building Units via a Hydrothermal Process","Inorganic Chemistry","2013","52","","6242","6244","10.1021/ic400752y","","","0.71073","MoKα","","0.0722","0.0679","","","0.1613","0.1657","","","","","","1.04","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335167","5.969","0.004","4.195","0.001","11.993","0.005","90","","90","","90","","300.3","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Ge Ni -","- Ba Ge Ni -","- Ba4 Ge4 Ni4 -","4","0.5","","Viktor Hlukhyy; Lisa Siggelkow; Thomas F. Fässler","From One to Three Dimensions: Corrugated\ιnfty1 [NiGe] Ribbons as a Building Block in Alkaline Earth Metal Ae/Ni/Ge Phases with Crystal Structure and Chemical Bonding in AeNiGe (Ae = Mg, Sr, Ba)","Inorganic Chemistry","2013","52","","6905","6915","10.1021/ic302681t","","","0.71073","MoKα","","0.0267","0.0218","","","0.0477","0.0492","","","","","","1.076","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335168","6.47418","0.00015","4.07161","0.00009","6.94261","0.00017","90","","90","","90","","183.01","0.007","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge Mg Ni -","- Ge Mg Ni -","- Ge4 Mg4 Ni4 -","4","0.5","","Viktor Hlukhyy; Lisa Siggelkow; Thomas F. Fässler","From One to Three Dimensions: Corrugated\ιnfty1 [NiGe] Ribbons as a Building Block in Alkaline Earth Metal Ae/Ni/Ge Phases with Crystal Structure and Chemical Bonding in AeNiGe (Ae = Mg, Sr, Ba)","Inorganic Chemistry","2013","52","","6905","6915","10.1021/ic302681t","","","0.71073","MoKα","","0.0154","0.0148","","","0.0328","0.033","","","","","","1.298","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335169","5.7268","0.0013","4.1742","0.0009","11.4","0.003","90","","90","","90","","272.51","0.11","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge Ni Sr -","- Ge Ni Sr -","- Ge4 Ni4 Sr4 -","4","0.5","","Viktor Hlukhyy; Lisa Siggelkow; Thomas F. Fässler","From One to Three Dimensions: Corrugated\ιnfty1 [NiGe] Ribbons as a Building Block in Alkaline Earth Metal Ae/Ni/Ge Phases with Crystal Structure and Chemical Bonding in AeNiGe (Ae = Mg, Sr, Ba)","Inorganic Chemistry","2013","52","","6905","6915","10.1021/ic302681t","","","0.71073","MoKα","","0.0485","0.0361","","","0.0782","0.0825","","","","","","1.057","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335195","6.99","0.0012","6.3339","0.0012","15.124","0.003","90","","90","","90","","669.6","0.2","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H6 Ag Cl N4 -","- C3 H6 Ag Cl N4 -","- C12 H24 Ag4 Cl4 N16 -","4","0.5","","Lars-Arne Schaper; Xuhui Wei; Philipp J. Altmann; Karl Öfele; Alexander Pöthig; Markus Drees; János Mink; Eberhardt Herdtweck; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn","Synthesis and Comparison of Transition Metal Complexes of Abnormal and Normal Tetrazolylidenes: A Neglected Ligand Species","Inorganic Chemistry","2013","52","","7031","7044","10.1021/ic4005449","","x-ray","0.71073","MoKα","","0.0129","0.0123","","","0.0319","0.0322","","","","","","1.053","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335338","18.525","0.0019","20.136","0.002","6.1995","0.0007","90","","90","","90","","2312.5","0.4","294","2","294","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","","","- C19 H20 Cu N4 O10 U -","- C19 H20 Cu N4 O10 U -","- C76 H80 Cu4 N16 O40 U4 -","4","0.5","","Soumavo Ghosh; Saptarshi Biswas; Antonio Bauzá; Miquel Barceló-Oliver; Antonio Frontera; Ashutosh Ghosh","Use of Metalloligands [CuL] (H2L = Salen Type Di-Schiff Bases) in the Formation of Heterobimetallic Copper(II)-Uranyl Complexes: Photophysical Investigations, Structural Variations, and Theoretical Calculations","Inorganic Chemistry","2013","52","","7508","7523","10.1021/ic400422d","","x-ray","0.71073","MoKα","","0.1132","0.095","","","0.2702","0.2824","","","","","","1.161","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335358","9.221","0.0004","18.3933","0.0009","8.1667","0.0004","90","","90","","90","","1385.11","0.11","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H26 N3 O P -","- C9 H24 N3 O P -","- C36 H96 N12 O4 P4 -","4","0.5","","Arvind K. Gupta; S. Arun Dixith Reddy; Ramamoorthy Boomishankar","Facile Formation of Stable Tris(imido)phosphate Trianions as Their Tri- and Hexanuclear Pd(II) Complexes in Protic Solvents","Inorganic Chemistry","2013","52","","7608","7614","10.1021/ic400686e","","","0.71073","MoKα","","0.0708","0.0443","","","0.1121","0.1284","","","","","","1.02","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335449","12.8388","0.0005","10.4032","0.0004","11.9416","0.0005","90","","90","","90","","1594.98","0.11","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H15 B5 Te2 W2 -","- C10 H15 B5 Te2 W2 -","- C40 H60 B20 Te8 W8 -","4","0.5","","Kiran Kumarvarma Chakrahari; Arunabha Thakur; Bijan Mondal; V. Ramkumar; Sundargopal Ghosh","Hypoelectronic Dimetallaheteroboranes of Group 6 Transition Metals Containing Heavier Chalcogen Elements","Inorganic Chemistry","2013","52","","7923","7932","10.1021/ic400432v","","","0.71073","MoKα","","0.0511","0.0415","","","0.1325","0.1422","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335518","5.3978","0.0002","12.2169","0.0006","15.2345","0.0007","90","","90","","90","","1004.63","0.08","200","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H5 F9 N2 Ti2 -","- C3 H5 F9 N2 Ti2 -","- C12 H20 F36 N8 Ti8 -","4","0.5","","Igor M. Shlyapnikov; Hélène P. A. Mercier; Evgeny A. Goreshnik; Gary J. Schrobilgen; Zoran Mazej","Crystal Structures and Raman Spectra of Imidazolium Poly[perfluorotitanate(IV)] Salts Containing the [TiF6]2-, ([Ti2F9]-)\ιnfty, and [Ti2F11]3- and the New [Ti4F20]4- and [Ti5F23]3- Anions","Inorganic Chemistry","2013","52","","8315","8326","10.1021/ic302468j","","","0.71069","MoKα","","0.0599","0.0487","","","0.1396","0.1508","","","","","","1.151","","","","has coordinates,has disorder","179458","2020-10-21","18:00:00",""
"4335574","18.084","0.002","17.808","0.002","11.8374","0.0014","90","","90","","90","","3812.1","0.8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H52 Br O2 P3 Pd3 -","- C29 H52 Br O2 P3 Pd3 -","- C116 H208 Br4 O8 P12 Pd12 -","4","0.5","","Veronica Bonuccelli; Tiziana Funaioli; Piero Leoni; Fabio Marchetti; Lorella Marchetti","Synthesis and Spectroscopic and Spectroelectrochemical Characterization of a New Family of 44e-Tris-Phosphido-Bridged Palladium Triangles","Inorganic Chemistry","2013","52","","8759","8769","10.1021/ic4009448","","","0.71073","MoKα","","0.1273","0.056","","","0.0966","0.1191","","","","","","0.986","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335596","9.598","0.0001","20.1851","0.0003","6.5895","0.0001","90","","90","","90","","1276.63","0.03","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H20 O2 P2 -","- C12 H20 O2 P2 -","- C48 H80 O8 P8 -","4","0.5","","Daniel Tofan; Manuel Temprado; Subhojit Majumdar; Carl D. Hoff; Christopher C. Cummins","Functionalization Reactions Characteristic of a Robust Bicyclic Diphosphane Framework","Inorganic Chemistry","2013","52","","8851","8864","10.1021/ic401052a","","","1.54178","CuKα","","0.0302","0.0291","","","0.0815","0.0823","","","","","","1.077","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335613","7.6458","0.0002","4.5158","0.0001","8.0403","0.0003","90","","90","","90","","277.607","0.014","295","2","295.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- As Li Sr -","- As Li Sr -","- As4 Li4 Sr4 -","4","0.5","","Xian-Juan Feng; Yurii Prots; Marcus Peter Schmidt; Stefan Hoffmann; Igor Veremchuk; Walter Schnelle; Ulrich Burkhardt; Jing-Tai Zhao; Yuri Grin","Synthesis, Structure, and Properties of Two Zintl Phases around the Composition SrLiAs","Inorganic Chemistry","2013","52","","8971","8978","10.1021/ic401166v","","","0.71073","MoKα","","","0.028","","","0.028","","","","","","","1.36","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335616","10.3481","0.0005","7.8908","0.0004","11.2123","0.0005","90","","90","","90","","915.54","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B3 N O10 Pb3 -","- B3 N O10 Pb3 -","- B12 N4 O40 Pb12 -","4","0.5","","Jun-Ling Song; Chun-Li Hu; Xiang Xu; Fang Kong; Jiang-Gao Mao","Pb2B3O5.5(OH)2 and [Pb3(B3O7)](NO3): Facile Syntheses of New Lead(II) Borates by Simply Changing the pH Values of the Reaction Systems","Inorganic Chemistry","2013","52","","8979","8986","10.1021/ic401175r","","","0.71073","MoKα","","0.0295","0.0275","","","0.0663","0.0678","","","","","","1.132","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335639","10.4342","0.0007","4.7905","0.0003","17.761","0.001","90","","90","","90","","887.78","0.1","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","delta-Cesium_Lead_Iodide","","","- Cs I3 Pb -","- Cs I3 Pb -","- Cs4 I12 Pb4 -","4","0.5","","Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis","Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties","Inorganic Chemistry","2013","52","","9019","9038","10.1021/ic401215x","","","0.71073","MoKα","","0.0364","0.0266","","","0.0457","0.0477","","","","","","1.069","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335671","10.449","0.002","31.394","0.005","6.6452","0.0014","90","","90","","90","","2179.9","0.7","143","1","143","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H34 B10 Si2 -","- C10 H34 B10 Si2 -","- C40 H136 B40 Si8 -","4","0.5","","Shahana Chatterjee; Patrick J. Carroll; Larry G. Sneddon","Iridium and Ruthenium Catalyzed Syntheses, Hydroborations, and Metathesis Reactions of Alkenyl-Decaboranes","Inorganic Chemistry","2013","52","","9119","9130","10.1021/ic401356u","","","0.71073","MoKα","","0.0619","0.0581","","","0.145","0.1476","","","","","","1.089","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335692","14.595","0.004","12.004","0.004","12.727","0.004","90","","90","","90","","2229.7","1.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H27 Cl2 Ir N2 O3 -","- C20.5897 H27 Cl2 Ir N2 O3 -","- C82.3588 H108 Cl8 Ir4 N8 O12 -","4","0.5","","Joseph DePasquale; Ismael Nieto; Lauren E. Reuther; Corey J. Herbst-Gervasoni; Jared J. Paul; Vadym Mochalin; Matthias Zeller; Christine M. Thomas; Anthony W. Addison; Elizabeth T. Papish","Iridium Dihydroxybipyridine Complexes Show That Ligand Deprotonation Dramatically Speeds Rates of Catalytic Water Oxidation","Inorganic Chemistry","2013","52","","9175","9183","10.1021/ic302448d","","","0.71073","MoKα","","0.0175","0.0161","","","0.0394","0.0407","","","","","","1.086","","","","has coordinates,has disorder","179459","2020-10-21","18:00:00",""
"4335720","22.2075","0.0006","12.3261","0.0003","12.2305","0.0003","90","","90","","90","","3347.88","0.15","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C35 H12 Cu N8 O15 -","- C35 H12 Cu N8 O15 -","- C140 H48 Cu4 N32 O60 -","4","0.5","","Wen-Jing Hu; Long-Qing Liu; Ming-Liang Ma; Xiao-Li Zhao; Yahu A. Liu; Xian-Qiang Mi; Biao Jiang; Ke Wen","A Trigonal Prismatic Ligand in the Metal-Mediated Self-Assembly of One- and Two-Dimensional Metallosupramolecular Polymers","Inorganic Chemistry","2013","52","","9309","9319","10.1021/ic400751n","","","0.71073","MoKα","","0.0475","0.0421","","","0.1199","0.1269","","","","","","1.056","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335774","16.779","0.005","14.807","0.004","11.232","0.003","90","","90","","90","","2790.6","1.3","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H28 N2 O12 V3 -","- C25 H28 N2 O12 V3 -","- C100 H112 N8 O48 V12 -","4","0.5","","Kisholoy Bhattacharya; Manoranjan Maity; Sk Md Towsif Abtab; Mithun Chandra Majee; Muktimoy Chaudhury","Homo- and Heterometal Complexes of Oxido-Metal Ions with a Triangular [V(V)O-MO-V(V)O] [M = V(IV) and Re(V)] Core: Reporting Mixed-Oxidation Oxido-Vanadium(V/IV/V) Compounds with Valence Trapped Structures","Inorganic Chemistry","2013","52","","9597","9605","10.1021/ic4013203","","","0.71073","MoKα","","0.0719","0.043","","","0.119","0.1405","","","","","","0.903","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335775","24.191","0.005","13.926","0.003","8.5137","0.0019","90","","90","","90","","2868.1","1.1","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H33 N2 O12 Re V2 -","- C24 H33 N2 O12 Re V2 -","- C96 H132 N8 O48 Re4 V8 -","4","0.5","","Kisholoy Bhattacharya; Manoranjan Maity; Sk Md Towsif Abtab; Mithun Chandra Majee; Muktimoy Chaudhury","Homo- and Heterometal Complexes of Oxido-Metal Ions with a Triangular [V(V)O-MO-V(V)O] [M = V(IV) and Re(V)] Core: Reporting Mixed-Oxidation Oxido-Vanadium(V/IV/V) Compounds with Valence Trapped Structures","Inorganic Chemistry","2013","52","","9597","9605","10.1021/ic4013203","","","0.71073","MoKα","","0.0631","0.0553","","","0.1755","0.181","","","","","","1.521","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335786","16.7352","0.0016","6.3794","0.0006","8.8122","0.0009","90","","90","","90","","940.8","0.16","170","2","170","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 Au Cl2 N5 -","- C5 H6 Au Cl2 N5 -","- C20 H24 Au4 Cl8 N20 -","4","0.5","","Thomas J. Robilotto; Nihal Deligonul; James B. Updegraff; Thomas G. Gray","Azido, Triazolyl, and Alkynyl Complexes of Gold(I): Syntheses, Structures, and Ligand Effects","Inorganic Chemistry","2013","52","","9659","9668","10.1021/ic4014569","","","0.71073","MoKα","","0.0218","0.0198","","","0.0445","0.045","","","","","","1.191","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335787","9.1386","0.0007","6.9823","0.0005","18.7475","0.0014","90","","90","","90","","1196.25","0.15","170","2","170","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H16 Au N5 -","- C9 H16 Au N5 -","- C36 H64 Au4 N20 -","4","0.5","","Thomas J. Robilotto; Nihal Deligonul; James B. Updegraff; Thomas G. Gray","Azido, Triazolyl, and Alkynyl Complexes of Gold(I): Syntheses, Structures, and Ligand Effects","Inorganic Chemistry","2013","52","","9659","9668","10.1021/ic4014569","","","0.71073","MoKα","","0.0333","0.0314","","","0.0606","0.0611","","","","","","1.44","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335850","15.728","0.006","6.839","0.002","18.464","0.007","90","","90","","90","","1986.1","1.2","173.1","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H18 N7 O2 S -","- C20 H15 N7 O2 S -","- C80 H60 N28 O8 S4 -","4","0.5","","Yoshiaki Shuku; Rie Suizu; Alex Domingo; Carmen J. Calzado; Vincent Robert; Kunio Awaga","Multidimensional Network Structures and Versatile Magnetic Properties of Intermolecular Compounds of a Radical-Anion Ligand, [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide","Inorganic Chemistry","2013","52","","9921","9930","10.1021/ic401078z","","","0.7107","MoKα","","","0.0885","","","","0.1925","","","","","","1.233","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335899","18.799","0.004","5.9862","0.0012","15.585","0.003","90","","90","","90","","1753.9","0.6","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca6 Cd11 Pt -","- Ca6 Cd11 Pt -","- Ca24 Cd44 Pt4 -","4","0.5","","Fakhili Gulo; Saroj L. Samal; John D. Corbett","Substantial Cd-Cd Bonding in Ca6PtCd11: A Condensed Intermetallic Phase Built of Pentagonal Cd7 and Rectangular Cd4/2Pt Pyramids","Inorganic Chemistry","2013","52","","10112","10118","10.1021/ic401455c","","","0.71073","MoKα","","0.0351","0.0259","","","0.0497","0.0515","","","","","","0.988","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4336252","9.665","0.003","7.152","0.002","25.365","0.008","90","","90","","90","","1753.3","0.9","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As2 Bi Cs3 S8 -","- As2 Bi Cs3 S8 -","- As8 Bi4 Cs12 S32 -","4","0.5","","Tarun K. Bera; Ratnasabapathy G. Iyer; Christos D. Malliakas; Mercouri G. Kanatzidis","Crystalline and Glassy Phases in the Cs/Bi/As/S System","Inorganic Chemistry","2013","52","","11370","11376","10.1021/ic4016542","","","0.71073","MoKα","","0.0633","0.0342","","","0.0696","0.0784","","","","","","1.011","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336310","12.264","0.003","9.5567","0.0019","8.4274","0.0017","90","","90","","90","","987.7","0.4","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba3 Cl Ga S4 -","- Ba3 Cl Ga S4 -","- Ba12 Cl4 Ga4 S16 -","4","0.5","","Kai Feng; Wenlong Yin; Zuohong Lin; Jiyong Yao; Yicheng Wu","Five New Chalcohalides, Ba3GaS4X (X = Cl, Br), Ba3MSe4Cl (M = Ga, In), and Ba7In2Se6F8: Syntheses, Crystal Structures, and Optical Properties","Inorganic Chemistry","2013","52","","11503","11508","10.1021/ic401820a","","","0.71073","MoKα","","0.0257","0.0215","","","0.0383","0.0395","","","","","","1.16","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336311","12.3105","0.0004","9.4931","0.0004","8.4906","0.0004","90","","90","","90","","992.25","0.07","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba3 Br Ga S4 -","- Ba3 Br Ga S4 -","- Ba12 Br4 Ga4 S16 -","4","0.5","","Kai Feng; Wenlong Yin; Zuohong Lin; Jiyong Yao; Yicheng Wu","Five New Chalcohalides, Ba3GaS4X (X = Cl, Br), Ba3MSe4Cl (M = Ga, In), and Ba7In2Se6F8: Syntheses, Crystal Structures, and Optical Properties","Inorganic Chemistry","2013","52","","11503","11508","10.1021/ic401820a","","","0.71073","MoKα","","0.0496","0.0411","","","0.1047","0.113","","","","","","1.052","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336312","12.691","0.003","9.87","0.002","8.7161","0.0017","90","","90","","90","","1091.8","0.4","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba3 Cl Ga Se4 -","- Ba3 Cl Ga Se4 -","- Ba12 Cl4 Ga4 Se16 -","4","0.5","","Kai Feng; Wenlong Yin; Zuohong Lin; Jiyong Yao; Yicheng Wu","Five New Chalcohalides, Ba3GaS4X (X = Cl, Br), Ba3MSe4Cl (M = Ga, In), and Ba7In2Se6F8: Syntheses, Crystal Structures, and Optical Properties","Inorganic Chemistry","2013","52","","11503","11508","10.1021/ic401820a","","","0.71073","MoKα","","0.0377","0.0331","","","0.0734","0.0754","","","","","","1.196","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336390","5.3196","0.0012","7.5488","0.0013","5.3439","0.0011","90","","90","","90","","214.59","0.08","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Calcium Vanadium Oxide","","","- Ca O3 V -","- Ca O3 V -","- Ca4 O12 V4 -","4","0.5","","Sergey V. Ovsyannikov; Yury G. Zainulin; Nadezda I. Kadyrova; Alexander P. Tyutyunnik; Anna S. Semenova; Deepa Kasinathan; Alexander A. Tsirlin; Nobuyoshi Miyajima; Alexander E. Karkin","New Antiferromagnetic Perovskite CaCo3V4O12 Prepared at High-Pressure and High-Temperature Conditions","Inorganic Chemistry","2013","52","","11703","11710","10.1021/ic400649h","powder diffraction","x-ray","1.54056","CuK~a~1","","","","","","","","0.04105","","1.06","","","","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336496","17.665","0.011","14.579","0.009","15.112","0.009","90","","90","","90","","3892","4","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C35 H40 I3 N2 O Rh S2 -","- C37 H32 I3 N2 O Rh S2 -","- C148 H128 I12 N8 O4 Rh4 S8 -","4","0.5","","Shin-ichi Fuku-en; Junki Yamamoto; Mao Minoura; Satoshi Kojima; Yohsuke Yamamoto","Synthesis of New Dipyrido-Annulated N-Heterocyclic Carbenes with Ortho Substituents","Inorganic Chemistry","2013","52","","11700","11702","10.1021/ic402301u","","","0.71073","MoKα","","0.0821","0.0595","","","0.1301","0.1524","","","","","","1.099","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336524","13.571","0.0019","8.8115","0.0012","16.452","0.002","90","","90","","90","","1967.3","0.5","100","2","100","2","","","","","","","","8","P n m a","-P 2ac 2n","62","michael032b","michael032b","","- C12 H28 F6 Mn N4 O P S -","- C12 H28 F6 Mn N4 O P S -","- C48 H112 F24 Mn4 N16 O4 P4 S4 -","4","0.5","","Michael K. Coggins; Lisa M. Brines; Julie A. Kovacs","Synthesis and Structural Characterization of a Series of MnIIIOR Complexes, Including a Water-Soluble MnIIIOH That Promotes Aerobic Hydrogen-Atom Transfer","Inorganic Chemistry","2013","52","","12383","12393","10.1021/ic401234t","","","0.71073","MoKα","","0.0659","0.0494","","","0.1216","0.1339","","","","","","1.077","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336565","16.733","0.003","4.333","0.0009","7.358","0.0015","90","","90","","90","","533.49","0.18","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au2 Ga4 Na -","- Au2 Ga4 Na -","- Au8 Ga16 Na4 -","4","0.5","","Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Polyclusters and Substitution Effects in the Na-Au-Ga System: Remarkable Sodium Bonding Characteristics in Polar Intermetallics","Inorganic Chemistry","2013","52","","12502","12510","10.1021/ic401580y","","","0.71073","MoKα","","0.0901","0.0487","","","0.0761","0.0833","","","","","","1.055","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336578","20.8593","0.0008","13.1216","0.0005","8.1713","0.0003","90","","90","","90","","2236.55","0.15","173","2","173","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C20 H23 Cl Co F6 N2 O2 P -","- C20 H23 Cl Co F6 N2 O2 P -","- C80 H92 Cl4 Co4 F24 N8 O8 P4 -","4","0.5","","Yosra M. Badiei; Wan-Hui Wang; Jonathan F. Hull; David J. Szalda; James T. Muckerman; Yuichiro Himeda; Etsuko Fujita","Cp*Co(III) Catalysts with Proton-Responsive Ligands for Carbon Dioxide Hydrogenation in Aqueous Media","Inorganic Chemistry","2013","52","","12576","12586","10.1021/ic401707u","","","0.71073","MoKα","","0.0483","0.0371","","","0.0965","0.1032","","","","","","1.025","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336629","29.229","0.009","11.794","0.004","13.227","0.004","90","","90","","90","","4560","3","100","2","100","2","","","","","","","tetrahydrofuran, pentane","6","P n m a","-P 2ac 2n","62","","","","- C36 H36 F7 Mo N6 P -","- C36 H36 F7 Mo N6 P -","- C144 H144 F28 Mo4 N24 P4 -","4","0.5","","Mei Wang; Thomas Weyhermüller; Jason England; Karl Wieghardt","Molecular and Electronic Structures of Six-Coordinate ""Low-Valent"" [M(Mebpy)3]0 (M = Ti, V, Cr, Mo) and [M(tpy)2]0 (M = Ti, V, Cr), and Seven-Coordinate [MoF(Mebpy)3](PF6) and [MX(tpy)2](PF6) (M = Mo, X = Cl and M = W, X = F)","Inorganic Chemistry","2013","52","","12763","12776","10.1021/ic402037e","","","0.71073","MoKα","","0.1114","0.1017","","","0.2363","0.2419","","","","","","1.166","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336799","9.0339","0.0001","3.68751","0.00005","11.5385","0.0002","90","","90","","90","","384.377","0.009","","","298","","","","101","","","","","4","P n m a","-P 2ac 2n","62","","Manganese(II) chloride monohydrate","","- Cl2 H2 Mn O -","- Cl2 H2 Mn O -","- Cl8 H8 Mn4 O4 -","4","0.5","","S. Pagola; K. T. Trowell; K. C. Havas; Z. D. Reed; D. G. Chan; M. J. Van Dongen; G. C. DeFotis","Crystal Structures of Manganese and Cobalt Dichloride Monohydrate and Deuteration Effects on Magnetic Behavior","Inorganic Chemistry","2013","52","","13341","13350","10.1021/ic4013075","powder diffraction","","0.699204","synchrotron","","","","","","","","","","1.13","","","","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336800","8.8207","0.0003","3.5435","0.0001","11.2944","0.0004","90","","90","","90","","353.02","0.02","","","298","","","","101","","","","","4","P n m a","-P 2ac 2n","62","","Cobalt(II) chloride monohydrate","","- Cl2 Co H2 O -","- Cl2 Co H2 O -","- Cl8 Co4 H8 O4 -","4","0.5","","S. Pagola; K. T. Trowell; K. C. Havas; Z. D. Reed; D. G. Chan; M. J. Van Dongen; G. C. DeFotis","Crystal Structures of Manganese and Cobalt Dichloride Monohydrate and Deuteration Effects on Magnetic Behavior","Inorganic Chemistry","2013","52","","13341","13350","10.1021/ic4013075","powder diffraction","x-ray","0.699204","synchrotron","","","","","","","","","","1.11","","","","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336801","9.0345","0.0002","3.68721","0.00008","11.5356","0.0003","90","","90","","90","","384.275","0.016","","","298","","","","101","","","","","4","P n m a","-P 2ac 2n","62","","Manganese(II) chloride deuterated monohydrate","","- Cl2 D2 Mn O -","- Cl2 D2 Mn O -","- Cl8 D8 Mn4 O4 -","4","0.5","","S. Pagola; K. T. Trowell; K. C. Havas; Z. D. Reed; D. G. Chan; M. J. Van Dongen; G. C. DeFotis","Crystal Structures of Manganese and Cobalt Dichloride Monohydrate and Deuteration Effects on Magnetic Behavior","Inorganic Chemistry","2013","52","","13341","13350","10.1021/ic4013075","powder diffraction","x-ray","0.700095","synchrotron","","","","","","","","","","1.1","","","","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336802","8.8258","0.0002","3.5446","0.0001","11.2998","0.0004","90","","90","","90","","353.502","0.018","","","298","","","","101","","","","","4","P n m a","-P 2ac 2n","62","","Cobalt(II) chloride deuterated monohydrate","","- Cl2 Co D2 O -","- Cl2 Co D2 O -","- Cl8 Co4 D8 O4 -","4","0.5","","S. Pagola; K. T. Trowell; K. C. Havas; Z. D. Reed; D. G. Chan; M. J. Van Dongen; G. C. DeFotis","Crystal Structures of Manganese and Cobalt Dichloride Monohydrate and Deuteration Effects on Magnetic Behavior","Inorganic Chemistry","2013","52","","13341","13350","10.1021/ic4013075","powder diffraction","x-ray","0.700095","synchrotron","","","","","","","","","","1.17","","","","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336891","8.2622","0.0005","8.1084","0.0004","9.1513","0.0005","90","","90","","90","","613.08","0.06","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B2 Ge2 O8 Sr -","- B2 Ge2 O8 Sr -","- B8 Ge8 O32 Sr4 -","4","0.5","","Yu-Cheng Hao; Chun-Li Hu; Xiang Xu; Fang Kong; Jiang-Gao Mao","SrGe2B2O8 and Sr3Ge2B6O16: Novel Strontium Borogermanates with Three-Dimensional and Layered Anionic Architectures","Inorganic Chemistry","2013","52","","13644","13650","10.1021/ic402214p","","","0.71073","MoKα","","0.0223","0.0203","","","0.0465","0.0481","","","","","","1.114","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336908","17.9785","0.0011","13.9388","0.001","5.99","0.0004","90","","90","","90","","1501.09","0.17","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- As6 Ba Co2 H4 O14 -","- As6 Ba Co2 H4 O14 -","- As24 Ba4 Co8 H16 O56 -","4","0.5","","Rénald David; Houria Kabbour; Silviu Colis; Olivier Mentré","Slow Spin Dynamics between Ferromagnetic Chains in a Pure-Inorganic Framework","Inorganic Chemistry","2013","52","","13742","13750","10.1021/ic402336n","","","0.71073","MoKα","","0.0614","0.0485","","","0.0695","0.0707","","","","3.43","3.43","3.14","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4337022","16.5494","0.0003","11.6163","0.0002","10.5414","0.0002","90","","90","","90","","2026.51","0.06","293","2","293","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","","","","- C8 H13 Ba2 O23 Ta -","- C8 H13 Ba2 O23 Ta -","- C32 H52 Ba8 O92 Ta4 -","4","0.5","","Lidija Androš; Marijana Jurić; Jasminka Popović; Ana Šantić; Predrag Lazić; Metka Benčina; Matjaz Valant; Nevenka Brničević; Pavica Planinić","Ba4Ta2O9 Oxide Prepared from an Oxalate-Based Molecular Precursor-Characterization and Properties","Inorganic Chemistry","2013","52","","14299","14308","10.1021/ic402276e","","x-ray","0.71073","MoKα","","0.0317","0.0289","","","0.0654","0.066","","","","","","1.294","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337169","10.2617","0.0015","11.28","0.0016","18.027","0.003","90","","90","","90","","2086.7","0.5","193","2","193","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H38 B4 Ca N2 O3 -","- C10 H38 B4 Ca N2 O3 -","- C40 H152 B16 Ca4 N8 O12 -","4","0.5","","Dunbar, Andrew C.; Girolami, Gregory S.","Synthesis and characterization of calcium n,n-dimethylaminodiboranates as possible chemical vapor deposition precursors.","Inorganic chemistry","2014","53","2","888","896","10.1021/ic402237b","","","0.71073","MoKα","","0.1558","0.039","","","0.05","0.0644","","","","","","0.697","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337202","25.25","0.009","12.053","0.004","8.325","0.003","90","","90","","90","","2533.6","1.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H34 Cl N7 O7 Ru -","- C21 H29 Cl N7 O7 Ru -","- C84 H116 Cl4 N28 O28 Ru4 -","4","0.5","","Codesido, Nicolás Osa; Weyhermüller, Thomas; Olabe, José A; Slep, Leonardo D.","Nitrosyl-Centered Redox and Acid-Base Interconversions in [Ru(Me3[9]aneN3)(bpy)(NO)](3,2,1+). The pKa of HNO for its Nitroxyl Derivative in Aqueous Solution.","Inorganic chemistry","2014","53","2","981","997","10.1021/ic402448p","","","0.71073","MoKα","","0.0745","0.0688","","","0.1676","0.1706","","","","","","1.263","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4337499","24.442","0.005","4.1285","0.0008","19.721","0.004","90","","90","","90","","1990","0.7","300","2","300","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Manganese Lead Antimony Selenide (0.89/3.11/4/10)","","- Mn3.48 Pb12.52 Sb16 Se40 -","- Mn3.48 Pb12.52 Sb16 Se40 -","- Mn3.48 Pb12.52 Sb16 Se40 -","1","0.125","","Poudeu, Pierre F. P.; Djieutedjeu, Honore; Ranmohotti, Kulugammana G. S.; Makongo, Julien P. A. M.; Takas, Nathan","Geometrical spin frustration and ferromagnetic ordering in (MnxPb2-x)Pb2Sb4Se10.","Inorganic chemistry","2014","53","1","209","220","10.1021/ic402128c","","","0.71073","MoKα","","0.025","0.025","","","0.0617","0.0617","","","","","","1.183","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337500","24.385","0.005","4.1142","0.0008","19.605","0.004","90","","90","","90","","1966.9","0.7","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Manganese Lead Antimony Selenide (0.93/3.07/4/10)","","- Mn3.71 Pb12.29 Sb16 Se40 -","- Mn3.708 Pb12.292 Sb16 Se40 -","- Mn3.708 Pb12.292 Sb16 Se40 -","1","0.125","","Poudeu, Pierre F. P.; Djieutedjeu, Honore; Ranmohotti, Kulugammana G. S.; Makongo, Julien P. A. M.; Takas, Nathan","Geometrical spin frustration and ferromagnetic ordering in (MnxPb2-x)Pb2Sb4Se10.","Inorganic chemistry","2014","53","1","209","220","10.1021/ic402128c","","","0.71073","MoKα","","0.0373","0.0373","","","0.1109","0.1109","","","","","","1.811","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337501","24.4409","0.0019","4.1281","0.0003","19.698","0.0015","90","","90","","90","","1987.4","0.3","300","2","300","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Manganese Lead Antimony Selenide (0.92/3.08/4/10)","","- Mn3.66 Pb12.34 Sb16 Se40 -","- Mn3.664 Pb12.336 Sb16 Se40 -","- Mn3.664 Pb12.336 Sb16 Se40 -","1","0.125","","Poudeu, Pierre F. P.; Djieutedjeu, Honore; Ranmohotti, Kulugammana G. S.; Makongo, Julien P. A. M.; Takas, Nathan","Geometrical spin frustration and ferromagnetic ordering in (MnxPb2-x)Pb2Sb4Se10.","Inorganic chemistry","2014","53","1","209","220","10.1021/ic402128c","","","0.71073","MoKα","","0.0212","0.0212","","","0.0507","0.0507","","","","","","1.248","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337502","24.281","0.005","4.0894","0.0008","19.45","0.004","90","","90","","90","","1931.3","0.7","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Manganese Lead Antimony Selenide (1.19/2.81/4/10)","","- Mn4.76 Pb11.24 Sb16 Se40 -","- Mn4.76 Pb11.24 Sb16 Se40 -","- Mn4.76 Pb11.24 Sb16 Se40 -","1","0.125","","Poudeu, Pierre F. P.; Djieutedjeu, Honore; Ranmohotti, Kulugammana G. S.; Makongo, Julien P. A. M.; Takas, Nathan","Geometrical spin frustration and ferromagnetic ordering in (MnxPb2-x)Pb2Sb4Se10.","Inorganic chemistry","2014","53","1","209","220","10.1021/ic402128c","","","0.71073","MoKα","","0.0307","0.0307","","","0.0721","0.0721","","","","","","1.333","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337503","24.341","0.005","4.1069","0.0008","19.535","0.004","90","","90","","90","","1952.8","0.7","300","2","300","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Manganese Lead Antimony Selenide (1.22/2.78/4/10)","","- Mn4.86 Pb11.14 Sb16 Se40 -","- Mn4.864 Pb11.136 Sb16 Se40 -","- Mn4.864 Pb11.136 Sb16 Se40 -","1","0.125","","Poudeu, Pierre F. P.; Djieutedjeu, Honore; Ranmohotti, Kulugammana G. S.; Makongo, Julien P. A. M.; Takas, Nathan","Geometrical spin frustration and ferromagnetic ordering in (MnxPb2-x)Pb2Sb4Se10.","Inorganic chemistry","2014","53","1","209","220","10.1021/ic402128c","","","0.71073","MoKα","","0.0331","0.0331","","","0.0651","0.0651","","","","","","1.313","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337518","10.471","0.003","3.2059","0.001","4.6977","0.0014","90","","90","","90","","157.7","0.08","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F Fe H O -","- F Fe H O -","- F4 Fe4 H4 O4 -","4","0.5","","Ben Yahia, Hamdi; Shikano, Masahiro; Tabuchi, Mitsuharu; Kobayashi, Hironori; Avdeev, Maxim; Tan, Thiam Teck; Liu, Samuel; Ling, Chris D.","Synthesis and characterization of the crystal and magnetic structures and properties of the hydroxyfluorides Fe(OH)F and Co(OH)F.","Inorganic chemistry","2014","53","1","365","374","10.1021/ic402294g","","","0.71073","MoKα","","0.0211","0.0211","","","0.0519","0.0519","","","","1.14","1.14","1.14","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337575","17.227","0.0005","23.5944","0.0008","23.7271","0.0006","90","","90","","90","","9644.1","0.5","228","2","228","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C264 H156 N8 O71.33 Ru1.33 Zn12 -","- C264.12 H156.64 N8.16 O71.44 Ru1.36 Zn12 -","- C264.12 H156.64 N8.16 O71.44 Ru1.36 Zn12 -","1","0.125","","Whittington, Christi L.; Wojtas, Lukasz; Larsen, Randy W.","Ruthenium(II) tris(2,2'-bipyridine)-templated zinc(II) 1,3,5-tris(4-carboxyphenyl)benzene metal organic frameworks: structural characterization and photophysical properties.","Inorganic chemistry","2014","53","1","160","166","10.1021/ic402614w","","","1.54178","CuKα","","0.1181","0.0773","","","0.2142","0.2353","","","","","","1.045","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337695","17.195","0.003","25.155","0.005","9.9897","0.0018","90","","90","","90","","4320.9","1.4","30","2","30","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C34 H60 Cl2 F6 N12 O2 Os2 P -","- C34 H60 Cl2 F6 N12 O2 Os2 P -","- C136 H240 Cl8 F24 N48 O8 Os8 P4 -","4","0.5","","Cotton, F. Albert; Chiarella, Gina M.; Dalal, Naresh S.; Murillo, Carlos A.; Wang, Zhenxing; Young, Mark D.","Correction to Proof by EPR Spectroscopy that the Unpaired Electron in an Os2(7+) Species Is in a δ* Metal-based Molecular Orbital.","Inorganic chemistry","2014","53","6","3253","","10.1021/ic500117b","","","0.71073","MoKα","","0.063","0.0418","","","0.1039","0.1134","","","","","","1.395","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337826","7.1596","0.0004","4.09","0.0002","15.8309","0.0006","90","","90","","90","","463.57","0.04","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ce Ni0.14 Ru0.87 -","- Al Ce Ni0.135 Ru0.865 -","- Al8 Ce8 Ni1.08 Ru6.92 -","8","1","","Niehaus, Oliver; Rodewald, Ute Ch; Abdala, Paula M.; Touzani, Rachid St; Fokwa, Boniface P. T.; Janka, Oliver","Synthesis and Theoretical Investigations of the Solid Solution CeRu1-xNixAl (x = 0.1-0.95) Showing Cerium Valence Fluctuations.","Inorganic chemistry","2014","53","5","2471","2480","10.1021/ic402414f","","","0.71073","MoKα","","0.0223","0.0125","","","0.0158","0.0164","","","","","","0.793","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337827","7.1231","0.0004","4.1106","0.0002","15.7987","0.0008","90","","90","","90","","462.59","0.04","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ce Ni0.2 Ru0.8 -","- Al Ce Ni0.2005 Ru0.7995 -","- Al8 Ce8 Ni1.604 Ru6.396 -","8","1","","Niehaus, Oliver; Rodewald, Ute Ch; Abdala, Paula M.; Touzani, Rachid St; Fokwa, Boniface P. T.; Janka, Oliver","Synthesis and Theoretical Investigations of the Solid Solution CeRu1-xNixAl (x = 0.1-0.95) Showing Cerium Valence Fluctuations.","Inorganic chemistry","2014","53","5","2471","2480","10.1021/ic402414f","","","0.71073","MoKα","","0.0216","0.0134","","","0.017","0.0175","","","","","","0.806","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337828","7.0835","0.0003","4.1384","0.0002","15.7571","0.0008","90","","90","","90","","461.91","0.04","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ce Ni0.3 Ru0.7 -","- Al Ce Ni0.303 Ru0.697 -","- Al8 Ce8 Ni2.424 Ru5.576 -","8","1","","Niehaus, Oliver; Rodewald, Ute Ch; Abdala, Paula M.; Touzani, Rachid St; Fokwa, Boniface P. T.; Janka, Oliver","Synthesis and Theoretical Investigations of the Solid Solution CeRu1-xNixAl (x = 0.1-0.95) Showing Cerium Valence Fluctuations.","Inorganic chemistry","2014","53","5","2471","2480","10.1021/ic402414f","","","0.71073","MoKα","","0.0366","0.0265","","","0.0507","0.0521","","","","","","1.104","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337829","7.0452","0.0002","4.1719","0.0001","15.7158","0.0006","90","","90","","90","","461.92","0.02","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ce Ni0.49 Ru0.51 -","- Al Ce Ni0.487 Ru0.513 -","- Al8 Ce8 Ni3.896 Ru4.104 -","8","1","","Niehaus, Oliver; Rodewald, Ute Ch; Abdala, Paula M.; Touzani, Rachid St; Fokwa, Boniface P. T.; Janka, Oliver","Synthesis and Theoretical Investigations of the Solid Solution CeRu1-xNixAl (x = 0.1-0.95) Showing Cerium Valence Fluctuations.","Inorganic chemistry","2014","53","5","2471","2480","10.1021/ic402414f","","","0.71073","MoKα","","0.021","0.0168","","","0.036","0.0369","","","","","","1.161","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337830","7.0288","0.0002","4.1757","0.0001","15.7004","0.0004","90","","90","","90","","460.81","0.02","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ce Ni0.56 Ru0.44 -","- Al Ce Ni0.552 Ru0.448 -","- Al8 Ce8 Ni4.416 Ru3.584 -","8","1","","Niehaus, Oliver; Rodewald, Ute Ch; Abdala, Paula M.; Touzani, Rachid St; Fokwa, Boniface P. T.; Janka, Oliver","Synthesis and Theoretical Investigations of the Solid Solution CeRu1-xNixAl (x = 0.1-0.95) Showing Cerium Valence Fluctuations.","Inorganic chemistry","2014","53","5","2471","2480","10.1021/ic402414f","","","0.71073","MoKα","","0.0202","0.0188","","","0.0389","0.0394","","","","","","1.072","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337831","7.0174","0.0005","4.18","0.0002","15.6816","0.0008","90","","90","","90","","459.98","0.05","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ce Ni0.63 Ru0.38 -","- Al Ce Ni0.6265 Ru0.3735 -","- Al8 Ce8 Ni5.012 Ru2.988 -","8","1","","Niehaus, Oliver; Rodewald, Ute Ch; Abdala, Paula M.; Touzani, Rachid St; Fokwa, Boniface P. T.; Janka, Oliver","Synthesis and Theoretical Investigations of the Solid Solution CeRu1-xNixAl (x = 0.1-0.95) Showing Cerium Valence Fluctuations.","Inorganic chemistry","2014","53","5","2471","2480","10.1021/ic402414f","","","0.71073","MoKα","","0.0467","0.0236","","","0.034","0.0358","","","","","","0.853","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337832","7.0006","0.0005","4.1854","0.0002","15.6624","0.001","90","","90","","90","","458.91","0.05","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ce Ni0.8 Ru0.2 -","- Al Ce Ni0.795 Ru0.205 -","- Al8 Ce8 Ni6.36 Ru1.64 -","8","1","","Niehaus, Oliver; Rodewald, Ute Ch; Abdala, Paula M.; Touzani, Rachid St; Fokwa, Boniface P. T.; Janka, Oliver","Synthesis and Theoretical Investigations of the Solid Solution CeRu1-xNixAl (x = 0.1-0.95) Showing Cerium Valence Fluctuations.","Inorganic chemistry","2014","53","5","2471","2480","10.1021/ic402414f","","","0.71073","MoKα","","0.0486","0.0201","","","0.0201","0.0219","","","","","","0.658","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337833","6.9973","0.0003","4.1826","0.0002","15.6642","0.0007","90","","90","","90","","458.44","0.04","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ce Ni0.8 Ru0.2 -","- Al Ce Ni0.797 Ru0.203 -","- Al8 Ce8 Ni6.376 Ru1.624 -","8","1","","Niehaus, Oliver; Rodewald, Ute Ch; Abdala, Paula M.; Touzani, Rachid St; Fokwa, Boniface P. T.; Janka, Oliver","Synthesis and Theoretical Investigations of the Solid Solution CeRu1-xNixAl (x = 0.1-0.95) Showing Cerium Valence Fluctuations.","Inorganic chemistry","2014","53","5","2471","2480","10.1021/ic402414f","","","0.71073","MoKα","","0.021","0.0126","","","0.0188","0.0194","","","","","","0.887","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337863","11.5643","0.0008","12.4656","0.0012","8.824","0.0006","90","","90","","90","","1272.03","0.17","100","","100","","","","","","","","water","6","P n m a","-P 2ac 2n","62","","N,N'-3,7-diazabicyclo[3.3.1]nonane-dichloro-platinum(ii) trihydrate","","- C7 H20 Cl2 N2 O3 Pt -","- C7 H20 Cl2 N2 O3 Pt -","- C28 H80 Cl8 N8 O12 Pt4 -","4","0.5","","Cui, Huiling; Goddard, Richard; Pörschke, Klaus-Richard; Hamacher, Alexandra; Kassack, Matthias U.","Bispidine Analogues of Cisplatin, Carboplatin, and Oxaliplatin. Synthesis, Structures, and Cytotoxicity.","Inorganic chemistry","2014","53","7","3371","","10.1021/ic402737f","","","0.71073","MoKα","","0.0123","0.0116","","","0.0281","0.0284","","","","","","1.307","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337883","9.8641","0.0004","8.9636","0.0005","11.181","0.0005","90","","90","","90","","988.6","0.08","183","2","183","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H9 Fe N S -","- C11 H9 Fe N S -","- C44 H36 Fe4 N4 S4 -","4","0.5","","Hess, Jeannine; Konatschnig, Sandro; Morard, Sandra; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Gasser, Gilles","Novel, Mercury-Free Synthetic Pathway for Trifluoromethylthio-Substituted Metallocenes.","Inorganic chemistry","2014","53","7","3662","","10.1021/ic403169z","","","0.71073","MoKα","","0.0401","0.0322","","","0.0753","0.0817","","","","","","1.072","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337885","10.1795","0.0004","8.8273","0.0004","11.3535","0.0004","90","","90","","90","","1020.2","0.07","183","2","183","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H9 N Ru S -","- C11 H9 N Ru S -","- C44 H36 N4 Ru4 S4 -","4","0.5","","Hess, Jeannine; Konatschnig, Sandro; Morard, Sandra; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Gasser, Gilles","Novel, Mercury-Free Synthetic Pathway for Trifluoromethylthio-Substituted Metallocenes.","Inorganic chemistry","2014","53","7","3662","","10.1021/ic403169z","","","0.7107","MoKα","","0.0238","0.0198","","","0.0465","0.0485","","","","","","1.072","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337908","12.3683","0.0004","21.3523","0.0008","10.4652","0.0004","90","","90","","90","","2763.77","0.17","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(LDipp1-)AlCl2","","","- C28 H40 Al Cl2 N2 -","- C28 H40 Al Cl2 N2 -","- C112 H160 Al4 Cl8 N8 -","4","0.5","","Cole, Bren E.; Wolbach, Jeffrey P.; Dougherty, Jr, William G.; Piro, Nicholas A.; Kassel, W. Scott; Graves, Christopher R.","Synthesis and Characterization of Aluminum-α-diimine Complexes over Multiple Redox States.","Inorganic chemistry","2014","53","7","3899","","10.1021/ic5003989","","","0.71073","MoKα","","0.0566","0.0387","","","0.0999","0.1108","","","","","","1.025","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4338118","12.19","0.002","8.6768","0.0017","8.3708","0.0017","90","","90","","90","","885.4","0.3","293","2","293","2","","","","","","","synthesis as described","3","P n m a","-P 2ac 2n","62","","Barium Mercuric sulfide","","- Ba2 Hg S5 -","- Ba2 Hg S5 -","- Ba8 Hg4 S20 -","4","0.5","","Islam, Saiful M.; Im, Jino; Freeman, Arthur J.; Kanatzidis, Mercouri G.","Ba2HgS5-A Molecular Trisulfide Salt with Dumbbell-like (HgS2)(2-) Ions.","Inorganic chemistry","2014","53","9","4698","4704","10.1021/ic500388s","","x-ray","0.71073","MoKα","","0.032","0.0202","","","0.0266","0.0281","","","","","","0.88","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338126","5.5676","0.0014","10.692","0.003","11.859","0.003","90","","90","","90","","706","0.3","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Co H4 O8 V2 -","- Co H4 O8 V2 -","- Co4 H16 O32 V8 -","4","0.5","","Li, Shaobin; Sun, Wenlong; Wang, Kun; Ma, Huiyuan; Pang, Haijun; Liu, Heng; Zhang, Jianxin","Turn Helical Motifs from Pair to Single Entangled Double Helixes in a Cobalt-Vanadate System via Introduction of a V-Shaped Ligand.","Inorganic chemistry","2014","53","9","4541","4547","10.1021/ic500224m","","","0.71073","MoKα","","0.0266","0.025","","","0.0661","0.0673","","","","","","0.959","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338152","23.1481","0.0004","4.4736","0.0001","11.0128","0.0002","90","","90","","90","","1140.43","0.04","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag1.05 Ca5 Ge5 Mg0.95 -","- Ag1.05 Ca5 Ge5 Mg0.95 -","- Ag4.2 Ca20 Ge20 Mg3.8 -","4","0.5","","Ponou, Siméon; Lidin, Sven; Zhang, Yuemei; Miller, Gordon J.","Valence State Driven Site Preference in the Quaternary Compound Ca5MgAgGe5: An Electron-Deficient Phase with Optimized Bonding.","Inorganic chemistry","2014","53","9","4724","4732","10.1021/ic500449d","","","0.71073","MoKα","","0.0586","0.0368","","","0.0701","0.0734","","","","","","1.091","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338193","13.3838","0.0002","5.7027","0.0001","8.6759","0.0002","90","","90","","90","","662.18","0.02","298","0.2","298","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- K O6 Se2 Y -","- K O6 Se2 Y -","- K4 O24 Se8 Y4 -","4","0.5","","Bang, Seong-Eun; Lee, Dong Woo; Ok, Kang Min","Variable Framework Structures and Centricities in Alkali Metal Yttrium Selenites, AY(SeO3)2 (A = Na, K, Rb, and Cs).","Inorganic chemistry","2014","53","9","4756","4762","10.1021/ic500548v","","","0.71073","MoKα","","0.0544","0.0294","","","0.0461","0.0496","","","","","","0.892","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338194","13.7594","0.0005","5.7457","0.0002","8.7692","0.0003","90","","90","","90","","693.27","0.04","298","0.2","298","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- O6 Rb Se2 Y -","- O6 Rb Se2 Y -","- O24 Rb4 Se8 Y4 -","4","0.5","","Bang, Seong-Eun; Lee, Dong Woo; Ok, Kang Min","Variable Framework Structures and Centricities in Alkali Metal Yttrium Selenites, AY(SeO3)2 (A = Na, K, Rb, and Cs).","Inorganic chemistry","2014","53","9","4756","4762","10.1021/ic500548v","","","0.71073","MoKα","","0.0399","0.0245","","","0.0498","0.0531","","","","","","0.931","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338396","11.8952","0.0009","12.1727","0.0009","17.5867","0.0013","90","","90","","90","","2546.5","0.3","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","11238a","","","- C28 H35 N3 O -","- C28 H35 N3 O -","- C112 H140 N12 O4 -","4","0.5","","Boyce, David W.; Salmon, Debra J.; Tolman, William B.","Linkage Isomerism in Transition-Metal Complexes of Mixed (Arylcarboxamido)(arylimino)pyridine Ligands.","Inorganic chemistry","2014","53","11","5788","5796","10.1021/ic500638z","","","0.71073","MoKα","","0.0931","0.0544","","","0.149","0.1754","","","","","","1.022","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338512","8.6923","0.0006","11.4542","0.0008","7.0132","0.0005","90","","90","","90","","698.26","0.08","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F9 K U2 -","- F9 K U2 -","- F36 K4 U8 -","4","0.5","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Mild Hydrothermal Crystal Growth, Structure, and Magnetic Properties of Ternary U(IV) Containing Fluorides: LiUF5, KU2F9, K7U6F31, RbUF5, RbU2F9, and RbU3F13.","Inorganic chemistry","2014","53","12","6289","6298","10.1021/ic5008507","","","0.71073","MoKα","","0.0287","0.0251","","","0.0623","0.0638","","","","","","1.155","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338515","8.733","0.0008","11.6754","0.001","7.0304","0.0006","90","","90","","90","","716.83","0.11","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F9 Rb U2 -","- F9 Rb U2 -","- F36 Rb4 U8 -","4","0.5","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Mild Hydrothermal Crystal Growth, Structure, and Magnetic Properties of Ternary U(IV) Containing Fluorides: LiUF5, KU2F9, K7U6F31, RbUF5, RbU2F9, and RbU3F13.","Inorganic chemistry","2014","53","12","6289","6298","10.1021/ic5008507","","","0.71073","MoKα","","0.0351","0.0301","","","0.0725","0.0743","","","","","","1.146","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338645","11.4328","0.0014","8.4435","0.0008","5.418","0.0007","90","","90","","90","","523.01","0.11","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H6 Mg2 Na2 Ni -","- H6 Mg2 Na2 Ni -","- H24 Mg8 Na8 Ni4 -","4","0.5","","Orlova, Maria; Rapin, Jean-Philippe; Yvon, Klaus","Crystal Structure of Na~2~Mg~2~NiH~6~ Revisited","Inorganic Chemistry","2009","48","12","5052","5054","10.1021/ic802417a","powder diffraction","","1.494","Neutron","","","","","","","","","6.8546","","","","","","","","has coordinates","210079","2020-10-21","18:00:00",""
"4338679","26.3627","0.0035","3.8699","0.0005","11.3299","0.0012","90","","90","","90","","1155.9","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","calcium iron palladium arsenide","","- As6 Ca3 Fe7.038 Pd1.962 -","- As6 Ca3 Fe7.038 Pd1.962 -","- As24 Ca12 Fe28.152 Pd7.848 -","4","0.5","","Stürzer, Tobias; Hieke, Christine; Löhnert, Catrin; Nitsche, Fabian; Stahl, Juliane; Maak, Christian; Pobel, Roman; Johrendt, Dirk","Framework structures of interconnected layers in calcium iron arsenides.","Inorganic chemistry","2014","53","12","6235","6240","10.1021/ic5007567","","","0.71073","MoKα","","0.0678","0.0382","","","0.0822","0.0846","","","","2.28","2.28","1.69","","","","has coordinates","287929","2023-12-01","12:10:09",""
"4338680","19.8555","0.0033","3.9461","0.0005","15.3433","0.002","90","","90","","90","","1202.2","0.3","293","2","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","calcium iron palladium arsenide","","- As6 Ca3 Fe4.741 Pd4.259 -","- As6 Ca3 Fe4.742 Pd4.258 -","- As24 Ca12 Fe18.968 Pd17.032 -","4","0.5","","Stürzer, Tobias; Hieke, Christine; Löhnert, Catrin; Nitsche, Fabian; Stahl, Juliane; Maak, Christian; Pobel, Roman; Johrendt, Dirk","Framework structures of interconnected layers in calcium iron arsenides.","Inorganic chemistry","2014","53","12","6235","6240","10.1021/ic5007567","","","0.71069","MoKα","","0.0658","0.0225","","","0.0439","0.0487","","","","1.01","1.01","0.76","","","","has coordinates","287929","2023-12-01","12:10:10",""
"4338682","26.435","0.003","3.9177","0.001","11.345","0.002","90","","90","","90","","1174.9","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","3816","calcium iron platinum arsenide","","- As6 Ca3 Fe6.75 Pt2.25 -","- As6 Ca3 Fe6.71 Pt2.2803 -","- As24 Ca12 Fe26.84 Pt9.1212 -","4","0.5","","Stürzer, Tobias; Hieke, Christine; Löhnert, Catrin; Nitsche, Fabian; Stahl, Juliane; Maak, Christian; Pobel, Roman; Johrendt, Dirk","Framework structures of interconnected layers in calcium iron arsenides.","Inorganic chemistry","2014","53","12","6235","6240","10.1021/ic5007567","","","0.71069","MoKα","","0.1374","0.0507","","","0.1027","0.1131","","","","","","1.037","","","","has coordinates","287929","2023-12-01","12:10:10",""
"4338737","15.18","0.0012","17.2648","0.001","14.431","0.0013","90","","90","","90","","3782.1","0.5","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H36 N2 O10 Ru2 -","- C34 H36 N2 O10 Ru2 -","- C136 H144 N8 O40 Ru8 -","4","0.5","","Mandal, Abhishek; Agarwala, Hemlata; Ray, Ritwika; Plebst, Sebastian; Mobin, Shaikh M.; Priego, José Luis; Jiménez-Aparicio, Reyes; Kaim, Wolfgang; Lahiri, Goutam Kumar","Sensitivity of the valence structure in diruthenium complexes as a function of terminal and bridging ligands.","Inorganic chemistry","2014","53","12","6082","6093","10.1021/ic500452h","","","0.71073","MoKα","","0.1278","0.1048","","","0.2274","0.2424","","","","","","1.083","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338801","19.2725","0.0005","18.0881","0.0005","13.6614","0.0003","90","","90","","90","","4762.4","0.2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C43 H63 Cl5 Ir2 Si Zr -","- C43 H63 Cl5 Ir2 Si Zr -","- C172 H252 Cl20 Ir8 Si4 Zr4 -","4","0.5","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.037","0.027","","","0.0582","0.0617","","","","","","1.043","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4339072","18.833","0.004","8.9106","0.0018","11.965","0.002","90","","90","","90","","2007.9","0.7","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C40 H72 F24 N12 O32 P4 S8 -","- C40 H72 F24 N12 O32 P4 S8 -","- C40 H72 F24 N12 O32 P4 S8 -","1","0.125","","Mena-Cruz, Adrian; Lorenzo-Luis, Pablo; Romerosa, Antonio; Saoud, Mustapha; Serrano-Ruiz, Manuel","Synthesis of the water soluble ligands dmPTA and dmoPTA and the complex [RuClCp(HdmoPTA)(PPh(3))](OSO(2)CF(3)) (dmPTA = N,N'-Dimethyl-1,3,5-triaza-7-phosphaadamantane, dmoPTA = 3,7-Dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane, HdmoPTA = 3,7-H-3,7-Dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane).","Inorganic chemistry","2007","46","15","6120","6128","10.1021/ic070168m","","","0.71073","MoKα","","0.0864","0.0604","","","0.1537","0.1809","","","","","","1.248","","","","has coordinates","179493","2020-10-21","18:00:00",""
"4339428","14.008","0.0009","14.5023","0.0009","7.4663","0.0005","90","","90","","90","","1516.77","0.17","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H15 Cl3 Fe N3 -","- C13 H15 Cl3 Fe N3 -","- C52 H60 Cl12 Fe4 N12 -","4","0.5","","Visvaganesan, Kusalendiran; Mayilmurugan, Ramasamy; Suresh, Eringathodi; Palaniandavar, Mallayan","Iron(III) complexes of tridentate 3N ligands as functional models for catechol dioxygenases: the role of ligand N-alkyl substitution and solvent on reaction rate and product selectivity.","Inorganic chemistry","2007","46","24","10294","10306","10.1021/ic700822y","","","0.71073","MoKα","","0.0223","0.0215","","","0.0582","0.0587","","","","","","1.088","","","","has coordinates","179497","2020-10-21","18:00:00",""
"4339567","7.836","0.0006","25.4564","0.0019","5.7985","0.0004","90","","90","","90","","1156.66","0.15","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H9 In O6 -","- C12 H9 In O6 -","- C48 H36 In4 O24 -","4","0.5","","Vougo-Zanda, Marie; Wang, Xiqu; Jacobson, Allan J.","Influence of ligand geometry on the formation of In-O chains in metal-oxide organic frameworks (MOOFs).","Inorganic chemistry","2007","46","21","8819","8824","10.1021/ic701126t","","","0.71073","MoKα","","0.029","0.0273","","","0.0667","0.0675","","","","","","1.207","","","","has coordinates","179498","2020-10-21","18:00:00",""
"4339638","13.038","0.003","22.936","0.003","8.095","0.002","90","","90","","90","","2420.7","0.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H36 N O2 P -","- C25 H36 N O2 P -","- C100 H144 N4 O8 P4 -","4","0.5","","Chakravarty, Manab; Suresh, R. Rama; Swamy, K. C. Kumara","Molecularly nonstoichiometric crystals in phosphorus compounds.","Inorganic chemistry","2007","46","23","9819","9826","10.1021/ic701173x","","","0.71073","MoKα","","0.0598","0.0485","","","0.1379","0.1459","","","","","","1.007","","","","has coordinates,has disorder","179499","2020-10-21","18:00:00",""
"4339640","13.443","0.003","23.013","0.003","7.885","0.002","90","","90","","90","","2439.3","0.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H36 N O3 P -","- C25 H36 N O3 P -","- C100 H144 N4 O12 P4 -","4","0.5","","Chakravarty, Manab; Suresh, R. Rama; Swamy, K. C. Kumara","Molecularly nonstoichiometric crystals in phosphorus compounds.","Inorganic chemistry","2007","46","23","9819","9826","10.1021/ic701173x","","","0.71073","MoKα","","0.0754","0.0639","","","0.1735","0.1843","","","","","","1.047","","","","has coordinates,has disorder","179499","2020-10-21","18:00:00",""
"4339641","13.4052","0.0009","23.054","0.0016","7.9639","0.0006","90","","90","","90","","2461.2","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H36 N O2.7 P -","- C25 H36 N O2.7 P -","- C100 H144 N4 O10.8 P4 -","4","0.5","","Chakravarty, Manab; Suresh, R. Rama; Swamy, K. C. Kumara","Molecularly nonstoichiometric crystals in phosphorus compounds.","Inorganic chemistry","2007","46","23","9819","9826","10.1021/ic701173x","","","0.71073","MoKα","","0.0866","0.0653","","","0.1559","0.1673","","","","","","1.078","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4339806","30.409","0.003","15.5193","0.0015","15.8201","0.0015","90","","90","","90","","7465.9","1.3","168","2","168","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C71 H106 N18 O U3 -","- C71 H90 N18 O U3 -","- C284 H360 N72 O4 U12 -","4","0.5","","Evans, William J.; Miller, Kevin A.; Ziller, Joseph W.; Greaves, John","Analysis of uranium azide and nitride complexes by atmospheric pressure chemical ionization mass spectrometry.","Inorganic chemistry","2007","46","19","8008","8018","10.1021/ic7006099","","","0.71073","MoKα","","0.0718","0.0418","","","0.0879","0.1053","","","","","","1.063","","","","has coordinates","179501","2020-10-21","18:00:00",""
"4339906","14.688","0.003","22.978","0.004","10.4931","0.0018","90","","90","","90","","3541.4","1.1","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Dibromobis(1,2-bis(dimethylphosphino)benzene)gallium(III) tetrabromogallate(III) dichloromethane solvate","","- C21 H34 Br6 Cl2 Ga2 P4 -","- C21 H34 Br6 Cl2 Ga2 P4 -","- C84 H136 Br24 Cl8 Ga8 P16 -","4","0.5","","Cheng, Fei; Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Preparation, characterization, and structural systematics of diphosphane and diarsane complexes of gallium(III) halides.","Inorganic chemistry","2007","46","17","7215","7223","10.1021/ic700895r","","","0.71073","MoKα","","0.0506","0.0407","","","0.0934","0.0984","","","","","","1.07","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339907","15.223","0.002","23.406","0.004","11.0027","0.001","90","","90","","90","","3920.4","0.9","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Diiodobis(1,2-bis(dimethylphosphino)benzene)gallium(III) tetraiodogallate(III) dichloromethane solvate","","- C20.4 H32.8 Cl0.8 Ga2 I6 P4 -","- C20.4 H32.8 Cl0.8 Ga2 I6 P4 -","- C81.6 H131.2 Cl3.2 Ga8 I24 P16 -","4","0.5","","Cheng, Fei; Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Preparation, characterization, and structural systematics of diphosphane and diarsane complexes of gallium(III) halides.","Inorganic chemistry","2007","46","17","7215","7223","10.1021/ic700895r","","","0.71073","MoKα","","0.071","0.0496","","","0.1143","0.1239","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339912","15.935","0.004","11.374","0.002","14.319","0.003","90","","90","","90","","2595.2","1","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Di-iodo(1,2-bis(dimethylarsino)benzene)gallium(III) tetraiodogallate(III)","","- C10 H16 As2 Ga2 I6 -","- C10 H16 As2 Ga2 I6 -","- C40 H64 As8 Ga8 I24 -","4","0.5","","Cheng, Fei; Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Preparation, characterization, and structural systematics of diphosphane and diarsane complexes of gallium(III) halides.","Inorganic chemistry","2007","46","17","7215","7223","10.1021/ic700895r","","","0.71073","MoKα","","0.1006","0.073","","","0.1361","0.1499","","","","","","1.14","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339984","15.0204","0.0009","5.407","0.002","20.52","0.003","90","","90","","90","","1666.5","0.7","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi6.267 Cu1.6 O20 S3 -","- Bi6.267 Cu1.6 O20 S3 -","- Bi25.068 Cu6.4 O80 S12 -","4","0.5","","Lü, Minfeng; Colmont, Marie; Kabbour, Houria; Colis, Silviu; Mentré, Olivier","Revised bi/m layered oxo-sulfate (m = co, cu): a structural and magnetic study.","Inorganic chemistry","2014","53","13","6969","6978","10.1021/ic500877z","","","0.71073","MoKα","","0.0513","0.0407","","","0.0398","0.0472","","","","1.47","1.47","1.59","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340219","12.488","0.0004","11.0202","0.0003","15.0237","0.0005","90","","90","","90","","2067.57","0.11","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H31 F7 Fe N4 O2 P -","- C15 H31 F7 Fe N4 O2 P -","- C60 H124 F28 Fe4 N16 O8 P4 -","4","0.5","","Berry, John F.; Bill, Eckhard; García-Serres, Ricardo; Neese, Frank; Weyhermüller, Thomas; Wieghardt, Karl","Effect of N-methylation of macrocyclic amine ligands on the spin state of iron(III): a tale of two fluoro complexes.","Inorganic chemistry","2006","45","5","2027","2037","10.1021/ic051823y","","","0.71073","MoKα","","0.0669","0.0453","","","0.0793","0.0864","","","","","","1.075","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340390","25.6133","0.0013","11.2328","0.0009","15.2303","0.0008","90","","90","","90","","4381.9","0.5","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C38 H58 B2 Cl2 Mn2 N8 O3 -","- C38 H58 B2 Cl2 Mn2 N8 O3 -","- C152 H232 B8 Cl8 Mn8 N32 O12 -","4","0.5","","Bieller, Susanne; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A chloro-bridged dimanganese complex and an oxo-bridged dititanium complex of a ditopic bis(pyrazol-1-yl)borate ligand.","Inorganic chemistry","2005","44","25","9489","9496","10.1021/ic051689h","","","0.71073","MoKα","","0.1459","0.0972","","","0.1545","0.1706","","","","","","1.16","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340405","17.7014","0.0015","11.359","0.0011","5.323","0.0004","90","","90","","90","","1070.3","0.16","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Mo Nd2 O12 Te3 -","- Mo Nd2 O12 Te3 -","- Mo4 Nd8 O48 Te12 -","4","0.5","","Shen, Yue-Ling; Jiang, Hai-Long; Xu, Jian; Mao, Jiang-Gao; Cheah, Kok Wai","Luminescent lanthanide selenites and tellurites decorated by MoO4 tetrahedra or MoO6 octahedra: Nd2MoSe2O10, Gd2MoSe3O12, La2MoTe3O12, and Nd2MoTe3O12.","Inorganic chemistry","2005","44","25","9314","9321","10.1021/ic051376m","","","0.71073","MoKα","","0.038","0.0325","","","0.0648","0.0667","","","","","","1.184","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340408","7.315","0.006","11.711","0.009","13.602","0.011","90","","90","","90","","1165.2","1.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- La2 Mo O12 Te3 -","- La2 Mo O12 Te3 -","- La8 Mo4 O48 Te12 -","4","0.5","","Shen, Yue-Ling; Jiang, Hai-Long; Xu, Jian; Mao, Jiang-Gao; Cheah, Kok Wai","Luminescent lanthanide selenites and tellurites decorated by MoO4 tetrahedra or MoO6 octahedra: Nd2MoSe2O10, Gd2MoSe3O12, La2MoTe3O12, and Nd2MoTe3O12.","Inorganic chemistry","2005","44","25","9314","9321","10.1021/ic051376m","","","0.71073","MoKα","","0.0528","0.0479","","","0.0622","0.0633","","","","","","1.395","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340571","12.9033","0.0001","10.8595","0.0001","10.6321","0.0001","90","","90","","90","","1489.81","0.02","130","2","130","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H22 B Fe P -","- C14 H22 B Fe P -","- C56 H88 B4 Fe4 P4 -","4","0.5","","Pandey, Souvik; Lönnecke, Peter; Hey-Hawkins, Evamarie","Cross-dehydrocoupling: A Novel Synthetic Route to P-B-P-B Chains.","Inorganic chemistry","2014","53","16","8242","8249","10.1021/ic500316w","","","0.71073","MoKα","","0.0441","0.0424","","","0.1085","0.1097","","","","","","1.06","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340609","5.2708","0.0004","7.4467","0.001","5.2725","0.0012","90","","90","","90","","206.95","0.06","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi Mn O3 -","- Bi Mn O3 -","- Bi4 Mn4 O12 -","4","0.5","","Calestani, Gianluca; Orlandi, Fabio; Mezzadri, Francesco; Righi, Lara; Merlini, Marco; Gilioli, Edmondo","Structural Evolution under Pressure of BiMnO3.","Inorganic chemistry","2014","53","16","8749","8754","10.1021/ic5013878","","","0.41456","synchrotron","","0.046","0.0398","","","0.0895","0.0914","","","","","","3.39","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340612","5.4987","0.0002","7.5692","0.0007","5.44","0.0008","90","","90","","90","","226.42","0.04","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi Mn O3 -","- Bi Mn O3 -","- Bi4 Mn4 O12 -","4","0.5","","Calestani, Gianluca; Orlandi, Fabio; Mezzadri, Francesco; Righi, Lara; Merlini, Marco; Gilioli, Edmondo","Structural Evolution under Pressure of BiMnO3.","Inorganic chemistry","2014","53","16","8749","8754","10.1021/ic5013878","","","0.41456","synchrotron","","0.0315","0.0282","","","0.0693","0.0699","","","","","","2.6","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340695","8.9332","0.0005","21.4229","0.0012","16.8751","0.0009","90","","90","","90","","3229.5","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","jb3_4","jb3_4","","- C27 H51 Co K N4 O9 -","- C27 H51 Co K N4 O9 -","- C108 H204 Co4 K4 N16 O36 -","4","0.5","","Blacquiere, Johanna M.; Pegis, Michael L.; Raugei, Simone; Kaminsky, Werner; Forget, Amélie; Cook, Sarah A.; Taguchi, Taketo; Mayer, James M.","Synthesis and reactivity of tripodal complexes containing pendant bases.","Inorganic chemistry","2014","53","17","9242","9253","10.1021/ic5013389","","","0.71073","MoKα","","0.0471","0.0324","","","0.071","0.0782","","","","","","1.065","","","","has coordinates,has disorder","179509","2020-10-21","18:00:00",""
"4340836","14.1077","0.0003","14.3299","0.0003","20.8582","0.0005","90","","90","","90","","4216.73","0.16","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","(1,3-bis(2,6-di-iso-propylphenyl)-4,5-dihydroimidazol-2-ylidene) (1,10-phenanthroline) copper hexafluorophosphate","","- C37 H46 Cu F6 N4 P -","- C37 H46 Cu F6 N4 P -","- C148 H184 Cu4 F24 N16 P4 -","4","0.5","","Marion, Ronan; Sguerra, Fabien; Di Meo, Florent; Sauvageot, Elodie; Lohier, Jean-François; Daniellou, Richard; Renaud, Jean-Luc; Linares, Mathieu; Hamel, Matthieu; Gaillard, Sylvain","NHC Copper(I) Complexes Bearing Dipyridylamine Ligands: Synthesis, Structural, and Photoluminescent Studies.","Inorganic chemistry","2014","53","17","9181","9191","10.1021/ic501230m","","","0.71073","MoKα","","0.0524","0.0439","","","0.132","0.137","","","","","","1.062","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340882","22.1643","0.0016","15.6695","0.0012","10.7813","0.0008","90","","90","","90","","3744.4","0.5","110","2","110","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C26 H48 N4 O7 S2 V W -","- C26 H48 N4 O7 S2 V W -","- C104 H192 N16 O28 S8 V4 W4 -","4","0.5","","Pinder, Tiffany A.; Montalvo, Steven K.; Hsieh, Chung-Hung; Lunsford, Allen M.; Bethel, Ryan D.; Pierce, Brad S.; Darensbourg, Marcetta Y.","Metallodithiolates as ligands to dinitrosyl iron complexes: toward the understanding of structures, equilibria, and spin coupling.","Inorganic chemistry","2014","53","17","9095","9105","10.1021/ic501117f","","","0.71073","MoKα","","0.0459","0.0319","","","0.0694","0.0723","","","","","","1.012","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340990","9.6126","0.0002","6.6382","0.0002","26.559","0.0006","90","","90","","90","","1694.74","0.07","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dipyrido[3,2-a:2'3'-c]phenazine chloroform solvate","","- C19 H11 Cl3 N4 -","- C19 H11 Cl3 N4 -","- C76 H44 Cl12 N16 -","4","0.5","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","1.54184","CuKα","","0.0487","0.0472","","","0.134","0.1365","","","","","","1.073","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4341022","8.4402","0.0002","8.3987","0.0002","23.0134","0.0006","90","","90","","90","","1631.34","0.07","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cl11 O P U2 -","- Cl11 O P U2 -","- Cl44 O4 P4 U8 -","4","0.5","","Ward, Matthew D.; Chan, Ian Y.; Lebègue, Sébastien; Ibers, James A.","The synthesis and characterization of four new uranium(IV) chlorophosphates: UCl₄(POCl₃), [U₂Cl₉][PCl₄], UCl₃(PO₂Cl₂), and U₂Cl₈(POCl₃).","Inorganic chemistry","2014","53","18","9969","9975","10.1021/ic501781h","","","0.71073","MoKα","","0.0631","0.0416","","","0.0814","0.0846","","","","","","1.691","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341160","12.769","0.008","9.611","0.006","8.39","0.005","90","","90","","90","","1029.6","1.1","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- B6 Br Na2 O10 Rb -","- B6 Br Na2 O10 Rb -","- B24 Br4 Na8 O40 Rb4 -","4","0.5","","Bai, Chunyan; Yu, Hongwei; Han, Shujuan; Pan, Shilie; Zhang, Bingbing; Wang, Ying; Wu, Hongping; Yang, Zhihua","Effect of halogen (cl, br) on the symmetry of flexible perovskite-related framework.","Inorganic chemistry","2014","53","20","11213","11220","10.1021/ic501814q","","","0.71073","MoKα","","0.0778","0.0478","","","0.1143","0.1282","","","","","","1.107","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341219","9.509","0.003","5.849","0.002","7.453","0.003","90","","90","","90","","414.5","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C2 H4 N2 O3 -","- C2 H4 N2 O3 -","- C8 H16 N8 O12 -","4","0.5","","Bohle, D. Scott; Chua, Zhijie","Activation of nitrogen brønsted acids: synthesis and reactivity of a new class of nitrogen Acid complexes.","Inorganic chemistry","2014","53","20","11160","11172","10.1021/ic5017033","","","0.71073","MoKα","","0.0347","0.0334","","","0.088","0.0894","","","","","","1.118","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341240","20.2877","0.001","23.6297","0.0012","11.5533","0.0006","90","","90","","90","","5538.6","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C40 H80 O16 Ti4 -","- C40 H80 O16 Ti4 -","- C160 H320 O64 Ti16 -","4","0.5","","Radtke, Aleksandra; Piszczek, Piotr; Muzioł, Tadeusz; Wojtczak, Andrzej","The Structural Conversion of Multinuclear Titanium(IV) μ-Oxo-complexes","Inorganic Chemistry","2014","","","141006083028009","","10.1021/ic5002545","","x-ray","0.71073","MoKα","","0.0808","0.0554","","","0.143","0.1684","","","","","","1.022","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341242","18.2573","0.0004","16.2919","0.0005","20.8348","0.0005","90","","90","","90","","6197.2","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C43.5 H84 O16 Ti4 -","- C43.5 H83.5 O16 Ti4 -","- C174 H334 O64 Ti16 -","4","0.5","","Radtke, Aleksandra; Piszczek, Piotr; Muzioł, Tadeusz; Wojtczak, Andrzej","The Structural Conversion of Multinuclear Titanium(IV) μ-Oxo-complexes","Inorganic Chemistry","2014","","","141006083028009","","10.1021/ic5002545","","x-ray","0.71073","MoKα","","0.0815","0.0532","","","0.1651","0.1903","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341255","13.3038","0.0002","5.8336","0.001","8.251","0.001","90","","90","","90","","640.35","0.13","298","0.2","298","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- In K O6 Te2 -","- In K O6 Te2 -","- In4 K4 O24 Te8 -","4","0.5","","Bae, Su-Whan; Kim, Choong-Yeol; Lee, Dong Woo; Ok, Kang Min","Cooperative Effects of Cation Size and Variable Coordination Modes of Te(4+) on the Frameworks of New Alkali Metal Indium Tellurites, NaIn(TeO3)2, KIn(TeO3)2, RbInTe3O8, and CsInTe3O8.","Inorganic chemistry","2014","53","20","11328","11334","10.1021/ic502108a","","","0.71073","MoKα","","0.0191","0.0169","","","0.0426","0.0433","","","","","","1.1","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341266","22.5768","0.0006","9.8962","0.0003","23.762","0.0006","90","","90","","90","","5309","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H43 Hf6 N7 O54.5 S10.5 -","- Hf6 N7 O54.5 S10.5 -","- Hf24 N28 O218 S42 -","4","0.5","","Kalaji, Ali; Soderholm, L.","Aqueous hafnium sulfate chemistry: structures of crystalline precipitates.","Inorganic chemistry","2014","53","20","11252","11260","10.1021/ic501841e","","","0.71073","MoKα","","0.0512","0.0488","","","0.1017","0.1025","","","","","","1.261","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341313","11.8901","0.0009","13.0806","0.001","9.4327","0.0008","90","","90","","90","","1467.1","0.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H19 Br3 Fe N O -","- C9 H19 Br3 Fe N O -","- C36 H76 Br12 Fe4 N4 O4 -","4","0.5","","Nguyen, Thuy-Ai D; Wright, Ashley M.; Page, Joshua S.; Wu, Guang; Hayton, Trevor W.","Oxidation of Alcohols and Activated Alkanes with Lewis Acid-Activated TEMPO.","Inorganic chemistry","2014","53","21","11377","11387","10.1021/ic5018888","","","0.71073","MoKα","","0.0304","0.022","","","0.0441","0.0462","","","","","","1.032","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341391","12.667","0.002","3.8119","0.0007","10.895","0.002","90","","90","","90","","526.07","0.16","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","gadolinium manganese copper phosphide (1/1/4/3)","gadolinium manganese copper phosphide (1/1/4/3)","","- Cu4 Gd Mn P3 -","- Cu4 Gd Mn P3 -","- Cu16 Gd4 Mn4 P12 -","4","0.5","","Ramachandran, Krishna K.; Stoyko, Stanislav S.; Mullen, C. Scott; Mar, Arthur","Rare-Earth Manganese Copper Phosphides REMnCu4P3 (RE = Gd-Ho): The First Quaternary Ordered Variants of the YCo5P3-Type Structure.","Inorganic chemistry","2015","54","3","860","866","10.1021/ic502075x","","","0.71073","MoKα","","0.0208","0.0191","","","0.045","0.046","","","","","","1.052","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341392","12.6535","0.0004","3.7955","0.0001","10.8761","0.0003","90","","90","","90","","522.34","0.03","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","terbium manganese copper phosphide (1/1/4/3)","terbium manganese copper phosphide (1/1/4/3)","","- Cu4 Mn P3 Tb -","- Cu4 Mn P3 Tb -","- Cu16 Mn4 P12 Tb4 -","4","0.5","","Ramachandran, Krishna K.; Stoyko, Stanislav S.; Mullen, C. Scott; Mar, Arthur","Rare-Earth Manganese Copper Phosphides REMnCu4P3 (RE = Gd-Ho): The First Quaternary Ordered Variants of the YCo5P3-Type Structure.","Inorganic chemistry","2015","54","3","860","866","10.1021/ic502075x","","","0.71073","MoKα","","0.0209","0.02","","","0.0447","0.0451","","","","","","1.097","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341393","12.6485","0.0004","3.7841","0.0001","10.868","0.0003","90","","90","","90","","520.18","0.03","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","dysprosium manganese copper phosphide (1/1/4/3)","dysprosium manganese copper phosphide (1/1/4/3)","","- Cu4 Dy Mn P3 -","- Cu4 Dy Mn P3 -","- Cu16 Dy4 Mn4 P12 -","4","0.5","","Ramachandran, Krishna K.; Stoyko, Stanislav S.; Mullen, C. Scott; Mar, Arthur","Rare-Earth Manganese Copper Phosphides REMnCu4P3 (RE = Gd-Ho): The First Quaternary Ordered Variants of the YCo5P3-Type Structure.","Inorganic chemistry","2015","54","3","860","866","10.1021/ic502075x","","","0.71073","MoKα","","0.0226","0.0221","","","0.0509","0.0512","","","","","","1.168","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341394","12.6489","0.0004","3.7755","0.0001","10.8632","0.0004","90","","90","","90","","518.78","0.03","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","holmium manganese copper phosphide (1/1/4/3)","holmium manganese copper phosphide (1/1/4/3)","","- Cu4 Ho Mn P3 -","- Cu4 Ho Mn P3 -","- Cu16 Ho4 Mn4 P12 -","4","0.5","","Ramachandran, Krishna K.; Stoyko, Stanislav S.; Mullen, C. Scott; Mar, Arthur","Rare-Earth Manganese Copper Phosphides REMnCu4P3 (RE = Gd-Ho): The First Quaternary Ordered Variants of the YCo5P3-Type Structure.","Inorganic chemistry","2015","54","3","860","866","10.1021/ic502075x","","","0.71073","MoKα","","0.0183","0.0162","","","0.0345","0.0351","","","","","","1.073","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341460","12.804","0.003","20.02","0.004","7.2638","0.0016","90","","90","","90","","1862","0.7","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H12 Br N4 O3 Re -","- C17 H12 Br N4 O3 Re -","- C68 H48 Br4 N16 O12 Re4 -","4","0.5","","Gómez-Iglesias, Patricia; Arroyo, Marta; Bajo, Sonia; Strohmann, Carsten; Miguel, Daniel; Villafañe, Fernando","Pyrazolylamidino Ligands from Coupling of Acetonitrile and Pyrazoles: A Systematic Study.","Inorganic chemistry","2014","","","141107133009008","","10.1021/ic5018054","","","0.71073","MoKα","","0.0531","0.0277","","","0.0585","0.0693","","","","","","1.062","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341479","11.4064","0.0007","4.2702","0.0003","11.8762","0.0008","90","","90","","90","","578.46","0.07","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As2 Ca3 H Li -","- As2 Ca3 H Li -","- As8 Ca12 H4 Li4 -","4","0.5","","Blankenship, Trevor V.; Wang, Xiaoping; Hoffmann, Christina; Latturner, Susan E.","LiCa3As2H and Ca14As6X7 (X = C, H, N): Two New Arsenide Hydride Phases Grown from Ca/Li Metal Flux.","Inorganic chemistry","2014","53","19","10620","10626","10.1021/ic501722d","","","0.71073","MoKα","","0.0145","0.0135","","","0.0321","0.0326","","","","","","1.198","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341704","12.49","0.002","4.6292","0.0008","44.197","0.008","90","","90","","90","","2555.4","0.8","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca9 Mn4.41 Sb9 -","- Ca9 Mn4.407 Sb9 -","- Ca36 Mn17.628 Sb36 -","4","0.5","","Liu, Xiao-Cun; Wu, Zhen; Xia, Sheng-Qing; Tao, Xu-Tang; Bobev, Svilen","Structural Variability versus Structural Flexibility. A Case Study of Eu9Cd4+xSb9 and Ca9Mn4+xSb9 (x ≈ (1)/2).","Inorganic chemistry","2015","54","3","947","955","10.1021/ic5023505","","","0.71073","MoKα","","0.092","0.0465","","","0.0868","0.103","","","","","","1.012","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341705","11.855","0.002","4.2747","0.0008","41.44","0.008","90","","90","","90","","2100","0.7","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- As9 Ca9 Zn4.46 -","- As9 Ca9 Zn4.456 -","- As36 Ca36 Zn17.824 -","4","0.5","","Liu, Xiao-Cun; Wu, Zhen; Xia, Sheng-Qing; Tao, Xu-Tang; Bobev, Svilen","Structural Variability versus Structural Flexibility. A Case Study of Eu9Cd4+xSb9 and Ca9Mn4+xSb9 (x ≈ (1)/2).","Inorganic chemistry","2015","54","3","947","955","10.1021/ic5023505","","","0.71073","MoKα","","0.1118","0.0494","","","0.0792","0.097","","","","","","0.999","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341706","12.467","0.002","4.6227","0.0009","44.067","0.008","90","","90","","90","","2539.6","0.8","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca9 Mn4.4 Sb9 -","- Ca9 Mn4.404 Sb9 -","- Ca36 Mn17.616 Sb36 -","4","0.5","","Liu, Xiao-Cun; Wu, Zhen; Xia, Sheng-Qing; Tao, Xu-Tang; Bobev, Svilen","Structural Variability versus Structural Flexibility. A Case Study of Eu9Cd4+xSb9 and Ca9Mn4+xSb9 (x ≈ (1)/2).","Inorganic chemistry","2015","54","3","947","955","10.1021/ic5023505","","","0.71073","MoKα","","0.08","0.0588","","","0.1074","0.1167","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341707","12.4617","0.0018","4.6169","0.0007","44.051","0.006","90","","90","","90","","2534.4","0.6","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca9 Mn4.5 Sb9 -","- Ca9 Mn4.563 Sb9 -","- Ca36 Mn18.252 Sb36 -","4","0.5","","Liu, Xiao-Cun; Wu, Zhen; Xia, Sheng-Qing; Tao, Xu-Tang; Bobev, Svilen","Structural Variability versus Structural Flexibility. A Case Study of Eu9Cd4+xSb9 and Ca9Mn4+xSb9 (x ≈ (1)/2).","Inorganic chemistry","2015","54","3","947","955","10.1021/ic5023505","","","0.71073","MoKα","","0.0491","0.0404","","","0.0796","0.084","","","","","","1.146","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341708","12.453","0.002","4.6206","0.0008","44.078","0.008","90","","90","","90","","2536.3","0.8","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca9 Mn4.43 Sb9 -","- Ca9 Mn4.417 Sb9 -","- Ca36 Mn17.668 Sb36 -","4","0.5","","Liu, Xiao-Cun; Wu, Zhen; Xia, Sheng-Qing; Tao, Xu-Tang; Bobev, Svilen","Structural Variability versus Structural Flexibility. A Case Study of Eu9Cd4+xSb9 and Ca9Mn4+xSb9 (x ≈ (1)/2).","Inorganic chemistry","2015","54","3","947","955","10.1021/ic5023505","","","0.71073","MoKα","","0.0518","0.0434","","","0.0849","0.0878","","","","","","1.295","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341709","12.4668","0.0016","4.6177","0.0006","44.11","0.006","90","","90","","90","","2539.3","0.6","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca9 Mn4.43 Sb9 -","- Ca9 Mn4.403 Sb9 -","- Ca36 Mn17.612 Sb36 -","4","0.5","","Liu, Xiao-Cun; Wu, Zhen; Xia, Sheng-Qing; Tao, Xu-Tang; Bobev, Svilen","Structural Variability versus Structural Flexibility. A Case Study of Eu9Cd4+xSb9 and Ca9Mn4+xSb9 (x ≈ (1)/2).","Inorganic chemistry","2015","54","3","947","955","10.1021/ic5023505","","","0.71073","MoKα","","0.0432","0.0362","","","0.0769","0.081","","","","","","1.114","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341822","8.414","0.013","15.96","0.02","5.081","0.008","90","","90","","90","","682.3","1.7","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- B2 F Li6 O6 Rb -","- B2 F Li6 O6 Rb -","- B8 F4 Li24 O24 Rb4 -","4","0.5","","Wu, Hongping; Yu, Hongwei; Bian, Qiang; Yang, Zhihua; Han, Shujuan; Pan, Shilie","Borate Fluoride and Fluoroborate in Alkali-Metal Borate Prepared by an Open High-Temperature Solution Method.","Inorganic chemistry","2014","","","141201120741005","","10.1021/ic502625b","","","0.71073","MoKα","","0.0811","0.0433","","","0.1061","0.1243","","","","","","1.012","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341827","16.299","0.002","21.997","0.003","32.508","0.004","90","","90","","90","","11655","3","88","2","88","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C23 H44 B Co F4 N4 P2 -","- C23 H44 B Co F4 N4 P2 -","- C368 H704 B16 Co16 F64 N64 P32 -","16","2","","Shaffer, David W.; Johnson, Samantha I.; Rheingold, Arnold L.; Ziller, Joseph W.; Goddard, 3rd, William A; Nielsen, Robert J.; Yang, Jenny Y.","Reactivity of a Series of Isostructural Cobalt Pincer Complexes with CO2, CO, and H(+)","Inorganic chemistry","2014","","","141203160549001","","10.1021/ic5021725","","","0.71073","MoKα","","0.0684","0.0508","","","0.1312","0.1452","","","","","","1.025","","","","has coordinates,has disorder","179521","2020-10-21","18:00:00",""
"4341899","8.8553","0.0018","7.1883","0.0014","20.374","0.004","90","","90","","90","","1296.9","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au5.04 Ba Ga1.96 -","- Au5.0415 Ba Ga1.9585 -","- Au40.332 Ba8 Ga15.668 -","8","1","","Smetana, Volodymyr; Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena; Miller, Gordon J.","Crystal Structure and Bonding in BaAu5Ga2 and AeAu4+xGa3-x (Ae = Ba and Eu): Hexagonal Diamond-Type Au Frameworks and Remarkable Cation/Anion Partitioning in the Ae-Au-Ga Systems.","Inorganic chemistry","2015","54","3","1010","1018","10.1021/ic502402y","","","0.71073","MoKα","","0.0714","0.0452","","","0.0933","0.1067","","","","","","1.004","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341900","8.835","0.0005","7.1888","0.0003","20.388","0.0007","90","","90","","90","","1294.9","0.1","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au4.97 Ba Ga2.03 -","- Au4.9705 Ba Ga2.0295 -","- Au39.764 Ba8 Ga16.236 -","8","1","","Smetana, Volodymyr; Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena; Miller, Gordon J.","Crystal Structure and Bonding in BaAu5Ga2 and AeAu4+xGa3-x (Ae = Ba and Eu): Hexagonal Diamond-Type Au Frameworks and Remarkable Cation/Anion Partitioning in the Ae-Au-Ga Systems.","Inorganic chemistry","2015","54","3","1010","1018","10.1021/ic502402y","","","0.71073","MoKα","","0.092","0.0444","","","0.0788","0.0908","","","","","","1.028","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341954","13.563","0.01","5.9911","0.001","8.5601","0.001","90","","90","","90","","695.6","0.5","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- K O6 Te2 Y -","- K O6 Te2 Y -","- K4 O24 Te8 Y4 -","4","0.5","","Kim, Youngkwon; Lee, Dong Woo; Ok, Kang Min","Rich Structural Chemistry in New Alkali Metal Yttrium Tellurites: Three-Dimensional Frameworks of NaYTe4O10, KY(TeO3)2, RbY(TeO3)2, and a Novel Variant of Hexagonal Tungsten Bronze, CsYTe3O8.","Inorganic chemistry","2015","54","1","389","395","10.1021/ic502724n","","","0.71073","MoKα","","0.0323","0.0233","","","0.0461","0.0483","","","","","","0.936","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341955","13.7281","0.0003","6.0414","0.0002","8.632","0.0002","90","","90","","90","","715.91","0.03","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- O6 Rb Te2 Y -","- O6 Rb Te2 Y -","- O24 Rb4 Te8 Y4 -","4","0.5","","Kim, Youngkwon; Lee, Dong Woo; Ok, Kang Min","Rich Structural Chemistry in New Alkali Metal Yttrium Tellurites: Three-Dimensional Frameworks of NaYTe4O10, KY(TeO3)2, RbY(TeO3)2, and a Novel Variant of Hexagonal Tungsten Bronze, CsYTe3O8.","Inorganic chemistry","2015","54","1","389","395","10.1021/ic502724n","","","0.71073","MoKα","","0.0233","0.0184","","","0.0401","0.041","","","","","","1.013","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341975","8.05443","0.00002","11.18714","0.00003","14.71927","0.00005","90","","90","","90","","1326.3","0.007","300","","300","","","","","","","","","3","P n m a","-P 2ac 2n","62","Tropylium lead iodide","Cycloheptatrienyl lead triiodide","","- C7 I3 Pb -","- C7 I3 Pb -","- C28 I12 Pb4 -","4","0.5","","Maughan, Annalise E.; Kurzman, Joshua A.; Neilson, James R.","Hybrid Inorganic-Organic Materials with an Optoelectronically Active Aromatic Cation: (C7H7)2SnI6 and C7H7PbI3.","Inorganic chemistry","2015","54","1","370","378","10.1021/ic5025795","powder diffraction","","0.413674","synchrotron","","","","","","","","0.11565","","1.82","","","","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4342415","12.7476","0.0004","5.4562","0.0002","7.8332","0.0002","90","","90","","90","","544.83","0.03","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ni O6 Pb Se2 -","- Ni O6 Pb Se2 -","- Ni4 O24 Pb4 Se8 -","4","0.5","","Kovrugin, Vadim M.; Colmont, Marie; Terryn, Christine; Colis, Silviu; Siidra, Oleg I.; Krivovichev, Sergey V.; Mentré, Olivier","pH Controlled Pathway and Systematic Hydrothermal Phase Diagram for Elaboration of Synthetic Lead Nickel Selenites.","Inorganic chemistry","2015","54","5","2425","","10.1021/ic503055v","","","0.71073","MoKα","","0.0165","0.0139","","","0.036","0.0387","","","","","","1.09","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342416","12.8208","0.0004","5.4902","0.0002","7.9085","0.0002","90","","90","","90","","556.67","0.03","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Co O6 Pb Se2 -","- Co O6 Pb Se2 -","- Co4 O24 Pb4 Se8 -","4","0.5","","Kovrugin, Vadim M.; Colmont, Marie; Terryn, Christine; Colis, Silviu; Siidra, Oleg I.; Krivovichev, Sergey V.; Mentré, Olivier","pH Controlled Pathway and Systematic Hydrothermal Phase Diagram for Elaboration of Synthetic Lead Nickel Selenites.","Inorganic chemistry","2015","54","5","2425","","10.1021/ic503055v","","","0.71073","MoKα","","0.0203","0.0186","","","0.0429","0.0439","","","","","","1.142","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342457","19.348","0.002","21.1104","0.0019","19.8221","0.0019","90","","90","","90","","8096.2","1.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C48 H66 Cu6 N8 O43 -","- C36 H24 Cu6 N4 O33 -","- C144 H96 Cu24 N16 O132 -","4","0.5","","Zhang, Shi-Yuan; Zhang, Xiaoping; Li, Huimin; Niu, Zheng; Shi, Wei; Cheng, Peng","Dual-Functionalized Metal-Organic Frameworks Constructed from Hexatopic Ligand for Selective CO2 Adsorption.","Inorganic chemistry","2015","54","5","2310","","10.1021/ic502921j","","","0.71073","MoKα","","0.0765","0.0528","","","0.1199","0.1231","","","","","","1.039","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342639","9.051","0.009","4.419","0.004","17.55","0.017","90","","90","","90","","701.9","1.2","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba8 Hg4 S5 Se7 -","- Ba8 Hg4 S4.968 Se7.032 -","- Ba8 Hg4 S4.968 Se7.032 -","1","0.125","","Wu, Kui; Su, Xin; Pan, Shilie; Yang, Zhihua","Synthesis and Characterization of Mid-Infrared Transparency Compounds: Acentric BaHgS2 and Centric Ba8Hg4S5Se7.","Inorganic chemistry","2015","54","6","2772","2779","10.1021/ic502939g","","","0.71073","MoKα","","0.0461","0.0317","","","0.0621","0.0677","","","","","","1.044","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342698","14.6004","0.0009","8.8498","0.0007","10.0689","0.001","90","","90","","90","","1301.01","0.18","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C7 H9 B F N4 Na Si -","- C7 H9 B F N4 Na Si -","- C28 H36 B4 F4 N16 Na4 Si4 -","4","0.5","","Sprenger, Jan A. P.; Landmann, Johannes; Drisch, Michael; Ignat'ev, Nikolai; Finze, Maik","Syntheses of Tricyanofluoroborates M[BF(CN)3] (M = Na, K): (CH3)3SiCl Catalysis, Countercation Effect, and Reaction Intermediates.","Inorganic chemistry","2015","54","7","3403","3412","10.1021/ic503077c","","","0.71073","MoKα","","0.0254","0.0228","","","0.0583","0.0598","","","","","","1.072","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342909","9.2076","0.0013","14.717","0.002","43.004","0.006","90","","90","","90","","5827.4","1.4","130","2","130","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C47 H81 Er K2 O14 -","- C47 H81 Er K2 O14 -","- C188 H324 Er4 K8 O56 -","4","0.5","","Han, Tian; Ding, You-Song; Leng, Ji-Dong; Zheng, Zhiping; Zheng, Yan-Zhen","Polymeric Perturbation to the Magnetic Relaxations of the C2v-Symmetric [Er(Cp)2(OBu)2](-) Anion.","Inorganic chemistry","2015","54","10","4588","4590","10.1021/acs.inorgchem.5b00213","","","0.71073","MoKα","","0.0582","0.0543","","","0.121","0.1232","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342919","12.8073","0.0004","5.4649","0.0002","8.1408","0.0003","90","","90","","90","","569.78","0.03","298","0.2","298","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Na O6 Sc Se2 -","- Na O6 Sc Se2 -","- Na4 O24 Sc4 Se8 -","4","0.5","","Song, Seung Yoon; Ok, Kang Min","Modulation of Framework and Centricity: Cation Size Effect in New Quaternary Selenites, ASc(SeO3)2 (A = Na, K, Rb, and Cs).","Inorganic chemistry","2015","54","10","5032","5038","10.1021/acs.inorgchem.5b00653","","x-ray","0.71073","MoKα","","0.0414","0.0259","","","0.0382","0.04","","","","","","0.901","","","","has coordinates","138113","2020-10-21","18:00:00",""
"4342921","17.4795","0.0003","5.6042","0.0001","6.9918","0.0001","90","","90","","90","","684.91","0.02","298","0.2","298","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cs O6 Sc Se2 -","- Cs O6 Sc Se2 -","- Cs4 O24 Sc4 Se8 -","4","0.5","","Song, Seung Yoon; Ok, Kang Min","Modulation of Framework and Centricity: Cation Size Effect in New Quaternary Selenites, ASc(SeO3)2 (A = Na, K, Rb, and Cs).","Inorganic chemistry","2015","54","10","5032","5038","10.1021/acs.inorgchem.5b00653","","x-ray","0.71073","MoKα","","0.0563","0.0297","","","0.0476","0.0527","","","","","","0.891","","","","has coordinates","138113","2020-10-21","18:00:00",""
"4342987","13.717","0.018","20.45","0.04","4.804","0.005","90","","90","","90","","1348","3","133","2","133","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","selenium dicyanide difluoride tetrahydrofurane-solvate","","- C10 H16 F2 N2 O2 Se -","- C10 H16 F2 N2 O2 Se -","- C40 H64 F8 N8 O8 Se4 -","4","0.5","","Fritz, Stefanie; Ehm, Christian; Lentz, Dieter","Structure and Chemistry of SeFx(CN)4-x Compounds.","Inorganic chemistry","2015","54","11","5220","5231","10.1021/acs.inorgchem.5b00107","","","0.71073","MoKα","","0.1225","0.0849","","","0.1965","0.2164","","","","","","0.954","","","","has coordinates","171491","2020-10-21","18:00:00",""
"4343035","7.98385","0.00017","6.3156","0.00014","9.5641","0.0004","90","","90","","90","","482.25","0.03","296","","296","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cu H K Mo O5 -","- Cu K Mo O5 -","- Cu4 K4 Mo4 O20 -","4","0.5","","Nawa, Kazuhiro; Yajima, Takeshi; Okamoto, Yoshihiko; Hiroi, Zenji","Orbital Arrangements and Magnetic Interactions in the Quasi-One-Dimensional Cuprates ACuMoO4(OH) (A = Na, K).","Inorganic chemistry","2015","54","11","5566","5570","10.1021/acs.inorgchem.5b00686","","","0.71075","MoKα","","0.0211","0.0204","","","0.0527","0.0531","","","","","","1.245","","","","has coordinates","138165","2020-10-21","18:00:00",""
"4343120","12.497","0.0002","6.14295","0.0001","18.5883","0.0003","90","","90","","90","","1426.99","0.04","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Ba2TiUTe7","","","- Ba2 Te7 Ti U -","- Ba2 Te7 Ti U -","- Ba8 Te28 Ti4 U4 -","4","0.5","","Prakash, Jai; Mesbah, Adel; Beard, Jessica; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Three New Quaternary Actinide Chalcogenides Ba2TiUTe7, Ba2CrUTe7, and Ba2CrThTe7: Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies.","Inorganic chemistry","2015","54","7","3688","3694","10.1021/acs.inorgchem.5b00338","","","0.71073","MoKα","","0.0248","0.0192","","","0.0414","0.0426","","","","","","1.237","","","","has coordinates","137913","2020-10-21","18:00:00",""
"4343121","12.4711","0.0003","6.1653","0.0001","18.5645","0.0004","90","","90","","90","","1427.39","0.05","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Ba2UCrTe7","","","- Ba2 Cr Te7 U -","- Ba2 Cr Te7 U -","- Ba8 Cr4 Te28 U4 -","4","0.5","","Prakash, Jai; Mesbah, Adel; Beard, Jessica; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Three New Quaternary Actinide Chalcogenides Ba2TiUTe7, Ba2CrUTe7, and Ba2CrThTe7: Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies.","Inorganic chemistry","2015","54","7","3688","3694","10.1021/acs.inorgchem.5b00338","","","0.71073","MoKα","","0.0229","0.0187","","","0.0416","0.043","","","","","","1.069","","","","has coordinates","137913","2020-10-21","18:00:00",""
"4343122","12.5766","0.0002","6.2297","0.0001","18.7183","0.0004","90","","90","","90","","1466.55","0.05","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Ba2ThCrTe7","","","- Ba2 Cr Te7 Th -","- Ba2 Cr Te7 Th -","- Ba8 Cr4 Te28 Th4 -","4","0.5","","Prakash, Jai; Mesbah, Adel; Beard, Jessica; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Three New Quaternary Actinide Chalcogenides Ba2TiUTe7, Ba2CrUTe7, and Ba2CrThTe7: Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies.","Inorganic chemistry","2015","54","7","3688","3694","10.1021/acs.inorgchem.5b00338","","","0.71073","MoKα","","0.0212","0.0164","","","0.0267","0.0275","","","","","","1.288","","","","has coordinates","137913","2020-10-21","18:00:00",""
"4343179","10.976","0.002","20.089","0.004","27.435","0.006","90","","90","","90","","6049","2","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C51 H98 I2 N6 Ni2 O4 S2 -","- C51 H98 I2 N6 Ni2 O4 S2 -","- C204 H392 I8 N24 Ni8 O16 S8 -","4","0.5","","Jeremies, Alexander; Lehmann, Ulrike; Gruschinski, Sina; Schleife, Frederik; Meyer, Michel; Matulis, Vitaly; Ivashkevich, Oleg A.; Handke, Marcel; Stein, Karolin; Kersting, Berthold","Cavitands incorporating a lewis Acid dinickel chelate function as receptors for halide anions.","Inorganic chemistry","2015","54","8","3937","3950","10.1021/acs.inorgchem.5b00123","","","0.71073","MoKα","","0.0764","0.0536","","","0.1018","0.1105","","","","","","1.105","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343302","26.0513","0.0012","17.5259","0.0007","13.7404","0.0006","90","","90","","90","","6273.5","0.5","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C65 H48 B F24 N2 O2 Rh -","- C65 H48 B F24 N2 O2 Rh -","- C260 H192 B4 F96 N8 O8 Rh4 -","4","0.5","","Zamorano, Ana; Rendón, Nuria; Valpuesta, José E V; Álvarez, Eleuterio; Carmona, Ernesto","Synthesis and Reactivity toward H2 of (η(5)-C5Me5)Rh(III) Complexes with Bulky Aminopyridinate Ligands.","Inorganic chemistry","2015","54","13","6573","6581","10.1021/acs.inorgchem.5b00905","","","0.71073","MoKα","","0.0601","0.0448","","","0.1118","0.1177","","","","","","1.052","","","","has coordinates,has disorder","141331","2020-10-21","18:00:00",""
"4343464","12.2199","0.0005","23.9832","0.0011","14.2228","0.0006","90","","90","","90","","4168.3","0.3","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C42 H38 Cl Cu F8 P4 Pd -","- C42 H39 Cl Cu F8 P4 Pd -","- C168 H156 Cl4 Cu4 F32 P16 Pd4 -","4","0.5","","Wächtler, Erik; Privér, Steven H; Wagler, Jörg; Heine, Thomas; Zhechkov, Lyuben; Bennett, Martin A.; Bhargava, Suresh K.","Metallophilic Contacts in 2-C6F4PPh2 Bridged Heterobinuclear Complexes: A Crystallographic and Computational Study.","Inorganic chemistry","2015","54","14","6947","6957","10.1021/acs.inorgchem.5b00939","","","0.71073","MoKα","","0.0495","0.0306","","","0.061","0.0654","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343465","12.1311","0.0016","24.24","0.003","14.3081","0.0019","90","","90","","90","","4207.4","0.9","191","2","191","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C42 H38 Ag Cl F8 P4 Pd -","- C42 H38 Ag Cl F8 P4 Pd -","- C168 H152 Ag4 Cl4 F32 P16 Pd4 -","4","0.5","","Wächtler, Erik; Privér, Steven H; Wagler, Jörg; Heine, Thomas; Zhechkov, Lyuben; Bennett, Martin A.; Bhargava, Suresh K.","Metallophilic Contacts in 2-C6F4PPh2 Bridged Heterobinuclear Complexes: A Crystallographic and Computational Study.","Inorganic chemistry","2015","54","14","6947","6957","10.1021/acs.inorgchem.5b00939","","","0.71073","MoKα","","0.0494","0.0293","","","0.0598","0.0644","","","","","","1.03","","","","has coordinates","152828","2020-10-21","18:00:00",""
"4343466","12.1772","0.001","24.117","0.002","14.2573","0.0012","90","","90","","90","","4187","0.6","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C42 H38 Au Cl F8 P4 Pd -","- C42 H38 Au Cl F8 P4 Pd -","- C168 H152 Au4 Cl4 F32 P16 Pd4 -","4","0.5","","Wächtler, Erik; Privér, Steven H; Wagler, Jörg; Heine, Thomas; Zhechkov, Lyuben; Bennett, Martin A.; Bhargava, Suresh K.","Metallophilic Contacts in 2-C6F4PPh2 Bridged Heterobinuclear Complexes: A Crystallographic and Computational Study.","Inorganic chemistry","2015","54","14","6947","6957","10.1021/acs.inorgchem.5b00939","","","0.71073","MoKα","","0.0527","0.0337","","","0.0613","0.065","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343470","17.5181","0.0009","16.6341","0.0009","16.8646","0.0009","90","","90","","90","","4914.3","0.5","200","2","200","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C44 H40 Ag Cl2 F11 O3 P4 Pd S -","- C43 H38 Ag F11 O3 P4 Pd S -","- C172 H152 Ag4 F44 O12 P16 Pd4 S4 -","4","0.5","","Wächtler, Erik; Privér, Steven H; Wagler, Jörg; Heine, Thomas; Zhechkov, Lyuben; Bennett, Martin A.; Bhargava, Suresh K.","Metallophilic Contacts in 2-C6F4PPh2 Bridged Heterobinuclear Complexes: A Crystallographic and Computational Study.","Inorganic chemistry","2015","54","14","6947","6957","10.1021/acs.inorgchem.5b00939","","","0.71073","MoKα","","0.0395","0.0305","","","0.0764","0.0799","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343518","32.334","0.003","21.7718","0.0017","12.1888","0.001","90","","90","","90","","8580.5","1.3","298","2","298","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C10 H30 Ca Fe Mo18 N6 O78 P6 -","- C10 H30 Ca Fe Mo18 N6 O78 P6 -","- C40 H120 Ca4 Fe4 Mo72 N24 O312 P24 -","4","0.5","","Zhang, He; Yu, Kai; Lv, Jing-Hua; Gong, Li-Hong; Wang, Chun-Mei; Wang, Chun-Xiao; Sun, Di; Zhou, Bai-Bin","Organic-Inorganic Hybrid Materials Based on Basket-like {Ca⊂P6Mo18O73} Cages.","Inorganic chemistry","2015","54","14","6744","6757","10.1021/acs.inorgchem.5b00508","","","0.71073","MoKα","","0.0718","0.0633","","","0.092","0.1024","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343568","11.66","","7.16","","9.41","","90","","90","","90","","785.599","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs Ga Cl4","","- Cl4 Cs Ga -","- Cl4 Cs Ga -","- Cl16 Cs4 Ga4 -","4","0.5","","Gearhart, R.C.; Wood, R.H.; Beck, J.D.","Heats of Formation and Crystal Structures of Some Group 3 Tetrahalides. N (M X4)(c) (N=CsorNa, M=AlorGa, and X=ClorBr) and (C6 H5)4 As) (M Cl4)(c) (M=GaorIn). Donor-Acceptor Bond Energies for M X3-X where M=Al,Ga,In,and X=Cl,Br","Inorganic Chemistry","1975","14","","2413","2416","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343603","8.37","","6.877","","9.244","","90","","90","","90","","532.089","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","N H4 (V O (O2)2 (N H3))","","- H7 N2 O5 V -","- H7 N2 O5 V -","- H28 N8 O20 V4 -","4","0.5","","Drew, R.E.; Einstein, F.W.B.","The crystal structure of ammonium oxodiperoxoamminevanadate(V)","Inorganic Chemistry","1972","11","","1079","1083","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343654","11.673","","7.216","","25.782","","90","","90","","90","","2171.68","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","((N H3)5 Ru S S Ru (N H3)5) Cl4 (H2 O)2","","- Cl4 H34 N10 O2 Ru2 S2 -","- Cl4 N10 O2 Ru2 S2 -","- Cl16 N40 O8 Ru8 S8 -","4","0.5","","Elder, R.C.; Trkula, M.","Crystal structure of ((N H3)5 Ru S S Ru (N H3)5) Cl4 (H2 O)2. A structural trans effect and evidence for a supersulfide (S2)-bridge","Inorganic Chemistry","1977","16","","1048","1051","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343656","13.575","","10.465","","6.873","","90","","90","","90","","976.395","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Os (N H3)5 N2)1 Cl2","","- Cl2 H9 N7 Os -","- Cl2 H9 N7 Os -","- Cl8 H36 N28 Os4 -","4","0.5","","Fergusson, J.E.; Robinson, W.T.; Love, J.L.","The crystal and molecular structure of dinitrogenpentaammineosmium(II) chloride, (Os (N H3)5 N2)1 Cl2, and related ruthenium complexes","Inorganic Chemistry","1972","11","","1662","1666","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343669","9.25","","6.781","","7.152","","90","","90","","90","","448.604","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","N H3 B H2 N C S","","- C H5 B N2 S -","- C H5 B N2 S -","- C4 H20 B4 N8 S4 -","4","0.5","","Kendall, D.S.; Lipscomb, W.N.","Crystal and molecular structure of ammonia-isothiocyanoborane, N H3 B H2 N C S","Inorganic Chemistry","1973","12","","2920","2922","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343672","10.168","","7.954","","12.914","","90","","90","","90","","1044.44","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 Cu Br4","","- Br4 Cs2 Cu -","- Br4 Cs2 Cu -","- Br16 Cs8 Cu4 -","4","0.5","","Li, T.I.; Stucky, G.D.","Exchange interactions in polynuclear transition metal complexes. Structural properties of cesium tribromocuprate(II), Cs Cu Br3, a strongly coupled copper(II) system","Inorganic Chemistry","1973","12","","441","445","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343702","6.731","","17.556","","6.129","","90","","90","","90","","724.26","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Yb3 (Si O4)2 Cl","","- Cl O8 Si2 Yb3 -","- Cl O8 Si2 Yb3 -","- Cl4 O32 Si8 Yb12 -","4","0.5","","Ayasse, C.; Eick, H.A.","Synthesis and crystal structure of triytterbium chloroorthosilicate, Yb3 (Si O4)2 Cl","Inorganic Chemistry","1973","12","","1140","1143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343704","16.771","","8.206","","5.617","","90","","90","","90","","773.027","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Xe F5) (Ru F6)","","- F11 Ru Xe -","- F11 Ru Xe -","- F44 Ru4 Xe4 -","4","0.5","","Bartlett, N.; Gennis, M.; Gibler, D.D.; Morrell, B.K.; Zalkin, A.","Crystal structures of (Xe F(+)) (Ru F6(-)) and (Xe F5(+)) (Ru F6(-))","Inorganic Chemistry","1973","12","","1717","1721","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343721","7.9098","","6.6607","","7.9893","","90","","90","","90","","420.915","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs (S O2 F)","","- Cs F O2 S -","- Cs F O2 S -","- Cs4 F4 O8 S4 -","4","0.5","","Kessler, U.; Jansen, M.; van Wuellen, L.","Structure of the fluorosulfite anion: rotational disorder of (S O2 F)(-) in the alkali metal fluorosulfites and crystal structures of alpha- and beta-(Cs S O2 F)","Inorganic Chemistry","2001","40","","7040","7046","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343723","7.4947","","5.4334","","9.5791","","90","","90","","90","","390.077","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Eu2 Pd D4","","- D4 Eu2 Pd -","- D4 Eu2 Pd -","- D16 Eu8 Pd4 -","4","0.5","","Kohlmann, H.; Fischer, H.E.; Yvon, K.","Europium palladium hydrides","Inorganic Chemistry","2001","40","","2608","2613","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343751","17.491","","7.819","","4.838","","90","","90","","90","","661.655","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","S4 N5 Cl","","- Cl N5 S4 -","- Cl N5 S4 -","- Cl4 N20 S16 -","4","0.5","","Chivers, T.; Laidlaw, W.G.; Fielding, L.; Trsic, M.","Synthesis and Structure of Salts of the Bicyclic Sulfur-Nitrogen Cation S4 N5(+) and a Comparison of the Electronic Structures of the Tetrasulfur Pentanitride(1+) and -(1-) Ions","Inorganic Chemistry","1979","18","","3379","3387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343778","21.033","","7.591","","8.377","","90","","90","","90","","1337.48","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Co (N H3)6 Hg Cl5","","- Cl5 Co H18 Hg N6 -","- Cl5 Co H18 Hg N6 -","- Cl20 Co4 H72 Hg4 N24 -","4","0.5","","Herlinger, A.W.; Brown, J.N.; Dwyer, M.A.; Pavkovic, S.F.","Crystal and molecular structure and vibrational and nuclear quadrupole resonance spectra of hexaamminecobalt(III) pentachloromercurate(II), Co (N H3)6 Hg Cl5","Inorganic Chemistry","1981","20","","2366","2371","","","","","","","","","","","","","","","","","","","","","","has coordinates","189055","2020-10-21","18:00:00",""
"4343788","21.219","","7.653","","8.106","","90","","90","","90","","1316.32","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Co (N H3)6) (Zn Cl4) Cl","","- Cl5 Co H18 N6 Zn -","- Cl5 Co H18 N6 Zn -","- Cl20 Co4 H72 N24 Zn4 -","4","0.5","","Meek, D.W.; Ibers, J.A.","The crystal structure of hexaamminecobalt (III) tetrachlorozincate(II) chloride, (Co (N H3)6) (Zn Cl4) Cl","Inorganic Chemistry","1970","9","","465","470","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343799","8.93","","5.921","","7.488","","90","","90","","90","","395.924","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K Br O4","","- Br K O4 -","- Br K O4 -","- Br4 K4 O16 -","4","0.5","","Siegel, S.; Tani, B.S.; Appelman, E.","The crystal structure of potassium perbromate","Inorganic Chemistry","1969","8","","1190","1191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343834","9.394","","8.543","","4.9588","","90","","90","","90","","397.958","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Mo F6","","- F6 Mo -","- F6 Mo -","- F24 Mo4 -","4","0.5","","Drews, T.; Supel, J.; Hagenbach, A.; Seppelt, K.","Solid state molecular structures of transition metal hexafluorides","Inorganic Chemistry","2006","45","","3782","3788","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343835","9.4105","","8.5468","","4.9516","","90","","90","","90","","398.256","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Ir F6","","- F6 Ir -","- F6 Ir -","- F24 Ir4 -","4","0.5","","Drews, T.; Supel, J.; Hagenbach, A.; Seppelt, K.","Solid state molecular structures of transition metal hexafluorides","Inorganic Chemistry","2006","45","","3782","3788","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343837","9.387","","8.5435","","4.9444","","90","","90","","90","","396.53","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Os F6","","- F6 Os -","- F6 Os -","- F24 Os4 -","4","0.5","","Drews, T.; Hagenbach, A.; Supel, J.; Seppelt, K.","Solid state molecular structures of transition metal hexafluorides","Inorganic Chemistry","2006","45","","3782","3788","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343867","5.9365","","18.842","","5.949","","90","","90","","90","","665.429","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sr2 F2 Sn S3","","- F2 S3 Sn Sr2 -","- F2 S3 Sn Sr2 -","- F8 S12 Sn4 Sr8 -","4","0.5","","Kabbour, H.; Meerschaut, A.; Cario, L.; Danot, M.","Design of a new family of inorganic compounds Ae2 F2 Sn X3 (Ae= Sr, Ba; X = S, Se) using rock salt and fluorite 2D building blocks.","Inorganic Chemistry","2006","45","","917","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343884","10.8918","","8.031","","13.847","","90","","90","","90","","1211.22","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Hg (N H3)4) (Cl O4)2","","- Cl2 H12 Hg N4 O8 -","- Cl2 H12 Hg N4 O8 -","- Cl8 H48 Hg4 N16 O32 -","4","0.5","","Nilsson, K.B.; Maliarik, M.; Persson, I.; Ullstroem, A.S.; Eriksson, L.; Fischer, A.; Sandstroem, M.","The coordination chemistry of the mercury(II) in liquid and aqueous ammonia solution and the crystal structure of tetraamminemercury(II) perchlorate","Inorganic Chemistry","2008","47","","1953","1964","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343891","16.99","0.003","24.487","0.005","9.888","0.002","90","","90","","90","","4113.7","1.4","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C47 H40 Cl2 F6 N P2 Rh -","- C47 H40 Cl2 F6 N P2 Rh -","- C188 H160 Cl8 F24 N4 P8 Rh4 -","4","0.5","","Halbach, Robert L.; Teets, Thomas S.; Nocera, Daniel G.","Oxygen Reduction Mechanism of Monometallic Rhodium Hydride Complexes.","Inorganic chemistry","2015","54","15","7335","7344","10.1021/acs.inorgchem.5b00856","","","0.71073","MoKα","","0.0649","0.0353","","","0.0727","0.0836","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343893","19.7872","0.0014","18.0304","0.0013","7.0829","0.0005","90","","90","","90","","2527","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C56 H44 N10 O8 Zn2 -","- C56 H44 N10 O8 Zn2 -","- C112 H88 N20 O16 Zn4 -","2","0.25","","Wen, Lili; Zheng, Xiaofang; Lv, Kangle; Wang, Chenggang; Xu, Xiaoyue","Two Amino-Decorated Metal-Organic Frameworks for Highly Selective and Quantitatively Sensing of Hg(II) and Cr(VI) in Aqueous Solution.","Inorganic chemistry","2015","54","15","7133","7135","10.1021/acs.inorgchem.5b00098","","","0.71073","MoKα","","0.0655","0.0497","","","0.1391","0.1466","","","","","","1.066","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343923","10.364","","10.679","","10.103","","90","","90","","90","","1118.17","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","P Cl4 (N (S O2 Cl)2)","","- Cl6 N O4 P S2 -","- Cl6 N O4 P S2 -","- Cl24 N4 O16 P4 S8 -","4","0.5","","Taraba, J.; Zak, Z.","Novel cation [N (S O2 N Me3)2]+ and its synthesis and crystal structure. Dichloride of imido-bis(sulfuric) acid H N (S O2 Cl)2. Part 1. Crystal structures of K N (S O2 Cl)2.(1/2) C H3 C N, K N (S O2 Cl)2.(1/6)C H2 Cl2, and [P Cl4] [N (S O2 Cl)2]","Inorganic Chemistry","2006","45","","3695","3700","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343939","4.5361","","6.2993","","4.4104","","90","","90","","90","","126.024","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Li Be H3","","- Be H3 Li -","- Be H3 Li -","- Be4 H12 Li4 -","4","0.5","","Vajeeston, P.; Ravindran, P.; Fjellvag, H.","Structural phase stability stusdies on M Be H3 (M = Li, Na, K, Rb, Cs) from density functional calculations","Inorganic Chemistry","2008","47","","508","514","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344112","19.853","","3.914","","10.644","","90","","90","","90","","827.088","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sc6 Cu0.8 Te2.2","","- Cu0.8 Sc6 Te2.2 -","- Cu0.8 Sc6 Te2.2 -","- Cu3.2 Sc24 Te8.8 -","4","0.5","","Chen, L.; Corbett, J.D.","Synthesis, structure and bonding of Sc6 M Te2 (M = Ag, Cu, Cd): heterometal-induced polymerization of metal chains in Sc2 Te","Inorganic Chemistry","2002","41","","2146","2150","","","","","","","","","","","","","","","","","","","","","","has coordinates","156686","2020-10-21","18:00:00",""
"4344159","14.384","","4.026","","15.895","","90","","90","","90","","920.479","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Y5 Ni2 Te2 H","","- H Ni2 Te2 Y5 -","- Ni2 Te2 Y5 -","- Ni8 Te8 Y20 -","4","0.5","","Maggard, P.A.; Corbett, J.D.","Two-dimensional metallic chain compounds Y5 M2 Te2 (M= Fe, Co, Ni) that are related to Gd3 Mn I3. The hydride derivative Y5 Ni2 Te2 D0.4","Inorganic Chemistry","2004","43","","2556","2563","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344160","14.359","","4.02","","15.858","","90","","90","","90","","915.374","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Y5 Ni2 Te2 D0.41","","- D0.41 Ni2 Te2 Y5 -","- D0.41 Ni2 Te2 Y5 -","- D1.64 Ni8 Te8 Y20 -","4","0.5","","Maggard, P.A.; Corbett, J.D.","Two-dimensional metallic chain compounds Y5 M2 Te2 (M= Fe, Co, Ni) that are related to Gd3 Mn I3. The hydride derivative Y5 Ni2 Te2 D0.4","Inorganic Chemistry","2004","43","","2556","2563","","","","","","","","","","","","","","","","","","","","","","has coordinates","158842","2020-10-21","18:00:00",""
"4344161","13.092","","7.9954","","10.299","","90","","90","","90","","1078.06","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","((N H3)5 Co S2 O3) Cl (H2 O)","","- Cl Co H17 N5 O4 S2 -","- Cl Co H17 N5 O4 S2 -","- Cl4 Co4 H68 N20 O16 S8 -","4","0.5","","Restivo, R.J.; Ferguson, G.; Balahura, R.J.","Kinetic investigation of the chromium(II) reduction of thiosulfatopentaamminecobalt(III). Refinement of the crystal structure of ((N H3)5 Co S2 O3) Cl (H2 O)","Inorganic Chemistry","1977","16","","167","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344197","13.27","","9.85","","6.84","","90","","90","","90","","894.053","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K2 Os N Cl5","","- Cl5 K2 N Os -","- Cl5 K2 N Os -","- Cl20 K8 N4 Os4 -","4","0.5","","Bright, D.; Ibers, J.A.","Studies of Metal-Nitrogen Multiple Bonds. V. The Crystal Structure of Potassium Nitridopentachloroosmate(VI), K2 Os N Cl5","Inorganic Chemistry","1969","8","","709","716","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344199","12.398","","9.562","","8.246","","90","","90","","90","","977.561","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Yb5 Sb3","","- Sb3 Yb5 -","- Sb3 Yb5 -","- Sb12 Yb20 -","4","0.5","","Brunton, G.D.; Steinfink, H.","The crystal structure of beta-ytterbium triantimonide, a low-temperature phase","Inorganic Chemistry","1971","10","","2301","2303","","","","","","","","","","","","","","","","","","","","","","has coordinates","160918","2020-10-21","18:00:00",""
"4344205","18.48","","3.374","","19.797","","90","","90","","90","","1234.37","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Nb14 S5 -","- Nb14 S5 -","- Nb56 S20 -","4","0.5","","Chen, H.-Y.; Tuenge, R.T.; Franzen, H.F.","Preparation and Crystal Structure of Nb14 S5","Inorganic Chemistry","1973","12","","552","556","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344281","7.411","","5.0498","","8.588","","90","","90","","90","","321.398","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La (O H) (N O3)","","- H La N O4 -","- La N O4 -","- La4 N4 O16 -","4","0.5","","Zhang, Q.; Lu, C.; Yang, W.; Chen, S.; Yu, Y.","Hydrothermal syntheses and crystal structures of two lanthanum compounds La (O H) S O4 and La O (N O3)","Inorganic Chemistry Communications","2004","7","","889","892","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344287","10.977","","9.845","","13.803","","90","","90","","90","","1491.67","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- P4 Se3 -","- P4 Se3 -","- P32 Se24 -","8","1","","Rollo, J.R.; Robinson, W.T.; Burns, G.R.; Clark, R.J.H.; Dawes, H.M.; Hursthouse, M.B.","A new polymorph of tetraphosphorus triselenide, alpha'P4 Se3: An x-ray, Raman, and XPS study of the normal crystalline phases and a DSC study of the crystalline and the orientationally disordered phases of P4 Se3","Inorganic Chemistry","1990","29","","2889","2894","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344296","9.135","","4.471","","17.736","","90","","90","","90","","724.384","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 Mn Se3 -","- Ba2 Mn Se3 -","- Ba8 Mn4 Se12 -","4","0.5","","Grey, I.E.; Steinfink, H.","The crystal structure of Ba2 Mn Se3. Linear antiferromagnetism in Ba2 Mn X3 (X = S, Se)","Inorganic Chemistry","1971","10","","691","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344297","8.814","","4.302","","17.048","","90","","90","","90","","646.423","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 Mn S3 -","- Ba2 Mn S3 -","- Ba8 Mn4 S12 -","4","0.5","","Grey, I.E.; Steinfink, H.","The crystal structure of Ba2 Mn Se3. Linear antiferromagnetism in Ba2 Mn X3 (X = S, Se)","Inorganic Chemistry","1971","10","","691","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344303","9.399","","16.343","","6.657","","90","","90","","90","","1022.57","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","P4 S3 I2","","- I2 P4 S3 -","- I2 P4 S3 -","- I8 P16 S12 -","4","0.5","","Hunt, G.W.; Cordes, A.W.","A New Isomer of Diiodotetraphosphorus Trisulfide. The Preparation and Crystal Structure of beta-P4 S3 I2","Inorganic Chemistry","1971","10","","1935","1937","","","","","","","","","","","","","","","","","","","","","","has coordinates","165593","2020-10-21","18:00:00",""
"4344348","17.459","","12.185","","5.2431","","90","","90","","90","","1115.41","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","V2 (V O) (P2 O7)2","","- O15 P4 V3 -","- O15 P4 V3 -","- O60 P16 V12 -","4","0.5","","Johnson, J.W.; Johnston, D.C.; King, H.E.jr.; Brody, J.F.; Halbert, T.R.; Goshorn, D.P.","Structure and magnetic properties of V2 (V O) (P2 O7)2. A mixed-valence vanadium(III,III,IV) pyrophosphate.","Inorganic Chemistry","1988","27","","1646","1648","","","","","","","","","","","","","","","","","","","","","","has coordinates","167254","2020-10-21","18:00:00",""
"4344468","6.95409","0.00035","5.58264","0.00029","9.45199","0.00048","90","","90","","90","","366.95","0.03","300","","300","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Ca3.8 Ce0.2 Li0.2 O16 Si4 Sr3.8 -","- Ca3.8 Ce0.2 Li0.2 O16 Si4 Sr3.8 -","- Ca3.8 Ce0.2 Li0.2 O16 Si4 Sr3.8 -","1","0.125","","Zhiguo Xia; Shihai Miao; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","Structure, crystallographic Sites and Tunable Luminescence Properties of Eu2+ and Ce3+/Li±activated Ca1.65Sr0.35SiO4 Phosphor","Inorganic Chemistry","2015","54","16","7684","7691","10.1021/acs.inorgchem.5b00455","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.464","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4344498","8.331","","12.243","","12.669","","90","","90","","90","","1292.19","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Zn3 Na2 (H P O3)4","","- H4 Na2 O12 P4 Zn3 -","- Na2 O12 P4 Zn3 -","- Na8 O48 P16 Zn12 -","4","0.5","","Ortiz-Avila, C.Y.; Squattrito, P.J.; Shieh, M.; Clearfield, A.","Synthesis and chracterization of a new series of zinc phosphites","Inorganic Chemistry","1989","28","","2608","2615","","","","","","","","","","","","","","","","","","","","","","has coordinates","172671","2020-10-21","18:00:00",""
"4344522","4.965","","10.211","","17.188","","90","","90","","90","","871.391","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Co4 Fe3.33 (V O4)6","","- Co4 Fe3.33 O24 V6 -","- Co4.004 Fe3.32 O24 V6 -","- Co8.008 Fe6.64 O48 V12 -","2","0.25","","Wang, X.; Vander Griend, A.; Stern, C.L.; Poeppelmeier, K.R.","Site-specific vanadates Co4 Fe3.33 (V O4)6 and Mn3 Fe4 (V O4)6","Inorganic Chemistry","2000","39","","136","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","173432","2020-10-21","18:00:00",""
"4344531","28.2062","0.001","31.0697","0.0011","40.1622","0.0014","90","","90","","90","","35196","2","296","2","296.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C29 H132 Ce11 N7 O222 P6 W48 -","- C29 H82 Ce11 N7 O222 P6 W48 -","- C116 H328 Ce44 N28 O888 P24 W192 -","4","0.5","","Ma, Pengtao; Wan, Rong; Wang, Yueyan; Hu, Feng; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Coordination-Driven Self-Assembly of a 2D Graphite-Like Framework Constructed from High-Nuclear Ce10 Cluster Encapsulated Polyoxotungstates.","Inorganic chemistry","2016","55","2","918","924","10.1021/acs.inorgchem.5b02473","","","0.71073","MoKα","","0.1111","0.0586","","","0.1338","0.167","","","","","","1.084","","","","has coordinates","175479","2020-10-21","18:00:00",""
"4344554","7.1421","0.0005","5.5677","0.0004","9.7964","0.0007","90","","90","","90","","389.55","0.05","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- N O3 P Sr2 -","- N O3 P Sr2 -","- N4 O12 P4 Sr8 -","4","0.5","","Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang","M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type.","Inorganic chemistry","2016","55","2","974","982","10.1021/acs.inorgchem.5b02647","","","0.71073","MoKα","","0.0227","0.0209","","","0.051","0.052","","","","","","1.181","","","","has coordinates","175491","2020-10-21","18:00:00",""
"4344555","6.7954","0.0003","5.4395","0.0003","9.4167","0.0005","90","","90","","90","","348.07","0.03","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca2 N O3 P -","- Ca2 N O3 P -","- Ca8 N4 O12 P4 -","4","0.5","","Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang","M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type.","Inorganic chemistry","2016","55","2","974","982","10.1021/acs.inorgchem.5b02647","","","0.71073","MoKα","","0.0268","0.0248","","","0.061","0.0618","","","","","","1.112","","","","has coordinates","175492","2020-10-21","18:00:00",""
"4344556","7.1519","0.0005","5.5778","0.0003","9.8132","0.0007","90","","90","","90","","391.47","0.04","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Strontium oxonitridophosphate","","- N O3 P Sr2 -","- N O3 P Sr2 -","- N4 O12 P4 Sr8 -","4","0.5","","Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang","M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type.","Inorganic chemistry","2016","55","2","974","982","10.1021/acs.inorgchem.5b02647","","","0.71073","MoKα","","0.0226","0.0203","","","0.0468","0.0476","","","","","","1.18","","","","has coordinates","175493","2020-10-21","18:00:00",""
"4344557","7.1433","0.0005","5.5711","0.0003","9.8","0.0007","90","","90","","90","","390","0.04","200","","200","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- N O3 P Sr2 -","- N O3 P Sr2 -","- N4 O12 P4 Sr8 -","4","0.5","","Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang","M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type.","Inorganic chemistry","2016","55","2","974","982","10.1021/acs.inorgchem.5b02647","","","0.71073","MoKα","","0.0262","0.024","","","0.0606","0.0614","","","","","","1.084","","","","has coordinates","175494","2020-10-21","18:00:00",""
"4344558","7.1482","0.0005","5.5745","0.0003","9.8061","0.0006","90","","90","","90","","390.75","0.04","250","","250","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- N O3 P Sr2 -","- N O3 P Sr2 -","- N4 O12 P4 Sr8 -","4","0.5","","Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang","M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type.","Inorganic chemistry","2016","55","2","974","982","10.1021/acs.inorgchem.5b02647","","","0.71073","MoKα","","0.0221","0.0196","","","0.0437","0.0442","","","","","","1.191","","","","has coordinates","175495","2020-10-21","18:00:00",""
"4344559","7.1397","0.0005","5.5649","0.0004","9.7903","0.0007","90","","90","","90","","388.99","0.05","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- N O3 P Sr2 -","- N O3 P Sr2 -","- N4 O12 P4 Sr8 -","4","0.5","","Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang","M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type.","Inorganic chemistry","2016","55","2","974","982","10.1021/acs.inorgchem.5b02647","","","0.71073","MoKα","","0.0256","0.0234","","","0.0561","0.0571","","","","","","1.114","","","","has coordinates","175496","2020-10-21","18:00:00",""
"4344604","13.445","0.004","13.353","0.004","11.273","0.003","90","","90","","90","","2023.9","1","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H16 Cl6 N W -","- C18 H16 Cl6 N W -","- C72 H64 Cl24 N4 W4 -","4","0.5","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano","Oxidative Dimerization of Triarylamines Promoted by WCl6, Including the Solid State Isolation and the Crystallographic Characterization of a Triphenylammonium Salt.","Inorganic chemistry","2016","55","2","887","893","10.1021/acs.inorgchem.5b02392","","","0.71073","MoKα","","0.0752","0.0509","","","0.1084","0.1186","","","","","","0.992","","","","has coordinates","175525","2020-10-21","18:00:00",""
"4344847","22.735","0.003","14.945","0.002","11.6353","0.0012","90","","90","","90","","3953.4","0.8","200","2","200","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","","","- C20 H36 Cl I7 N4 Ru -","- C20 H36 Cl I7 N4 Ru -","- C80 H144 Cl4 I28 N16 Ru4 -","4","0.5","","Mosquera, Marta E. G.; Gomez-Sal, Pilar; Diaz, Isabel; Aguirre, Lina M.; Ienco, A.; Manca, Gabriele; Mealli, Carlo","Intriguing I2 Reduction in the Iodide for Chloride Ligand Substitution at a Ru(II) Complex: Role of Mixed Trihalides in the Redox Mechanism.","Inorganic chemistry","2015","55","1","283","","10.1021/acs.inorgchem.5b02307","","x-ray","0.71073","MoKα","","0.159","0.1302","","","0.3223","0.3422","","","","","","0.938","","","","has coordinates","175669","2020-10-21","18:00:00",""
"4344849","15.6052","0.001","7.1386","0.0004","19.6934","0.0017","90","","90","","90","","2193.8","0.3","213","2","213","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","poly-[bis-(4-(3,5-Dimethylpyrazol-4-yl)-1,2,4-triazole)-sulfato- copper(II)] Trihydrate","","- C14 H24 Cu N10 O7 S -","- C14 H20 Cu N10 O7 S -","- C56 H80 Cu4 N40 O28 S4 -","4","0.5","","Lysenko, Andrey B.; Senchyk, Ganna A.; Lukashuk, Liliana V.; Domasevitch, Konstantin V.; Handke, Marcel; Lincke, Jörg; Krautscheid, Harald; Rusanov, Eduard B.; Krämer, Karl W; Decurtins, Silvio; Liu, Shi-Xia","Composition Space Analysis in the Development of Copper Molybdate Hybrids Decorated by a Bifunctional Pyrazolyl/1,2,4-Triazole Ligand.","Inorganic chemistry","2015","55","1","239","","10.1021/acs.inorgchem.5b02188","","","0.71073","MoKα","","0.0759","0.0521","","","0.1102","0.1144","","","","","","1.113","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4344875","18.679","0.01","22.856","0.012","12.905","0.007","90","","90","","90","","5509","5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C52 H57 Ir2 N6 O5 -","- C52 H57 Ir2 N6 O5 -","- C208 H228 Ir8 N24 O20 -","4","0.5","","Yang, Xiaolong; Xu, Xianbin; Dang, Jing-Shuang; Zhou, Guijiang; Ho, Cheuk-Lam; Wong, Wai-Yeung","From Mononuclear to Dinuclear Iridium(III) Complex: Effective Tuning of the Optoelectronic Characteristics for Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","4","1720","1727","10.1021/acs.inorgchem.5b02625","","","0.71073","MoKα","","0.1959","0.13","","","0.3039","0.3343","","","","","","1.127","","","","has coordinates","177196","2020-10-21","18:00:00",""
"4345044","16.1437","0.0009","33.5774","0.0019","16.8582","0.001","90","","90","","90","","9138.2","0.9","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C71 H72 N21 Nd3 O38 Zn6 -","- C62 H51 N18 Nd3 O35 Zn6 -","- C248 H204 N72 Nd12 O140 Zn24 -","4","0.5","","Feng, Xun; Feng, Yuquan; Guo, Nan; Sun, Yiling; Zhang, Tian; Ma, Lufang; Wang, Liya","Series d-f Heteronuclear Metal-Organic Frameworks: Color Tunability and Luminescent Probe with Switchable Properties.","Inorganic chemistry","2017","56","3","1713","1721","10.1021/acs.inorgchem.6b02851","","","0.71073","MoKα","","0.0725","0.0559","","","0.1558","0.1739","","","","","","1.05","","","","has coordinates,has disorder","193453","2020-10-21","18:00:00",""
"4345054","15.622","0.002","4.1113","0.0007","4.4732","0.0007","90","","90","","90","","287.3","0.08","297","2","297","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba D1.86 Si -","- Ba D1.862 Si -","- Ba4 D7.448 Si4 -","4","0.5","","Auer, Henry; Guehne, Robin; Bertmer, Marko; Weber, Sebastian; Wenderoth, Patrick; Hansen, Thomas Christian; Haase, Jürgen; Kohlmann, Holger","Hydrides of Alkaline Earth-Tetrel (AeTt) Zintl Phases: Covalent Tt-H Bonds from Silicon to Tin.","Inorganic chemistry","2017","56","3","1061","1071","10.1021/acs.inorgchem.6b01944","powder diffraction","","2.41539","neutron","","","","","","","","","6.2916","2.36","","","","","","","has coordinates","193441","2020-10-21","18:00:00",""
"4345207","11.4511","0.0008","7.3352","0.0005","12.4911","0.0013","90","","90","","90","","1049.2","0.15","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- K2 O12 Te3 Th -","- K2 O12 Te3 Th -","- K8 O48 Te12 Th4 -","4","0.5","","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","","0.0491","0.0425","","","0.1008","0.1066","","","","","","1.033","","","","has coordinates","194799","2020-10-21","18:00:00",""
"4345254","15.2694","0.0011","4.06","0.0002","11.9108","0.0009","90","","90","","90","","738.4","0.09","297","2","297","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- D1.2 Ge Sr -","- D1.19733 Ge Sr -","- D14.368 Ge12 Sr12 -","12","1.5","","Auer, Henry; Guehne, Robin; Bertmer, Marco; Weber, Sebastian; Wenderoth, Patrick; Hansen, Thomas; Hase, Jürgen; Holger Kohlmann","Hydrides of Alkaline-earth-Tetrel (AeTt) Zintl phases PART I: Covalent Tt-H Bonds from Silicon to Tin","Inorganic Chemistry","2017","56","3","1061","1071","","powder diffraction","","1.86727","neutron","","","","","","","","","4.4566","4.63","","","","","","","has coordinates","192481","2020-10-21","18:00:00",""
"4345255","16.3097","0.001","4.5554","0.0002","12.9169","0.0007","90","","90","","90","","959.69","0.09","297","2","297","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba D1.28 Sn -","- Ba D1.278 Sn -","- Ba12 D15.336 Sn12 -","12","1.5","","Auer, Henry; Guehne, Robin; Bertmer, Marco; Weber, Sebastian; Wenderoth, Patrick; Hansen, Thomas; Hase, Jürgen; Holger Kohlmann","Hydrides of Alkaline-earth-Tetrel (AeTt) Zintl phases PART I: Covalent Tt-H Bonds from Silicon to Tin","Inorganic Chemistry","2017","56","3","1061","1071","","powder diffraction","","1.86728","neutron","","","","","","","","","5.6306","2.06","","","","","","","has coordinates","192482","2020-10-21","18:00:00",""
"4345266","13.3791","0.0012","10.5086","0.0008","6.7456","0.0006","90","","90","","90","","948.4","0.14","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cl3 H15 N5 Ru -","- Cl3 H15 N5 Ru -","- Cl12 H60 N20 Ru4 -","4","0.5","","Nathan, Sarah R.; Pino, Nicholas W.; Arduino, Daniela M.; Perocchi, Fabiana; MacMillan, Samantha N.; Wilson, Justin J.","Synthetic Methods for the Preparation of a Functional Analogue of Ru360, a Potent Inhibitor of Mitochondrial Calcium Uptake.","Inorganic chemistry","2017","56","6","3123","3126","10.1021/acs.inorgchem.6b03108","","","0.71073","MoKα","","0.0271","0.0241","","","0.0595","0.0608","","","","","","1.099","","","","has coordinates","194809","2020-10-21","18:00:00",""
"4345369","9.6921","0.0003","8.4322","0.0003","4.7188","0.0002","90","","90","","90","","385.65","0.02","150","0.1","150","0.1","","","","","","","","2","P n m a","-P 2ac 2n","62","molydenum(IV) oxide - Hp","molybdenum dioxide","","- Mo O2 -","- Mo O2 -","- Mo12 O24 -","12","1.5","","Lüdtke, Tobias; Wiedemann, Dennis; Efthimiopoulos, Ilias; Becker, Nils; Seidel, Stefan; Janka, Oliver; Pöttgen, Rainer; Dronskowski, Richard; Koch-Müller, Monika; Lerch, Martin","HP-MoO2: A High-Pressure Polymorph of Molybdenum Dioxide.","Inorganic chemistry","2017","56","4","2321","2327","10.1021/acs.inorgchem.6b03067","","x-ray","1.54184","CuKα","","0.0271","0.0267","","","0.07","0.0708","","","","","","1.157","","","","has coordinates","192936","2020-10-21","18:00:00",""
"4345405","8.3901","0.0003","11.3249","0.0004","4.295","0.0002","90","","90","","90","","408.1","0.03","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Ge2 Ni2 -","- Ba Ge2 Ni2 -","- Ba4 Ge8 Ni8 -","4","0.5","","Hlukhyy, Viktor; Trots, Dmytro; Fässler, Thomas F","First-Order Phase Transition in BaNi2Ge2 and the Influence of the Valence Electron Count on Distortion of the ThCr2Si2 Structure Type.","Inorganic chemistry","2017","56","3","1173","1185","10.1021/acs.inorgchem.6b02190","","","0.71073","MoKα","","0.0403","0.0351","","","0.0845","0.0872","","","","","","1.136","","","","has coordinates","192964","2020-10-21","18:00:00",""
"4345471","15.988","0.004","33.274","0.008","16.952","0.004","90","","90","","90","","9018","4","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C62 H39 N18 O43 Yb3 Zn6 -","- C62 H39 N18 O43 Yb3 Zn6 -","- C248 H156 N72 O172 Yb12 Zn24 -","4","0.5","","Feng, Xun; Feng, Yuquan; Guo, Nan; Sun, Yiling; Zhang, Tian; Ma, Lufang; Wang, Liya","Series d-f Heteronuclear Metal-Organic Frameworks: Color Tunability and Luminescent Probe with Switchable Properties.","Inorganic chemistry","2017","56","3","1713","1721","10.1021/acs.inorgchem.6b02851","","","0.71073","MoKα","","0.0641","0.0436","","","0.1255","0.1377","","","","","","1.011","","","","has coordinates","192994","2020-10-21","18:00:00",""
"4345472","16.0539","0.0017","33.204","0.004","17.1178","0.0018","90","","90","","90","","9124.7","1.8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C62 H37 N18 O43 Tb3 Zn6 -","- C62 H37 N18 O43 Tb3 Zn6 -","- C248 H148 N72 O172 Tb12 Zn24 -","4","0.5","","Feng, Xun; Feng, Yuquan; Guo, Nan; Sun, Yiling; Zhang, Tian; Ma, Lufang; Wang, Liya","Series d-f Heteronuclear Metal-Organic Frameworks: Color Tunability and Luminescent Probe with Switchable Properties.","Inorganic chemistry","2017","56","3","1713","1721","10.1021/acs.inorgchem.6b02851","","","0.71073","MoKα","","0.1163","0.0627","","","0.1502","0.1741","","","","","","1.18","","","","has coordinates","192995","2020-10-21","18:00:00",""
"4345473","16.2825","0.0008","33.8405","0.0017","16.9649","0.0008","90","","90","","90","","9347.8","0.8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C62 H37 Eu3 N18 O49 Zn6 -","- C62 H37 Eu3 N18 O49 Zn6 -","- C248 H148 Eu12 N72 O196 Zn24 -","4","0.5","","Feng, Xun; Feng, Yuquan; Guo, Nan; Sun, Yiling; Zhang, Tian; Ma, Lufang; Wang, Liya","Series d-f Heteronuclear Metal-Organic Frameworks: Color Tunability and Luminescent Probe with Switchable Properties.","Inorganic chemistry","2017","56","3","1713","1721","10.1021/acs.inorgchem.6b02851","","","0.71073","MoKα","","0.0764","0.0546","","","0.1567","0.1749","","","","","","1.251","","","","has coordinates","192996","2020-10-21","18:00:00",""
"4345482","14.055","0.009","20.208","0.013","7.933","0.005","90","","90","","90","","2253","2","130","2","130","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H32 Mo2 O6 -","- C22 H32 Mo2 O6 -","- C88 H128 Mo8 O24 -","4","0.5","","Neary, Michelle C.; Parkin, Gerard","Reactivity of Cyclopentadienyl Molybdenum Compounds towards Formic Acid: Structural Characterization of CpMo(PMe3)(CO)2H, CpMo(PMe3)2(CO)H, [CpMo(μ-O)(μ-O2CH)]2, and [Cp*Mo(μ-O)(μ-O2CH)]2.","Inorganic chemistry","2017","56","3","1511","1523","10.1021/acs.inorgchem.6b02606","","","0.71073","MoKα","","0.0855","0.058","","","0.1267","0.1372","","","","","","1.206","","","","has coordinates,has disorder","193001","2020-10-21","18:00:00",""
"4345505","20.19","0.05","15.23","0.04","3.793","0.009","90","","90","","90","","1166","5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 Cd2 Cl5 N -","- C5 H6 Cd2 Cl5 N -","- C20 H24 Cd8 Cl20 N4 -","4","0.5","","Sun, Xiao-Fen; Wang, Zhongxia; Li, Peng-Fei; Liao, Wei-Qiang; Ye, Heng-Yun; Zhang, Yi","Tunable Dielectric Responses Triggered by Dimensionality Modification in Organic-Inorganic Hybrid Phase Transition Compounds (C5H6N)CdnCl2n+1 (n = 1 and 2).","Inorganic chemistry","2017","56","6","3506","3511","10.1021/acs.inorgchem.6b03074","","","0.71073","MoKα","","0.0565","0.0488","","","0.1274","0.1503","","","","","","1.16","","","","has coordinates","194820","2020-10-21","18:00:00",""
"4345541","13.9846","0.0014","22.079","0.002","19.893","0.002","90","","90","","90","","6142.3","1","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C66 H66 B4 Co2 N18 O2 -","- C66 H66 B4 Co2 N18 O2 -","- C264 H264 B16 Co8 N72 O8 -","4","0.5","","Nurdin, Lucie; Spasyuk, Denis M.; Piers, Warren E.; Maron, Laurent","Reactions of Neutral Cobalt(II) Complexes of a Dianionic Tetrapodal Pentadentate Ligand: Cobalt(III) Amides from Imido Radicals.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00174","","","1.54178","CuKα","","0.0552","0.043","","","0.1098","0.1178","","","","","","1.05","","","","has coordinates,has disorder","194299","2020-10-21","18:00:00",""
"4345542","20.228","0.004","9.862","0.002","22.726","0.005","90","","90","","90","","4533.6","1.6","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C49 H41 B2 Co F6 N10 -","- C49 H41 B2 Co F6 N10 -","- C196 H164 B8 Co4 F24 N40 -","4","0.5","","Nurdin, Lucie; Spasyuk, Denis M.; Piers, Warren E.; Maron, Laurent","Reactions of Neutral Cobalt(II) Complexes of a Dianionic Tetrapodal Pentadentate Ligand: Cobalt(III) Amides from Imido Radicals.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00174","","","0.68881","synchrotron","","0.0579","0.0563","","","0.1489","0.1504","","","","","","1.092","","","","has coordinates,has disorder","194299","2020-10-21","18:00:00",""
"4345547","21.879","0.002","23.701","0.003","19.687","0.002","90","","90","","90","","10208.8","1.9","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C66.5 H76.5 Co2 F6 N13.5 O11 Si -","- C50 H34 Co2 F6 N10 O5 Si -","- C200 H136 Co8 F24 N40 O20 Si4 -","4","0.5","","Li, Jiantang; Luo, Xiaolong; Zhao, Nian; Zhang, Lirong; Huo, Qisheng; Liu, Yunling","Two Finite Binuclear [M2(μ2-OH)(COO)2] (M = Co, Ni) Based Highly Porous Metal‒Organic Frameworks with High Performance for Gas Sorption and Separation","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00156","","","0.71073","MoKα","","0.1302","0.0919","","","0.2995","0.3293","","","","","","1.203","","","","has coordinates,has disorder","194329","2020-10-21","18:00:00",""
"4345631","30.75","0.006","20.975","0.004","15.835","0.003","90","","90","","90","","10213","3","100","","100.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C34 H103 Cu9 O45 S8 Si18 -","- C34 H103 Cu9 O45 S8 Si18 -","- C136 H412 Cu36 O180 S32 Si72 -","4","0.5","","Bilyachenko, Alexey N.; Kulakova, Alena N.; Levitsky, Mikhail M.; Petrov, Artem A.; Korlyukov, Alexander A.; Shul'pina, Lidia S.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Vologzhanina, Anna V.; Tsareva, Ulyana S.; Golub, Igor E.; Gulyaeva, Ekaterina S.; Shubina, Elena S.; Shul'pin, Georgiy B.","Unusual Tri-, Hexa-, and Nonanuclear Cu(II) Cage Methylsilsesquioxanes: Synthesis, Structures, and Catalytic Activity in Oxidations with Peroxides.","Inorganic chemistry","2017","56","7","4093","4103","10.1021/acs.inorgchem.7b00061","","","0.987","synchrotron","","0.1733","0.1342","","","0.3459","0.3703","","","","","","1.03","","","","has coordinates","194733","2020-10-21","18:00:00",""
"4345772","16.4","0.005","21.773","0.006","9.744","0.003","90","","90","","90","","3479.4","1.8","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H56 Al N2 O2 P -","- C35 H56 Al N2 O2 P -","- C140 H224 Al4 N8 O8 P4 -","4","0.5","","Chu, Terry; Vyboishchikov, Sergei F.; Gabidullin, Bulat M.; Nikonov, Georgii I.","Unusual Reactions of NacNacAl with Urea and Phosphine Oxides","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00716","","","0.71073","MoKα","","0.0688","0.0403","","","0.0988","0.118","","","","","","1.062","","","","has coordinates","195933","2020-10-21","18:00:00",""
"4345783","15.5602","0.0003","8.848","0.0002","18.2092","0.0004","90","","90","","90","","2506.98","0.09","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","[Fe(pytren-2pyH-1)](ClO4)2","","","- C19 H26 Cl2 Fe N6 O8 -","- C19 H26 Cl2 Fe N6 O8 -","- C76 H104 Cl8 Fe4 N24 O32 -","4","0.5","","Clares, M. Paz; Acosta-Rueda, Laura; Castillo, Carmen E.; Blasco, Salvador; Jiménez, Hermas R; García-España, Enrique; Basallote, Manuel G.","Iron(II) Complexes with Scorpiand-Like Macrocyclic Polyamines: Kinetico-Mechanistic Aspects of Complex Formation and Oxidative Dehydrogenation of Coordinated Amines.","Inorganic chemistry","2017","56","8","4400","4412","10.1021/acs.inorgchem.6b03070","","","0.71073","MoKα","","0.0967","0.0824","","","0.2639","0.2841","","","","","","1.066","","","","has coordinates","195962","2020-10-21","18:00:00",""
"4345905","24.608","0.014","19.504","0.012","12.206","0.007","90","","90","","90","","5858","6","100","2","100","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C54 H74 D12 Li2 N6 O4 Si4 U -","- C54 H74 D12 Li2 N6 O4 Si4 U -","- C216 H296 D48 Li8 N24 O16 Si16 U4 -","4","0.5","","Pedrick, Elizabeth A.; Assefa, Mikiyas K.; Wakefield, Megan E.; Wu, Guang; Hayton, Trevor W.","Uranyl Coordination by the 14-Membered Macrocycle Dibenzotetramethyltetraaza[14]annulene.","Inorganic chemistry","2017","56","11","6638","6644","10.1021/acs.inorgchem.7b00700","","","0.71073","MoKα","","0.2212","0.129","","","0.3079","0.3594","","","","","","1.059","","","","has coordinates","198368","2020-10-21","18:00:00",""
"4345959","6.2732","0.0002","5.391","0.0001","9.1288","0.0002","90","","90","","90","","308.725","0.013","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- K N O3 -","- K N O3 -","- K4 N4 O12 -","4","0.5","","Nelyubina, Yulia V.; Korlyukov, Alexander A.; Lyssenko, Konstantin A.; Fedyanin, Ivan V.","Transferable Aspherical Atom Modeling of Electron Density in Highly Symmetric Crystals: A Case Study of Alkali-Metal Nitrates.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00340","","","0.71073","MoKα","","0.0308","0.0219","","","0.0528","0.0588","","","","","","1.002","","","","has coordinates","198953","2020-10-21","18:00:00",""
"4345972","12.2921","0.0003","38.2596","0.001","9.0269","0.0002","90","","90","","90","","4245.27","0.18","100.03","0.12","100.03","0.12","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H15 I4 P -","- C18 H15 I4 P -","- C144 H120 I32 P8 -","8","1","","Borys, Andryj M.; Clark, Ewan R.","Adducts of Donor-Functionalized Ar3P with the Soft Lewis Acid I2: Probing Simultaneous Lewis Acidity and Basicity at Internally Solvated P(III) Centers.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00278","","x-ray","0.71073","MoKα","","0.0416","0.0395","","","0.0734","0.0739","","","","","","1.311","","","","has coordinates","204145","2020-10-21","18:00:00",""
"4346137","15.6698","0.0009","6.8167","0.0004","14.2516","0.0008","90","","90","","90","","1522.3","0.15","98","2","98","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H17 Cl2 N3 Pt -","- C14 H17 Cl2 N3 Pt -","- C56 H68 Cl8 N12 Pt4 -","4","0.5","","Andrepont, Chase; Pakhomova, Svetlana; Marzilli, Patricia A.; Marzilli, Luigi G.","Unusual Example of Chelate Ring Opening upon Coordination of the 9-Ethylguanine Nucleobase to [Pt(di-(6-methyl-2-picolyl)amine)Cl]Cl.","Inorganic chemistry","2015","54","10","4895","4908","10.1021/acs.inorgchem.5b00496","","","0.71073","MoKα","","0.0401","0.0337","","","0.0675","0.0693","","","","","","1.252","","","","has coordinates","231628","2020-10-21","18:00:00",""
"4346978","31.467","0.002","16.3441","0.0012","23.6397","0.0017","90","","90","","90","","12157.9","1.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C78 H112 N30 O36 Pd3 -","- C78 H72 N30 O16 Pd3 -","- C312 H288 N120 O64 Pd12 -","4","0.5","","Samanta, Dipak; Chowdhury, Aniket; Mukherjee, Partha Sarathi","Covalent Postassembly Modification and Water Adsorption of Pd3 Self-Assembled Trinuclear Barrels.","Inorganic chemistry","2016","55","4","1562","1568","10.1021/acs.inorgchem.5b02464","","","0.71073","MoKα","","0.1115","0.0904","","","0.2213","0.2341","","","","","","1.213","","","","has coordinates","232086","2020-10-21","18:00:00",""
"4346999","7.962","0.0016","11.483","0.002","11.325","0.002","90","","90","","90","","1035.4","0.3","190","2","190","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Cl2 Cu O2 S2 -","- C4 H12 Cl2 Cu O2 S2 -","- C16 H48 Cl8 Cu4 O8 S8 -","4","0.5","","Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried","Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role?","Inorganic chemistry","2016","55","8","3759","3766","10.1021/acs.inorgchem.5b02576","","","0.71073","MoKα","","0.0288","0.0229","","","0.0566","0.0588","","","","","","1.066","","","","has coordinates","232101","2020-10-21","18:00:00",""
"4347028","22.1617","0.0017","15.9205","0.0012","11.9664","0.0009","90","","90","","90","","4222","0.6","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C16.5 H26 Au0.5 Cl2 Ga0.5 O0.75 P -","- C16.5 H26 Au0.5 Cl2 Ga0.5 O0.75 P -","- C132 H208 Au4 Cl16 Ga4 O6 P8 -","8","1","","Hu, Ji-Yun; Zhang, Jing; Wang, Gao-Xiang; Sun, Hao-Ling; Zhang, Jun-Long","Constructing a Catalytic Cycle for C-F to C-X (X = O, S, N) Bond Transformation Based on Gold-Mediated Ligand Nucleophilic Attack.","Inorganic chemistry","2016","55","5","2274","2283","10.1021/acs.inorgchem.5b02634","","","0.71073","MoKα","","0.0599","0.0398","","","0.1157","0.128","","","","","","1.045","","","","has coordinates","232121","2020-10-21","18:00:00",""
"4347049","14.34","0.003","12.963","0.003","19.695","0.004","90","","90","","90","","3661.1","1.4","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C26 H28 Au F6 N6 O6 S2 -","- C26 H28 Au F6 N6 O6 S2 -","- C104 H112 Au4 F24 N24 O24 S8 -","4","0.5","","Corbo, Robert; Ryan, Gemma F.; Haghighatbin, Mohammad A.; Hogan, Conor F.; Wilson, David J. D.; Hulett, Mark D.; Barnard, Peter J.; Dutton, Jason L.","Access to the Parent Tetrakis(pyridine)gold(III) Trication, Facile Formation of Rare Au(III) Terminal Hydroxides, and Preliminary Studies of Biological Properties.","Inorganic chemistry","2016","55","6","2830","2839","10.1021/acs.inorgchem.5b02667","","","0.71073","MoKα","","0.0386","0.0337","","","0.0897","0.0921","","","","","","1.117","","","","has coordinates","232142","2020-10-21","18:00:00",""
"4347376","7.8209","0.0005","21.6264","0.0014","11.6972","0.0007","90","","90","","90","","1978.4","0.2","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H14 F6 N8 Pt -","- C17 H14 F6 N8 Pt -","- C68 H56 F24 N32 Pt4 -","4","0.5","","Liao, Jia-Ling; Chi, Yun; Wang, Jin-Yun; Chen, Zhong-Ning; Tsai, Zheng-Hua; Hung, Wen-Yi; Tseng, Meu-Rurng; Lee, Gene-Hsiang","Pt(II) Phosphors Featuring Both Dicarbene and Functional Biazolate Chelates: Synthesis, Luminescent Properties, and Applications in Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","13","6394","6404","10.1021/acs.inorgchem.6b00097","","","0.71073","MoKα","","0.0246","0.0221","","","0.0505","0.0517","","","","","","1.059","","","","has coordinates,has disorder","232294","2020-10-21","18:00:00",""
"4347663","12.7324","0.0005","7.3646","0.0003","12.9803","0.0005","90","","90","","90","","1217.15","0.08","133","2","133","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H5 Fe I N6 Ni O -","- C8 H5 Fe I N6 Ni O -","- C32 H20 Fe4 I4 N24 Ni4 O4 -","4","0.5","","Kucheriv, Olesia I.; Shylin, Sergii I.; Ksenofontov, Vadim; Dechert, Sebastian; Haukka, Matti; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin Crossover in Fe(II)-M(II) Cyanoheterobimetallic Frameworks (M = Ni, Pd, Pt) with 2-Substituted Pyrazines.","Inorganic chemistry","2016","55","10","4906","4914","10.1021/acs.inorgchem.6b00446","","","0.71073","MoKα","","0.082","0.0664","","","0.1626","0.1717","","","","","","1.003","","","","has coordinates","232429","2020-10-21","18:00:00",""
"4347664","12.9755","0.0002","7.5378","0.00013","13.2172","0.0003","90","","90","","90","","1292.73","0.04","170","2","170","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H5 Fe I N6 O Pd -","- C8 H5 Fe I N6 O Pd -","- C32 H20 Fe4 I4 N24 O4 Pd4 -","4","0.5","","Kucheriv, Olesia I.; Shylin, Sergii I.; Ksenofontov, Vadim; Dechert, Sebastian; Haukka, Matti; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin Crossover in Fe(II)-M(II) Cyanoheterobimetallic Frameworks (M = Ni, Pd, Pt) with 2-Substituted Pyrazines.","Inorganic chemistry","2016","55","10","4906","4914","10.1021/acs.inorgchem.6b00446","","","0.71073","MoKα","","0.0178","0.0163","","","0.0405","0.0413","","","","","","1.149","","","","has coordinates","232430","2020-10-21","18:00:00",""
"4347667","12.91814","0.00009","7.52763","0.00006","13.28367","0.00011","90","","90","","90","","1291.74","0.017","170","2","170","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H5 Fe I N6 O Pt -","- C8 H5 Fe I N6 O Pt -","- C32 H20 Fe4 I4 N24 O4 Pt4 -","4","0.5","","Kucheriv, Olesia I.; Shylin, Sergii I.; Ksenofontov, Vadim; Dechert, Sebastian; Haukka, Matti; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin Crossover in Fe(II)-M(II) Cyanoheterobimetallic Frameworks (M = Ni, Pd, Pt) with 2-Substituted Pyrazines.","Inorganic chemistry","2016","55","10","4906","4914","10.1021/acs.inorgchem.6b00446","","","0.71073","MoKα","","0.0211","0.0199","","","0.0454","0.0458","","","","","","1.31","","","","has coordinates","232433","2020-10-21","18:00:00",""
"4347796","14.558","0.003","14.386","0.002","9.793","0.002","90","","90","","90","","2051","0.7","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C19.78 H20.35 B Cl0.22 N8 O0.78 Re -","- C19.781 H20.3438 B Cl0.219 N8 O0.781 Re -","- C79.124 H81.3752 B4 Cl0.876 N32 O3.124 Re4 -","4","0.5","","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","","0.0251","0.0212","","","0.052","0.0551","","","","","","1.108","","","","has coordinates,has disorder","232503","2020-10-21","18:00:00",""
"4347928","13.788","0.003","20.988","0.005","13.611","0.003","90","","90","","90","","3938.8","1.5","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","MnN5C10-Mo(CN)7","","","- C27 H58 Mn2 Mo N17 O4 -","- C27 H58 Mn2 Mo N17 O4 -","- C108 H232 Mn8 Mo4 N68 O16 -","4","0.5","","Wei, Xiao-Qin; Qian, Kun; Wei, Hai-Yan; Wang, Xin-Yi","A One-Dimensional Magnet Based on [Mo(III)(CN)7](4.).","Inorganic chemistry","2016","55","11","5107","5109","10.1021/acs.inorgchem.6b00787","","","0.71073","MoKα","","0.0664","0.0562","","","0.164","0.1753","","","","","","1.066","","","","has coordinates","232589","2020-10-21","18:00:00",""
"4348113","12.3866","0.001","27.373","0.002","18.5603","0.0016","90","","90","","90","","6293","0.9","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C66 H48 N11 O6 Zn2 -","- C66 H48 N11 O6 Zn2 -","- C264 H192 N44 O24 Zn8 -","4","0.5","","Hua, Carol; Baldansuren, Amgalanbaatar; Tuna, Floriana; Collison, David; D'Alessandro, Deanna M","In Situ Spectroelectrochemical Investigations of the Redox-Active Tris[4-(pyridin-4-yl)phenyl]amine Ligand and a Zn(2+) Coordination Framework.","Inorganic chemistry","2016","55","15","7270","7280","10.1021/acs.inorgchem.6b00981","","","0.71073","MoKα","","0.1054","0.0859","","","0.2522","0.2625","","","","","","1.081","","","","has coordinates","232755","2020-10-21","18:00:00",""
"4348114","12.3866","0.001","27.373","0.002","18.5603","0.0016","90","","90","","90","","6293","0.9","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C69 H48 N11 O9 Zn2 -","- C69 H48 N11 O9 Zn2 -","- C276 H192 N44 O36 Zn8 -","4","0.5","","Hua, Carol; Baldansuren, Amgalanbaatar; Tuna, Floriana; Collison, David; D'Alessandro, Deanna M","In Situ Spectroelectrochemical Investigations of the Redox-Active Tris[4-(pyridin-4-yl)phenyl]amine Ligand and a Zn(2+) Coordination Framework.","Inorganic chemistry","2016","55","15","7270","7280","10.1021/acs.inorgchem.6b00981","","","0.71073","MoKα","","0.1228","0.0983","","","0.2952","0.3161","","","","","","1.051","","","","has coordinates","232756","2020-10-21","18:00:00",""
"4348115","12.3866","0.001","27.373","0.002","18.5603","0.0016","90","","90","","90","","6293","0.9","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C140 H96 N22 O19 Zn4 -","- C140 H96 N22 O19 Zn4 -","- C280 H192 N44 O38 Zn8 -","2","0.25","","Hua, Carol; Baldansuren, Amgalanbaatar; Tuna, Floriana; Collison, David; D'Alessandro, Deanna M","In Situ Spectroelectrochemical Investigations of the Redox-Active Tris[4-(pyridin-4-yl)phenyl]amine Ligand and a Zn(2+) Coordination Framework.","Inorganic chemistry","2016","55","15","7270","7280","10.1021/acs.inorgchem.6b00981","","","0.71073","MoKα","","0.0944","0.0737","","","0.2147","0.2293","","","","","","1.078","","","","has coordinates","232758","2020-10-21","18:00:00",""
"4348312","19.227","0.014","7.894","0.006","10.118","0.008","90","","90","","90","","1536","2","343","2","343","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 Br5 N2 Sb -","- C5 H16 Br5 N2 Sb -","- C20 H64 Br20 N8 Sb4 -","4","0.5","","Mao, Chen-Yu; Liao, Wei-Qiang; Wang, Zhong-Xia; Zafar, Zainab; Li, Peng-Fei; Lv, Xing-Hui; Fu, Da-Wei","Temperature-Triggered Dielectric-Optical Duple Switch Based on an Organic-Inorganic Hybrid Phase Transition Crystal: [C5N2H16]2SbBr5.","Inorganic chemistry","2016","55","15","7661","7666","10.1021/acs.inorgchem.6b01107","","","0.71073","MoKα","","0.0691","0.0493","","","0.1077","0.1163","","","","","","1.074","","","","has coordinates","232873","2020-10-21","18:00:00",""
"4348319","19.22","0.04","7.741","0.016","4.74","0.01","90","","90","","90","","705","3","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H9 F2 N -","- C6 H9 F2 N -","- C24 H36 F8 N4 -","4","0.5","","Goettel, James T.; Kostiuk, Nathan; Gerken, Michael","Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.","Inorganic chemistry","2016","55","14","7126","7134","10.1021/acs.inorgchem.6b01112","","","0.71073","MoKα","","0.0541","0.0366","","","0.1016","0.1148","","","","","","1.019","","","","has coordinates","232875","2020-10-21","18:00:00",""
"4348420","33.152","0.002","14.4302","0.001","14.0799","0.001","90","","90","","90","","6735.7","0.8","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Co_Pyrene_1","","","- C56.15 H18 Co4 N2.65 O24.68 -","- C56.1527 H18 Co4 N2.6509 O24.6721 -","- C224.611 H72 Co16 N10.6036 O98.6884 -","4","0.5","","Gao, Wen-Yang; Palakurty, Sathvik; Wojtas, Lukasz; Chen, Yu-Sheng; Ma, Shengqian","Open metal sites dangled on cobalt trigonal prismatic clusters within porous MOF for CO2 capture","Inorganic Chemistry Frontiers","2015","2","4","369","","10.1039/C4QI00240G","","","0.41328","synchrotron","","0.1009","0.0705","","","0.1955","0.2175","","","","","","1.07","","","","has coordinates,has disorder","232906","2020-10-21","18:00:00",""
"4348552","11.105","0.0004","16.4221","0.0006","13.9815","0.0005","90","","90","","90","","2549.77","0.16","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H30 Co3 N2 O23 S2 -","- C10 H30 Co3 N2 O23 S2 -","- C40 H120 Co12 N8 O92 S8 -","4","0.5","","Guo, Furong; Chen, Cheng; Wang, Kangcai; Zhang, Qinghua; Lin, Zhien","Supramolecular Templating Approach for the Solvent-Free Synthesis of Open-Framework Metal Oxalates.","Inorganic chemistry","2016","55","16","7817","7819","10.1021/acs.inorgchem.6b01341","","x-ray","1.54184","CuKα","","0.1143","0.0739","","","0.1712","0.205","","","","","","1.008","","","","has coordinates","233077","2020-10-21","18:00:00",""
"4348557","11.1058","0.00011","16.34489","0.00016","14.00636","0.00014","90","","90","","90","","2542.48","0.04","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H30 N2 O23 S2 Zn3 -","- C10 H30 N2 O23 S2 Zn3 -","- C40 H120 N8 O92 S8 Zn12 -","4","0.5","","Guo, Furong; Chen, Cheng; Wang, Kangcai; Zhang, Qinghua; Lin, Zhien","Supramolecular Templating Approach for the Solvent-Free Synthesis of Open-Framework Metal Oxalates.","Inorganic chemistry","2016","55","16","7817","7819","10.1021/acs.inorgchem.6b01341","","x-ray","1.54184","CuKα","","0.0457","0.0441","","","0.1239","0.1261","","","","","","1.061","","","","has coordinates","233087","2020-10-21","18:00:00",""
"4348580","14.745","0.004","10.796","0.003","13.068","0.003","90","","90","","90","","2080.3","0.9","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H16 B2 Br6 P2 -","- C10 H16 B2 Br6 P2 -","- C40 H64 B8 Br24 P8 -","4","0.5","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.0449","0.0319","","","0.0702","0.0734","","","","","","0.897","","","","has coordinates","233128","2020-10-21","18:00:00",""
"4348805","16.4471","0.0005","20.3617","0.0005","9.8161","0.0002","90","","90","","90","","3287.32","0.14","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C33 H50 Al N2 S -","- C33 H50 Al N2 S -","- C132 H200 Al4 N8 S4 -","4","0.5","","Chu, Terry; Boyko, Yaroslav; Korobkov, Ilia; Kuzmina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Oxidative Addition of Disulfides, Alkyl Sulfides, and Diphosphides to an Aluminum(I) Center.","Inorganic chemistry","2016","55","17","9099","9104","10.1021/acs.inorgchem.6b01668","","","0.71073","MoKα","","0.0578","0.0499","","","0.1539","0.1637","","","","","","1.09","","","","has coordinates,has disorder","233372","2020-10-21","18:00:00",""
"4349107","24.3304","0.0018","10.8059","0.0008","8.3756","0.0006","90","","90","","90","","2202","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H24 Cl Dy N2 O16 -","- C12 H24 Cl Dy N2 O16 -","- C48 H96 Cl4 Dy4 N8 O64 -","4","0.5","","Ding, You-Song; Han, Tian; Hu, Yue-Qiao; Xu, Minwei; Yang, Sen; Zheng, Yan-Zhen","Syntheses, structures and magnetic properties of a series of mono- and di-nuclear dysprosium(iii)-crown-ether complexes: effects of a weak ligand-field and flexible cyclic coordination modes","Inorganic Chemistry Frontiers","2016","3","6","798","","10.1039/C5QI00308C","","","0.71073","MoKα","","0.0356","0.0333","","","0.076","0.0771","","","","","","1.12","","","","has coordinates","233582","2020-10-21","18:00:00",""
"4349289","19.378","0.009","7.39","0.003","13.683","0.007","90","","90","","90","","1959.5","1.6","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C2 H12 Ag4 N2 S8 Sn3 -","- C2 H12 Ag4 N2 S8 Sn3 -","- C8 H48 Ag16 N8 S32 Sn12 -","4","0.5","","Zhang, Bo; Li, Jun; Du, Cheng-Feng; Feng, Mei-Ling; Huang, Xiao-Ying","[CH<sub>3</sub>NH<sub>3</sub>]<sub>2</sub>Ag<sub>4</sub>Sn<sup>IV</sup><sub>2</sub>Sn<sup>II</sup>S<sub>8</sub>: An Open-Framework Mixed-Valent Chalcogenidostannate.","Inorganic chemistry","2016","55","21","10855","10858","10.1021/acs.inorgchem.6b02317","","","0.71073","MoKα","","0.0342","0.0287","","","0.063","0.0662","","","","","","0.995","","","","has coordinates","233819","2020-10-21","18:00:00",""
"4349404","23.1914","0.0007","15.533","0.0005","49.506","0.0016","90","","90","","90","","17833.6","1","293.03","0.1","293.03","0.1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C61 H63 Ag3 F N7.5 P8 Se4 -","- C61 H63 Ag3 F N7.5 P8 Se4 -","- C488 H504 Ag24 F8 N60 P64 Se32 -","8","1","","Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.","Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.","Inorganic chemistry","2017","56","15","8698","8704","10.1021/acs.inorgchem.7b00141","","x-ray","1.54184","CuKα","","0.1496","0.1002","","","0.2715","0.3052","","","","","","1.076","","","","has coordinates,has disorder","233947","2020-10-21","18:00:00",""
"4349430","18.8722","0.0008","15.9812","0.0007","11.2988","0.0005","90","","90","","90","","3407.7","0.3","103","2","103","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C37 H48 Cl Ge N O2 Rh2 -","- C37 H48 Cl Ge N O2 Rh2 -","- C148 H192 Cl4 Ge4 N4 O8 Rh8 -","4","0.5","","Ismail, Muhammad Luthfi Bin; Liu, Fu-Quan; Yim, Wai-Leung; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Reactivity of a Base-Stabilized Germanium(I) Dimer toward Group 9 Metal(I) Chloride and Dimanganese Decacarbonyl.","Inorganic chemistry","2017","56","9","5402","5410","10.1021/acs.inorgchem.7b00503","","","0.71073","MoKα","","0.1396","0.0527","","","0.1202","0.1924","","","","","","1.016","","","","has coordinates","233983","2020-10-21","18:00:00",""
"4349432","19.0523","0.0008","15.9424","0.0007","11.2787","0.0005","90","","90","","90","","3425.8","0.3","103","2","103","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C37 H48 Cl Ge Ir2 N O2 -","- C37 H48 Cl Ge Ir2 N O2 -","- C148 H192 Cl4 Ge4 Ir8 N4 O8 -","4","0.5","","Ismail, Muhammad Luthfi Bin; Liu, Fu-Quan; Yim, Wai-Leung; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Reactivity of a Base-Stabilized Germanium(I) Dimer toward Group 9 Metal(I) Chloride and Dimanganese Decacarbonyl.","Inorganic chemistry","2017","56","9","5402","5410","10.1021/acs.inorgchem.7b00503","","","0.71073","MoKα","","0.0362","0.0301","","","0.075","0.0788","","","","","","1.134","","","","has coordinates","233983","2020-10-21","18:00:00",""
"4349559","27.9361","0.0013","25.418","0.0014","6.0524","0.0003","90","","90","","90","","4297.7","0.4","293.15","","293.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H32 Cl Cu N12 O4 -","- C28 H32 Cl Cu N12 O4 -","- C112 H128 Cl4 Cu4 N48 O16 -","4","0.5","","Wu, Di; Jiang, Ruyong; Luo, Liang; He, Zhen; You, Jingsong","Bromide anion-triggered visible responsive metallogels based on squaramide complexes","Inorganic Chemistry Frontiers","2016","3","12","1597","","10.1039/C6QI00386A","","x-ray","1.54184","CuKα","","0.1013","0.0924","","","0.263","0.2698","","","","","","1.055","","","","has coordinates","234881","2020-10-21","18:00:00",""
"4349690","21.1055","0.0003","7.2526","0.0001","17.4808","0.0003","90","","90","","90","","2675.78","0.07","150","2","150","0.5","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H18 Cl N W -","- C11 H18 Cl N W -","- C88 H144 Cl8 N8 W8 -","8","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","x-ray","1.54184","CuKα","","0.0461","0.0431","","","0.1187","0.122","","","","","","1.1","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349741","14.8934","0.001","6.7188","0.0003","9.9423","0.0005","90","","90","","90","","994.88","0.09","280","2","280","2","","","","","","","","5","P n m a","-P 2ac 2n","62","N-methylpyrrolidinium cadmium trichloride","","","- C5 H12 Cd Cl3 N -","- C5 H12 Cd Cl3 N -","- C20 H48 Cd4 Cl12 N4 -","4","0.5","","Zeb, Aurang; Sun, Zhihua; Khan, Tariq; Asghar, Muhammad Adnan; Wu, Zhenyue; Li, Lina; Ji, Chengmin; Luo, Junhua","[C5H12N]CdCl3: an ABX3 perovskite-type semiconducting switchable dielectric phase transition material","Inorganic Chemistry Frontiers","2017","4","9","1485","","10.1039/C7QI00301C","","","0.71073","MoKα","","0.0444","0.032","","","0.0693","0.0777","","","","","","1.043","","","","has coordinates,has disorder","235782","2020-10-21","18:00:00",""
"4349804","16.1575","0.0011","8.0428","0.0005","11.0622","0.0009","90","","90","","90","","1437.55","0.18","280","2","280","2","","","","","","","","5","P n m a","-P 2ac 2n","62","1-Methylpiperidinium triiodoplumbate(II)","1-Methylpiperidinium triiodoplumbate(II)","","- C12 H27.98 I6 N1.98 Pb2 -","- C12 H27.98 I6 N1.98 Pb2 -","- C24 H55.96 I12 N3.96 Pb4 -","2","0.25","","Zeb, Aurang; Sun, Zhihua; Khan, Asma; Zhang, Shuquan; Khan, Tariq; Asghar, Muhammad Adnan; Luo, Junhua","[C6H14N]PbI3: a one-dimensional perovskite-like order‒disorder phase transition material with semiconducting and switchable dielectric attributes","Inorganic Chemistry Frontiers","2018","5","4","897","","10.1039/C7QI00722A","","","0.71073","MoKα","","0.0607","0.0496","","","0.1181","0.1285","","","","","","1.069","","","","has coordinates,has disorder","235848","2020-10-21","18:00:00",""
"4349815","21.246","0.004","6.9996","0.0014","10.658","0.002","90","","90","","90","","1585","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H13 Au Cl4 N2 -","- C11 H13 Au Cl4 N2 -","- C44 H52 Au4 Cl16 N8 -","4","0.5","","Xu, Zi-Xuan; Zhao, Yong-Lu; Liang, Wen-Ying; Zhou, Pan-Pan; Yang, Ying","A novel N-methylimidazolium-based poly(ionic liquid) to recover trace tetrachloroaurate from aqueous solution based on multiple supramolecular interactions","Inorganic Chemistry Frontiers","2018","5","4","922","","10.1039/C7QI00753A","","","0.71073","MoKα","","0.0605","0.0411","","","0.0731","0.08","","","","","","1.159","","","","has coordinates","235857","2020-10-21","18:00:00",""
"4350087","24.171","0.006","15.841","0.004","9.29","0.002","90","","90","","90","","3557.1","1.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H21 I9 N2 Pb3 -","- C8 H20 I9 N2 Pb3 -","- C32 H80 I36 N8 Pb12 -","4","0.5","","Yue, Cheng-Yang; Sun, Hai-Xiao; Liu, Quan-Xiu; Wang, Xin-Ming; Yuan, Zhao-Shuo; Wang, Juan; Wu, Jia-Hang; Hu, Bing; Lei, Xiao-Wu","Organic cation directed hybrid lead halides of zero-dimensional to two-dimensional structures with tunable photoluminescence properties","Inorganic Chemistry Frontiers","2019","6","10","2709","","10.1039/C9QI00684B","","","0.71073","MoKα","","0.0433","0.0379","","","0.0839","0.0858","","","","","","1.003","","","","has coordinates","237979","2020-10-21","18:00:00",""
"4350524","8.5083","0.0014","28.452","0.005","15.704","0.003","90","","90","","90","","3801.6","1.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H25 N5 O15 Y2 -","- C27 H15 N5 O14 Y2 -","- C108 H60 N20 O56 Y8 -","4","0.5","","Jia, Junhua; Lin, Xiang; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Shao, Limin; Walker, Gavin; Wilson, Claire; Schröder, Martin","Triggered ligand release coupled to framework rearrangement: generating crystalline porous coordination materials.","Inorganic chemistry","2006","45","22","8838","8840","10.1021/ic061095u","","","0.6886","synchrotron","","0.1116","0.0544","","","0.1279","0.1453","","","","","","0.87","","","","has coordinates,has disorder","239919","2020-10-21","18:00:00",""
"4350525","8.438","0.003","27.795","0.01","15.934","0.006","90","","90","","90","","3737","2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H38 Er2 N5 O21.5 -","- C27 H21 Er2 N5 O14 -","- C108 H84 Er8 N20 O56 -","4","0.5","","Jia, Junhua; Lin, Xiang; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Shao, Limin; Walker, Gavin; Wilson, Claire; Schröder, Martin","Triggered ligand release coupled to framework rearrangement: generating crystalline porous coordination materials.","Inorganic chemistry","2006","45","22","8838","8840","10.1021/ic061095u","","","0.71073","MoKα","","0.052","0.0413","","","0.1004","0.1035","","","","","","1.069","","","","has coordinates,has disorder","239920","2020-10-21","18:00:00",""
"4350622","17.305","0.004","16.439","0.003","11.772","0.002","90","","90","","90","","3348.9","1.1","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H52 N4 Na2 O2 Sb2 -","- C24 H53 N4 Na2 O2 Sb2 -","- C96 H212 N16 Na8 O8 Sb8 -","4","0.5","","Eisler, Dana J.; Chivers, Tristram","Bis(1 degree-amino)cyclodistib(III)azanes: the first structural characterization of cis and trans isomers of a single cyclodipnict(III)azane.","Inorganic chemistry","2006","45","26","10734","10742","10.1021/ic061660t","","","0.71073","MoKα","","0.0557","0.0391","","","0.0928","0.102","","","","","","1.036","","","","has coordinates,has disorder","239969","2020-10-21","18:00:00",""
"4350631","16.1853","0.0002","13.856","0.0002","13.7858","0.0002","90","","90","","90","","3091.65","0.07","293","","293","","","","","","","","?","5","P n m a","-P 2ac 2n","62","","","","- C26 H21 Ir3 Mo2 O11 -","- C26 H21 Ir3 Mo2 O11 -","- C104 H84 Ir12 Mo8 O44 -","4","0.5","","Usher, Alistair J.; Lucas, Nigel T.; Dalton, Gulliver T.; Randles, Michael D.; Viau, Lydie; Humphrey, Mark G.; Petrie, Simon; Stranger, Robert; Willis, Anthony C.; Rae, A. David","Mixed-metal cluster chemistry. 29. Core expansion and ligand-driven metal exchange at group 6-iridium clusters.","Inorganic chemistry","2006","45","26","10859","10872","10.1021/ic061736l","","","0.71073","MoKα","","","0.0238","","","","0.0271","","","","","","1.0897","","","","has coordinates","239973","2020-10-21","18:00:00",""
"4350634","21.52","0.003","15.621","0.002","9.805","0.003","90","","90","","90","","3296.1","1.2","296.2","","296.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H27 Ir3 Mo2 O11 -","- C29 H27 Ir3 Mo2 O11 -","- C116 H108 Ir12 Mo8 O44 -","4","0.5","","Usher, Alistair J.; Lucas, Nigel T.; Dalton, Gulliver T.; Randles, Michael D.; Viau, Lydie; Humphrey, Mark G.; Petrie, Simon; Stranger, Robert; Willis, Anthony C.; Rae, A. David","Mixed-metal cluster chemistry. 29. Core expansion and ligand-driven metal exchange at group 6-iridium clusters.","Inorganic chemistry","2006","45","26","10859","10872","10.1021/ic061736l","","","0.7107","MoKα","","0.0702","0.0297","","0.037","","0.0318","","","1.326","","","1.378","","","","has coordinates","239973","2020-10-21","18:00:00",""
"4350636","12.6364","0.0007","21.8933","0.0012","10.8052","0.0006","90","","90","","90","","2989.3","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","[(CF3,F-Ph)2TAP]CuCO(CH3CN)","","","- C25 H9 Cu F22 N4 O -","- C25 H9 Cu F22 N4 O -","- C100 H36 Cu4 F88 N16 O4 -","4","0.5","","Dias, H. V. Rasika; Singh, Shreeyukta; Flores, Jaime A.","Syntheses of highly fluorinated 1,3,5-triazapentadienyl ligands and their use in the isolation of copper(I)-carbonyl and copper(I)-ethylene complexes.","Inorganic chemistry","2006","45","22","8859","8861","10.1021/ic061739y","","","0.71073","MoKα","","0.0483","0.0454","","","0.1095","0.1112","","","","","","1.098","","","","has coordinates,has disorder","239974","2020-10-21","18:00:00",""
"4350671","24.222","0.0009","14.0397","0.0006","6.9906","0.0003","90","","90","","90","","2377.29","0.17","123","","123","","","","","","","","see text","6","P n m a","-P 2ac 2n","62","","","","- C17 H17 F12 N5 O2 P2 -","- C17 H17 F12 N5 O2 P2 -","- C68 H68 F48 N20 O8 P8 -","4","0.5","","Rieb, Julia; Raba, Andreas; Haslinger, Stefan; Kaspar, Manuel; Pöthig, Alexander; Cokoja, Mirza; Basset, Jean-Marie; Kühn, Fritz E","Synthesis, characterization, and reactivity of furan- and thiophene-functionalized bis(N-heterocyclic carbene) complexes of iron(II).","Inorganic chemistry","2014","53","18","9598","9606","10.1021/ic500959m","","x-ray","0.71073","MoKα","","0.0355","0.0264","","","0.0651","0.07","","","","","","1.043","","","","has coordinates","239982","2020-10-21","18:00:00",""
"4350694","8.2209","0.0002","17.1689","0.0004","14.8962","0.0003","90","","90","","90","","2102.51","0.08","123","","123","","","","","","","","see text","5","P n m a","-P 2ac 2n","62","","","","- C23 H26 Cl Ir N4 -","- C23 H26 Cl Ir N4 -","- C92 H104 Cl4 Ir4 N16 -","4","0.5","","Riener, Korbinian; Bitzer, Mario J.; Pöthig, Alexander; Raba, Andreas; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E","On the concept of hemilability: insights into a donor-functionalized iridium(I) NHC motif and its impact on reactivity.","Inorganic chemistry","2014","53","24","12767","12777","10.1021/ic5016324","","x-ray","0.71073","MoKα","","0.0264","0.0219","","","0.0569","0.0583","","","","","","1.077","","","","has coordinates","239988","2020-10-21","18:00:00",""
"4350725","8.8505","0.0003","11.8785","0.0004","7.924","0.0003","90","","90","","90","","833.06","0.05","400","","400","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H8 Mn N2 O6 -","- C3 H8 Mn N2 O6 -","- C12 H32 Mn4 N8 O24 -","4","0.5","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0374","0.0297","","","0.0779","0.083","","","","","","1.226","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350729","8.5958","0.0003","11.6442","0.0005","7.8468","0.0003","90","","90","","90","","785.4","0.05","375","","375","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H8 N2 O6 Zn -","- C3 H8 N2 O6 Zn -","- C12 H32 N8 O24 Zn4 -","4","0.5","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0422","0.0294","","","0.0727","0.0795","","","","","","1.154","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4500144","15.6513","0.0015","16.1222","0.0015","16.0671","0.0015","90","","90","","90","","4054.3","0.7","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H8 Cu6 I4 N6 S2 -","- C6 H8 Cu6 I4 N6 S2 -","- C48 H64 Cu48 I32 N48 S16 -","8","1","","Wang, Yu-Ling; Zhang, Na; Liu, Qing-Yan; Shan, Zeng-Mei; Cao, Rong; Wang, Ming-Sheng; Luo, Jun-Jian; Yang, Er-Lei","Diversity of Architecture of Copper(I) Coordination Polymers Constructed of Copper(I) Halides and 4-Methyl-1,2,4-Triazole-3-Thiol (Hmptrz) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","1","130","","10.1021/cg101018b","","","0.71073","MoKα","","0.0607","0.038","","","0.0805","0.0899","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500146","10.9375","0.0014","6.7299","0.0009","18.584","0.002","90","","90","","90","","1367.9","0.3","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H11 Ca N O6 -","- C11 H11 Ca N O6 -","- C44 H44 Ca4 N4 O24 -","4","0.5","","Liang, Po-Ching; Liu, Hsin-Kuan; Yeh, Chun-Ting; Lin, Chia-Her; Zima, Vítězslav","Supramolecular Assembly of Calcium Metal−Organic Frameworks with Structural Transformations","Crystal Growth & Design","2011","11","3","699","","10.1021/cg101114h","","","0.71073","MoKα","","0.097","0.0666","","","0.1898","0.2037","","","","","","1.044","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500147","6.9707","0.0002","17.9921","0.0007","10.008","0.0004","90","","90","","90","","1255.18","0.08","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H12 Ca N2 O5 -","- C11 H12 Ca N2 O5 -","- C44 H48 Ca4 N8 O20 -","4","0.5","","Liang, Po-Ching; Liu, Hsin-Kuan; Yeh, Chun-Ting; Lin, Chia-Her; Zima, Vítězslav","Supramolecular Assembly of Calcium Metal−Organic Frameworks with Structural Transformations","Crystal Growth & Design","2011","11","3","699","","10.1021/cg101114h","","","0.71073","MoKα","","0.0591","0.0466","","","0.1328","0.141","","","","","","1.058","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500309","6.5876","0.0005","13.517","0.0008","8.0345","0.0005","90","","90","","90","","715.43","0.08","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Phloroglucinol dihyrate","1, 3, 5-trihydroxybenzene dihydrate","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","0.5","","Seaton, Colin C.; Parkin, Andrew","Making Benzamide Cocrystals with Benzoic Acids: The Influence of Chemical Structure.","Crystal Growth & Design","2011","11","5","1502","","10.1021/cg101403j","","","0.71073","MoKα","","0.0599","0.0463","","","0.1167","0.1215","","","","","","0.934","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500361","10.0243","0.001","16.3867","0.0018","9.0352","0.001","90","","90","","90","","1484.2","0.3","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H2 Br4 N2 S4 Tl -","- C6 H2 Br4 N2 S4 Tl -","- C24 H8 Br16 N8 S16 Tl4 -","4","0.5","","Fujita, Wataru; Takahashi, Kazuyuki; Kobayashi, Hayao","Structural and Magnetic Studies on Two-Dimensional Square Planar Lattice Magnets Composed of Organic Radical Cation Salts (Benzo[1,2-d:4,5-d′]Bis[1,3,2]dithiazolyl-2-zolium)·X (X = TlBr4, TlI4, and InI4)","Crystal Growth & Design","2011","11","2","575","","10.1021/cg101481c","","","0.7107","MoKα","","0.0432","0.0402","","","0.075","0.0759","","","","","","1.269","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500362","12.243","0.002","18.452","0.003","7.4456","0.0017","90","","90","","90","","1682","0.5","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H2 I4 N2 S4 Tl -","- C6 H2 I4 N2 S4 Tl -","- C24 H8 I16 N8 S16 Tl4 -","4","0.5","","Fujita, Wataru; Takahashi, Kazuyuki; Kobayashi, Hayao","Structural and Magnetic Studies on Two-Dimensional Square Planar Lattice Magnets Composed of Organic Radical Cation Salts (Benzo[1,2-d:4,5-d′]Bis[1,3,2]dithiazolyl-2-zolium)·X (X = TlBr4, TlI4, and InI4)","Crystal Growth & Design","2011","11","2","575","","10.1021/cg101481c","","","0.7107","MoKα","","0.0775","0.0664","","","0.1774","0.1847","","","","","","1.141","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500363","12.1161","0.0012","18.8319","0.0018","7.4905","0.0007","90","","90","","90","","1709.1","0.3","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H2 I4 In N2 S4 -","- C6 H2 I4 In N2 S4 -","- C24 H8 I16 In4 N8 S16 -","4","0.5","","Fujita, Wataru; Takahashi, Kazuyuki; Kobayashi, Hayao","Structural and Magnetic Studies on Two-Dimensional Square Planar Lattice Magnets Composed of Organic Radical Cation Salts (Benzo[1,2-d:4,5-d′]Bis[1,3,2]dithiazolyl-2-zolium)·X (X = TlBr4, TlI4, and InI4)","Crystal Growth & Design","2011","11","2","575","","10.1021/cg101481c","","","0.7107","MoKα","","0.0453","0.0389","","","0.0983","0.1006","","","","","","1.228","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500534","10.731","0.0011","8.2648","0.0014","9.6593","0.0017","90","","90","","90","","856.7","0.2","296","2","296","2","1400000","","","","","","","5","P n m a","-P 2ac 2n","62","dabcoHI hydarte","1,4-diazabicyclo[2.2.2]octanium iodide hydrate","","- C6 H15 I N2 O -","- C6 H15 I N2 O -","- C24 H60 I4 N8 O4 -","4","0.5","","Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Induced Hydration of 1,4-Diazabicyclo[2.2.2]octane Hydroiodide (dabcoHI)","Crystal Growth & Design","2011","11","6","2250","","10.1021/cg101653x","","","0.71073","MoKα","","0.044","0.0402","","","0.0914","0.0931","","","","","","1.226","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500537","28.5337","0.0015","7.679","0.0004","7.228","0.0004","90","","90","","90","","1583.73","0.15","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C5 H15 Br5 N2 O Re -","- C5 H15 Br5 N2 O Re -","- C20 H60 Br20 N8 O4 Re4 -","4","0.5","","Martínez-Lillo, José; Armentano, Donatella; Mastropietro, Teresa F.; Julve, Miguel; Faus, Juan; De Munno, Giovanni","Self-Assembled One- and Two-Dimensional Networks Based on NH2Me2[ReX5(DMF)] (X = Cl and Br) Species: Polymorphism and Supramolecular Isomerism in Re(IV) Compounds","Crystal Growth & Design","2011","11","5","1733","","10.1021/cg101658a","","","0.71073","MoKα","","0.0529","0.0341","","","0.0823","0.0926","","","","","","1.061","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500569","17.592","0.005","22.091","0.005","15.733","0.005","90","0.005","90","0.005","90","0.005","6114","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C28 H40 Cu3 Mo12 N8 O41 P -","- C28 H40 Cu3 Mo12 N8 O41 P -","- C112 H160 Cu12 Mo48 N32 O164 P4 -","4","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Bai, Hong-Ye","Solvothermal Assembly of a Series of Organic‒Inorganic Hybrid Materials Constructed from Keggin Polyoxometalate Clusters and Copper(I)‒Organic Frameworks","Crystal Growth & Design","2011","11","5","1786","","10.1021/cg1017246","","","0.71069","MoKα","","0.125","0.0835","","","0.1684","0.1777","","","","","","1.155","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500703","16.651","0.004","20.376","0.004","8.7419","0.0019","90","","90","","90","","2966","1.1","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H56 N2 O30 P8 U2 -","- C40 H58 N2 O30 P8 U2 -","- C80 H116 N4 O60 P16 U4 -","2","0.25","","Adelani, Pius O.; Oliver, Allen G.; Albrecht-Schmitt, Thomas E.","Hydrothermal Synthesis and Structural Characterization of Organically Templated Uranyl Diphosphonate Compounds","Crystal Growth & Design","2011","11","5","1966","","10.1021/cg200129g","","","0.71073","MoKα","","0.0579","0.0391","","","0.0907","0.1004","","","","","","1.057","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500790","13.003","0.003","16.449","0.003","40.207","0.008","90","","90","","90","","8600","3","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C122 H95 Cl2 Eu4 N19 O33 -","- C122 H95 Cl2 Eu4 N19 O33 -","- C244 H190 Cl4 Eu8 N38 O66 -","2","0.25","","Liu, Lei-Lei; Ren, Zhi-Gang; Zhu, Lian-Wen; Wang, Hui-Fang; Yan, Wen-Yan; Lang, Jian-Ping","Temperature-Driven Assembly of Ln(III) (Ln = Nd, Eu, Yb) Coordination Polymers of a Flexible Azo Calix[4]arene Polycarboxylate Ligand","Crystal Growth & Design","2011","11","8","3479","","10.1021/cg200308k","","","0.71073","MoKα","","0.1043","0.0793","","","0.1654","0.18","","","","","","1.028","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500791","12.768","0.003","16.619","0.003","39.917","0.008","90","","90","","90","","8470","3","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C120 H92 Cl2 N18 O33 Yb4 -","- C120 H92 Cl2 N18 O33 Yb4 -","- C240 H184 Cl4 N36 O66 Yb8 -","2","0.25","","Liu, Lei-Lei; Ren, Zhi-Gang; Zhu, Lian-Wen; Wang, Hui-Fang; Yan, Wen-Yan; Lang, Jian-Ping","Temperature-Driven Assembly of Ln(III) (Ln = Nd, Eu, Yb) Coordination Polymers of a Flexible Azo Calix[4]arene Polycarboxylate Ligand","Crystal Growth & Design","2011","11","8","3479","","10.1021/cg200308k","","","0.71073","MoKα","","0.0879","0.0787","","","0.2166","0.2285","","","","","","1.065","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500828","22.0556","0.0018","20.5225","0.0016","11.9563","0.0009","90","","90","","90","","5411.9","0.7","103","2","103","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H12 Cs3 O28 P3 U3 -","- C21 H12 Cs3 O28 P3 U3 -","- C84 H48 Cs12 O112 P12 U12 -","4","0.5","","Adelani, Pius O.; Oliver, Allen G.; Albrecht-Schmitt, Thomas E.","Layered and Three-Dimensional Framework Cesium and Barium Uranyl Carboxyphenylphosphonates","Crystal Growth & Design","2011","11","7","3072","","10.1021/cg200337w","","","0.71073","MoKα","","0.0603","0.0423","","","0.1222","0.1327","","","","","","1.072","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500853","16.3232","0.0016","8.7492","0.0009","10.9207","0.0011","90","","90","","90","","1559.6","0.3","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H16 Cu3 N7 -","- C11 H16 Cu3 N7 -","- C44 H64 Cu12 N28 -","4","0.5","","Qin, Ying-Lian; Hou, Juan-Juan; Lv, Jin; Zhang, Xian-Ming","Organic Templated Cuprous Cyanide Open Frameworks Based on Cu2(CN)6Dimer with Strong and Long-Lived Luminescence","Crystal Growth & Design","2011","11","7","3101","","10.1021/cg200362c","","","0.71073","MoKα","","0.0699","0.0586","","","0.1583","0.1651","","","","","","1.069","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500932","26.9173","0.0003","22.13","0.0002","11.3881","0.0001","90","","90","","90","","6783.66","0.11","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H58 N29 Na3 O43 U2 -","- C36 H56 N29 Na3 O43 U2 -","- C144 H224 N116 Na12 O172 U8 -","4","0.5","","Thuéry, Pierre","Uranyl‒Alkali Metal Ion Heterometallic Complexes with Cucurbit[6]uril and a Sulfonated Catechol","Crystal Growth & Design","2011","11","7","3282","","10.1021/cg2005375","","","0.71073","MoKα","","0.0512","0.0339","","","0.0971","0.1033","","","","","","1.053","","","","has coordinates,has disorder","179540","2020-10-21","18:00:00",""
"4501419","18.076","0.005","30.754","0.008","34.191","0.009","90","","90","","90","","19007","9","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C84 H334 Cl2 K2 N44 O159 -","- C84 H80 Cl2 K2 N44 O32 -","- C336 H320 Cl8 K8 N176 O128 -","4","0.5","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.1992","0.1063","","","0.283","0.3203","","","","","","0.953","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501589","9.24","0.0018","6.9128","0.0014","16.095","0.003","90","","90","","90","","1028.1","0.3","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C H5.5 Mn2 N5 O6.25 S -","- C H6 Mn2 N5 O6.25 S -","- C4 H24 Mn8 N20 O25 S4 -","4","0.5","","Wang, Tian-Wei; Liu, Dong-Sheng; Huang, Chang-Cang; Sui, Yan; Huang, Xi-He; Chen, Jian-Zhong; You, Xiao-Zeng","Syntheses, Crystal Structures, and Magnetic Properties of Two Mn(II) Coordination Polymers Based on the 5-Aminotetrazole Ligand: Effect of Sources of Ligand on Construction of Topological Networks","Crystal Growth & Design","2010","10","8","3429","","10.1021/cg100127w","","","0.71073","MoKα","","0.0379","0.0375","","","0.1271","0.1279","","","","","","1.093","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501648","14.8153","0.0012","17.727","0.0016","26.627","0.002","90","","90","","90","","6993.1","1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C33 H64 Cu14 I14 N12 -","- C33 H64 Cu14 I14 N12 -","- C132 H256 Cu56 I56 N48 -","4","0.5","","Zhang, Ying; Wu, Tao; Liu, Rui; Dou, Tao; Bu, Xianhui; Feng, Pingyun","Three-Dimensional Photoluminescent Frameworks Constructed from Size-Tunable CuI Clusters","Crystal Growth & Design","2010","10","5","2047","","10.1021/cg1001978","","","0.71073","MoKα","","0.0481","0.032","","","0.059","0.0627","","","","","","0.885","","","","has coordinates,has disorder","179547","2020-10-21","18:00:00",""
"4501925","6.1536","0.0014","6.4732","0.0015","31.627","0.007","90","","90","","90","","1259.8","0.5","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","5-ethynylpyrimidine, 2,6-diethynylpyridine complex","","","- C15 H9 N3 -","- C15 H9 N3 -","- C60 H36 N12 -","4","0.5","","Bosch, Eric","Role of sp-C−H—N Hydrogen Bonding in Crystal Engineering","Crystal Growth & Design","2010","10","8","3808","","10.1021/cg100707y","","","0.71073","MoKα","","0.0805","0.0434","","","0.1009","0.1262","","","","","","1.027","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4501970","9.936","0.0003","16.2142","0.001","9.549","0.0005","90","","90","","90","","1538.38","0.13","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H18 Li2 O12 -","- C12 H18 Li2 O12 -","- C48 H72 Li8 O48 -","4","0.5","","Thuéry, Pierre; Masci, Bernardo","Two- and Three-Dimensional Assemblies Formed by Alkali Metal (Li+−Cs+) and Ba2+Ions with Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic Acid","Crystal Growth & Design","2010","10","9","4109","","10.1021/cg100785r","","","0.71073","MoKα","","0.0502","0.0419","","","0.1121","0.1167","","","","","","1.06","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4502067","22.302","0.008","23.455","0.006","5.55","0.001","90","","90","","90","","2903.2","1.4","200.2","","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C20 H18 Ag2 F6 N12 O6 S2 -","- C20 H18 Ag2 F6 N12 O6 S2 -","- C80 H72 Ag8 F24 N48 O24 S8 -","4","0.5","","Murata, Tsuyoshi; Yakiyama, Yumi; Nakasuji, Kazuhiro; Morita, Yasushi","Supramolecular Architectures and Hydrogen-Bond Directionalities of 4,4′-Biimidazole Metal Complexes Depending on Coordination Geometries","Crystal Growth & Design","2010","10","11","4898","","10.1021/cg100958r","","","0.7107","MoKα","","","0.0571","","","","0.1712","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502135","26.067","0.0002","21.1688","0.0006","7.6354","0.0007","90","","90","","90","","4213.3","0.4","110","2","110","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C41 H24 Cd2 Cl2 N8 O -","- C41 H24 Cd2 Cl2 N8 O -","- C164 H96 Cd8 Cl8 N32 O4 -","4","0.5","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry of Tetra(3-pyridyl)porphyrin. 2. Two- and Three-Dimensional Coordination Networks with Cobalt and Cadmium Ions","Crystal Growth & Design","2010","10","11","5001","","10.1021/cg1011007","","","0.71073","MoKα","","0.0722","0.0477","","","0.115","0.1227","","","","","","1.051","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502297","28.285","0.0015","17.141","0.005","7.163","0.008","90","","90","","90","","3473","4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H34 N6 O11 Zn -","- C36 H34 N6 O11 Zn -","- C144 H136 N24 O44 Zn4 -","4","0.5","","Liu, Ying; Yan, Peng-Fei; Yu, Ying-Hui; Hou, Guang-Feng; Gao, Jin-Sheng; Lu, Jack Y.","Syntheses, Structures, and Characterizations of a Series of Polymers Constructed by Two V-Shape Dipyridine-Containing Ligands","Crystal Growth & Design","2010","10","4","1559","","10.1021/cg900942e","","","0.71073","MoKα","","0.1115","0.0639","","","0.1281","0.1467","","","","","","1.05","","","","has coordinates,has disorder","179553","2020-10-21","18:00:00",""
"4502298","28.506","0.002","17.416","0.004","7.062","0.008","90","","90","","90","","3506","4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H34 Cd N6 O11 -","- C36 H34 Cd N6 O11 -","- C144 H136 Cd4 N24 O44 -","4","0.5","","Liu, Ying; Yan, Peng-Fei; Yu, Ying-Hui; Hou, Guang-Feng; Gao, Jin-Sheng; Lu, Jack Y.","Syntheses, Structures, and Characterizations of a Series of Polymers Constructed by Two V-Shape Dipyridine-Containing Ligands","Crystal Growth & Design","2010","10","4","1559","","10.1021/cg900942e","","","0.71073","MoKα","","0.0628","0.0386","","","0.0809","0.0907","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502299","28.494","0.006","17.351","0.004","7.133","0.0014","90","","90","","90","","3526.6","1.3","291","2","291","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H34 Hg N6 O11 -","- C36 H34 Hg N6 O11 -","- C144 H136 Hg4 N24 O44 -","4","0.5","","Liu, Ying; Yan, Peng-Fei; Yu, Ying-Hui; Hou, Guang-Feng; Gao, Jin-Sheng; Lu, Jack Y.","Syntheses, Structures, and Characterizations of a Series of Polymers Constructed by Two V-Shape Dipyridine-Containing Ligands","Crystal Growth & Design","2010","10","4","1559","","10.1021/cg900942e","","","0.71073","MoKα","","0.0387","0.0254","","","0.051","0.0561","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4502406","9.5513","0.0001","14.0864","0.0002","7.5528","0.0001","90","","90","","90","","1016.18","0.02","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H4 Cu2 N12 O -","- C3 H4 Cu2 N12 O -","- C12 H16 Cu8 N48 O4 -","4","0.5","","Zhong, Di-Chang; Lu, Wen-Guan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Three Coordination Polymers Based on 1H-Tetrazole (HTz) Generated via in Situ Decarboxylation: Synthesis, Structures, and Selective Gas Adsorption Properties","Crystal Growth & Design","2010","10","2","739","","10.1021/cg901128k","","","1.54178","CuKα","","0.0466","0.042","","","0.1255","0.1289","","","","","","1.034","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502451","18.7077","0.0011","24.8114","0.0015","21.5264","0.0013","90","","90","","90","","9991.8","1","273","2","273","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C200 H196 N32 O34 S0 Zn8 -","- C200 H188 N32 O34 Zn8 -","- C400 H376 N64 O68 Zn16 -","2","0.25","","He, Haiyan; Collins, David; Dai, Fangna; Zhao, Xiaoliang; Zhang, Guoqing; Ma, Huiqing; Sun, Daofeng","Construction of Metal−Organic Frameworks with 1D Chain, 2D Grid, and 3D Porous Framework Based on a Flexible Imidazole Ligand and Rigid Benzenedicarboxylates","Crystal Growth & Design","2010","10","2","895","","10.1021/cg901227h","","","0.71073","MoKα","","0.1361","0.0579","","","0.1367","0.1615","","","","","","0.905","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502545","17.108","0.004","21.644","0.005","25.258","0.006","90","","90","","90","","9353","4","273","2","273","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C63 H57 N3 Na2 O19 Zn3 -","- C63 H57 N3 Na2 O19 Zn3 -","- C252 H228 N12 Na8 O76 Zn12 -","4","0.5","","Zou, Ruqiang; Abdel-Fattah, Amr I.; Xu, Hongwu; Burrell, Anthony K.; Larson, Toti E.; McCleskey, Thomas M.; Wei, Qiang; Janicke, Michael T.; Hickmott, Donald D.; Timofeeva, Tatiana V.; Zhao, Yusheng","Porous Metal−Organic Frameworks Containing Alkali-Bridged Two-Fold Interpenetration: Synthesis, Gas Adsorption, and Fluorescence Properties","Crystal Growth & Design","2010","10","3","1301","","10.1021/cg901347p","","","0.71073","MoKα","","0.1429","0.1181","","","0.3362","0.3532","","","","","","1.15","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502547","17.108","0.004","21.644","0.005","25.258","0.006","90","","90","","90","","9353","4","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C54 H30 Na2 O13 Zn3 -","- C54 H30 Na2 O13 Zn3 -","- C216 H120 Na8 O52 Zn12 -","4","0.5","","Zou, Ruqiang; Abdel-Fattah, Amr I.; Xu, Hongwu; Burrell, Anthony K.; Larson, Toti E.; McCleskey, Thomas M.; Wei, Qiang; Janicke, Michael T.; Hickmott, Donald D.; Timofeeva, Tatiana V.; Zhao, Yusheng","Porous Metal−Organic Frameworks Containing Alkali-Bridged Two-Fold Interpenetration: Synthesis, Gas Adsorption, and Fluorescence Properties","Crystal Growth & Design","2010","10","3","1301","","10.1021/cg901347p","","","0.71073","MoKα","","0.0705","0.0519","","","0.1446","0.1503","","","","","","0.959","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502568","19.4511","0.0014","8.6547","0.0005","10.0138","0.0006","90","","90","","90","","1685.76","0.19","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H10 Hg2 N2 Rb Sb2 Se6 -","- C3 H10 Hg2 N2 Rb Sb2 Se6 -","- C12 H40 Hg8 N8 Rb4 Sb8 Se24 -","4","0.5","","Kong, De-Nian; Xie, Zai-Lai; Feng, Mei-Ling; Ye, Dong; Du, Ke-Zhao; Li, Jian-Rong; Huang, Xiao-Ying","From One-Dimensional Ribbon to Three-Dimensional Microporous Framework: The Syntheses, Crystal Structures, and Properties of a Series of Mercury Antimony Chalcogenides","Crystal Growth & Design","2010","10","3","1364","","10.1021/cg9013834","","","0.71073","MoKα","","0.0428","0.0353","","","0.0783","0.0815","","","","","","1.104","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502575","22.1515","0.0002","19.8626","0.0002","24.6483","0.0002","90","","90","","90","","10844.9","0.17","130","2","130","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C8 H178 As4 Dy8 K2 N4 Na2 O239 W44 -","- C8 As4 Dy8 K2 N4 Na2 O239 W44 -","- C16 As8 Dy16 K4 N8 Na4 O478 W88 -","2","0.25","","Ritchie, Chris; Boskovic, Colette","Disassembly and Reassembly of Polyoxometalates: The Formation of Chains from an Adaptable Precursor","Crystal Growth & Design","2010","10","2","488","","10.1021/cg901400k","","","1.54184","CuKα","","0.0483","0.0403","","","0.1051","0.1079","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502598","15.34","0.003","17.579","0.004","6.997","0.0014","90","","90","","90","","1886.8","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 Cu3 I3 N6 -","- C12 H10 Cu3 I3 N6 -","- C48 H40 Cu12 I12 N24 -","4","0.5","","Li, Baiyan; Peng, Yu; Li, Guanghua; Hua, Jia; Yu, Yang; Jin, Di; Shi, Zhan; Feng, Shouhua","Design and Construction of Coordination Polymers by 4-Amino-3,5-bis(n-pyridyl)-1,2,4-triazole (n= 2, 3, 4) Isomers in a Copper(I) Halide System: Diverse Structures Tuned by Isomeric and Anion Effects","Crystal Growth & Design","2010","10","5","2192","","10.1021/cg901438x","","","0.71073","MoKα","","0.0642","0.0528","","","0.1589","0.1664","","","","","","1.09","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502613","8.474","0.003","6.71","0.003","14.387","0.005","90","","90","","90","","818.1","0.5","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H9 N3 O3 -","- C6 H10 N3 O3 -","- C24 H40 N12 O12 -","4","0.5","","Zhou, Hong-Ping; Gan, Xiao-Ping; Li, Xian-Lei; Liu, Zhao-Di; Geng, Wen-Qian; Zhou, Fei-Xia; Ke, Wei-Zai; Wang, Peng; Kong, Lin; Hao, Fu-Ying; Wu, Jie-Ying; Tian, Yu-Peng","Anion-Induced Assembly of Five-Coordinated Mercury(II) Complexes and Density Functional Theory Calculations to Study Bond Dissociation Energies of Long Hg−N Bonds","Crystal Growth & Design","2010","10","4","1767","","10.1021/cg901453a","","","0.71073","MoKα","","0.0653","0.0494","","","0.1287","0.1392","","","","","","1.048","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502672","14.9216","0.0012","19.4883","0.0015","17.2325","0.0013","90","","90","","90","","5011.2","0.7","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H56 Mo7 N8 O38 Zn -","- C20 H16 Mo7 N8 O38 Zn -","- C80 H64 Mo28 N32 O152 Zn4 -","4","0.5","","Arumuganathan, T.; Rao, A. Srinivasa; Das, Samar K.","Polyoxometalate Supported Transition Metal Complexes: Synthesis, Crystal Structures, and Supramolecular Chemistry","Crystal Growth & Design","2010","10","10","4272","","10.1021/cg901507z","","","0.71073","MoKα","","0.0855","0.0847","","","0.1828","0.1831","","","","","","1.296","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502730","12.0967","0.001","7.3951","0.0006","12.8488","0.001","90","","90","","90","","1149.41","0.16","208","2","208","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H4 B F4 Mn N2 O3 -","- C8 H4 Mn N2 O3 -","- C32 H16 Mn4 N8 O12 -","4","0.5","","Laws, Derek R.; Sheats, John; Rheingold, Arnold L.; Geiger, William E.","Organometallic electrodes: modification of electrode surfaces through cathodic reduction of cyclopentadienyldiazonium complexes of cobalt and manganese.","Langmuir : the ACS journal of surfaces and colloids","2010","26","18","15010","15021","10.1021/la102579t","","","0.71073","MoKα","","0.0331","0.0304","","","0.0867","0.0889","","","","","","1.089","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4503159","11.639","0.0007","29.7697","0.0019","4.1222","0.0003","90","","90","","90","","1428.3","0.16","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H8 Cu3 I N6 -","- C12 H8 Cu3 I N6 -","- C48 H32 Cu12 I4 N24 -","4","0.5","","Wu, Tao; Li, Mian; Li, Dan; Huang, Xiao-Chun","Anionic CunInCluster-Based Architectures Induced by In Situ GeneratedN-Alkylated Cationic Triazolium Salts","Crystal Growth & Design","2008","8","2","568","","10.1021/cg070639f","","","0.71073","MoKα","","0.0615","0.0486","","","0.1283","0.1434","","","","","","1.177","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503186","6.885","0.001","21.065","0.003","9.9679","0.0014","90","","90","","90","","1445.7","0.4","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H13 Ca N O5 -","- C15 H13 Ca N O5 -","- C60 H52 Ca4 N4 O20 -","4","0.5","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","","0.71073","MoKα","","0.0512","0.0408","","","0.105","0.11","","","","","","1.23","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4503187","6.8739","0.0011","25.022","0.004","12.785","0.002","90","","90","","90","","2199","0.6","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H23 Ca N O5 -","- C23 H12 Ca N O5 -","- C92 H48 Ca4 N4 O20 -","4","0.5","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","","0.71073","MoKα","","0.1059","0.0874","","","0.2154","0.231","","","","","","1.102","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4503188","6.953","0.001","24.355","0.002","9.958","0.001","90","","90","","90","","1686.3","0.3","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H17 Ca N O5 -","- C19 H17 Ca N O5 -","- C76 H68 Ca4 N4 O20 -","4","0.5","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","","0.71073","MoKα","","0.0372","0.0323","","","0.0844","0.0875","","","","","","1.073","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4503190","12.1864","0.0014","6.897","0.0008","18.516","0.002","90","","90","","90","","1556.3","0.3","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H17 N O6 Sr -","- C13 H6 N O6 Sr -","- C52 H24 N4 O24 Sr4 -","4","0.5","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","","0.71073","MoKα","","0.0502","0.0387","","","0.1066","0.1139","","","","","","1.087","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4503194","7.296","0.001","23.907","0.002","10.018","0.001","90","","90","","90","","1747.4","0.3","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H17 N O5 Sr -","- C19 H18 N O5 Sr -","- C76 H72 N4 O20 Sr4 -","4","0.5","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","","0.71073","MoKα","","0.0284","0.0256","","","0.0602","0.0614","","","","","","1.063","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4503309","14.4247","0.0017","16.2067","0.0019","15.7309","0.0018","90","","90","","90","","3677.5","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H16 Cd5 N10 O16 -","- C30 H16 Cd5 N10 O16 -","- C120 H64 Cd20 N40 O64 -","4","0.5","","Lu, Wen-Guan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Four 3D Porous Metal−Organic Frameworks with Various Layered and Pillared Motifs","Crystal Growth & Design","2008","8","3","986","","10.1021/cg700979r","","","0.71073","MoKα","","0.0248","0.0197","","","0.0463","0.0485","","","","","","1.056","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503396","23.775","0.005","28.132","0.006","14.991","0.003","90","","90","","90","","10027","4","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C228 H364 Co24 N28 O184 -","- C228 H240 Co24 N28 O184 -","- C228 H240 Co24 N28 O184 -","1","0.125","","Luo, Feng; Che, Yun-xia; Zheng, Ji-min","A Ternary Metal−Organic Framework Built on Triangular Organic Spacers, Square and Tetrahedral Co2Secondary Building Units","Crystal Growth & Design","2008","8","1","176","","10.1021/cg701081s","","x-ray","0.71073","MoKα","","0.1261","0.1128","","","0.2964","0.306","","","","","","1.197","","","","has coordinates,has disorder","179564","2020-10-21","18:00:00",""
"4503397","23.862","0.005","28.479","0.01","15.041","0.003","90","","90","","90","","10221","5","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C114 H182 Co12 N14 O92 -","- C114 H108 Co12 N14 O92 -","- C228 H216 Co24 N28 O184 -","2","0.25","","Luo, Feng; Che, Yun-xia; Zheng, Ji-min","A Ternary Metal−Organic Framework Built on Triangular Organic Spacers, Square and Tetrahedral Co2Secondary Building Units","Crystal Growth & Design","2008","8","1","176","","10.1021/cg701081s","","x-ray","0.71073","MoKα","","0.0947","0.0866","","","0.2475","0.256","","","","","","1.077","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503551","19.426","0.0007","15.4031","0.0006","5.173","0.0002","90","","90","","90","","1547.87","0.1","123","2","123","2","","","","","","","","4","P n m a","-P 2ac 2n","62","trans-1,4-cyclohexanedimethanol cis-1,3-diaminocyclohexane co-crystal","trans-1,4-cyclohexanedimethanol cis-1,3-diaminocyclohexane co-crystal","","- C14 H30 N2 O2 -","- C14 H30 N2 O2 -","- C56 H120 N8 O8 -","4","0.5","","Scott, Janet L.; Hachiken, Satoshi; Tanaka, Koichi","Efficient Isomeric Enrichment in Cocrystals of Cyclohexanediamines and Low Molecular Weight Diols","Crystal Growth & Design","2008","8","7","2447","","10.1021/cg800032m","","","0.71073","MoKα","","0.0662","0.0574","","","0.139","0.1444","","","","","","1.15","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503687","9.8055","0.0011","16.1941","0.0019","9.3531","0.0011","90","","90","","90","","1485.2","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H12 N8 O6 Zn2 -","- C5 H12 N8 O6 Zn2 -","- C20 H48 N32 O24 Zn8 -","4","0.5","","Lin, Yan-Yong; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","Pillaring Zn-Triazolate Layers with Flexible Aliphatic Dicarboxylates into Three-Dimensional Metal−Organic Frameworks","Crystal Growth & Design","2008","8","10","3673","","10.1021/cg800289c","","","0.71073","MoKα","","0.0462","0.0403","","","0.1277","0.1313","","","","","","1.1","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503750","28.6184","0.0017","7.9221","0.0005","9.0751","0.0006","90","","90","","90","","2057.5","0.2","293.15","","293.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H8 Br6 Cu8 N10 -","- C4 H8 Br6 Cu8 N10 -","- C16 H32 Br24 Cu32 N40 -","4","0.5","","Zhang, Rui-Bo; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Qin, Ye-Yan; Yao, Yuan-Gen","Novel Copper(I)− and Copper(II)−Guanazolate Complexes: Structure, Network Topologies, Photoluminescence, and Magnetic Properties","Crystal Growth & Design","2008","8","10","3735","","10.1021/cg800378c","","","0.71073","MoKα","","0.0523","0.0437","","","0.1296","0.139","","","","","","0.989","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503929","11.838","0.003","6.7278","0.0017","10.692","0.003","90","","90","","90","","851.6","0.4","175","2","290","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H4 F3 N O3 -","- C8 H4 F3 N O3 -","- C32 H16 F12 N4 O12 -","4","0.5","","Chopra, Deepak; Thiruvenkatam, Vijay; Manjunath, S. G.; Guru Row, Tayur N.","Variability in Halogen Interactions: In situ Cryocrystallization of Low Melting Substituted Trifluoroacetophenones","Crystal Growth & Design","2007","7","5","868","","10.1021/cg0604881","","","0.71073","MoKα","","0.0487","0.0379","","","0.0947","0.1021","","","","","","1.029","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4504547","14.125","0.005","15.722","0.006","8.51","0.003","90","","90","","90","","1889.8","1.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H20 Ag N5 O3 S -","- C16 H20 Ag N5 O3 S -","- C64 H80 Ag4 N20 O12 S4 -","4","0.5","","Li, Fang-Fang; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Jia, Heng-Qing; Hu, Ning-Hai","Syntheses, Structures, and Characterizations of Four New Silver(I) Sulfonate Coordination Polymers with Neutral Ligands","Crystal Growth & Design","2006","6","1","209","","10.1021/cg050293d","","","0.71073","MoKα","","0.0616","0.0455","","","0.1116","0.1211","","","","","","1.042","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504915","14.7349","0.001","18.7523","0.0012","9.074","0.0006","90","","90","","90","","2507.3","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","2-amino-5-picolinium 2,5-thiophenedicarboxylate 2,5-thiophenedicarboxylic acid","2-amino-5-picolinium 2,5-thiophenedicarboxylate 2,5-thiophenedicarboxylic acid","","- C24 H24 N4 O8 S2 -","- C24 H24 N4 O8 S2 -","- C96 H96 N16 O32 S8 -","4","0.5","","Bis, Joanna A.; Zaworotko, Michael J.","The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals","Crystal Growth & Design","2005","5","3","1169","","10.1021/cg049622c","","","0.71073","MoKα","","0.0372","0.0339","","","0.0887","0.0907","","","","","","1.064","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4505315","10.535","0.002","9.0614","0.0018","8.4297","0.0017","90","","90","","90","","804.7","0.3","90","0.2","90","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C32 H48 N8 O8 -","4","0.5","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0608","0.0413","","","0.1076","0.1175","","","","","","1.087","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505316","15.446","0.0006","9.998","0.0008","6.877","0.0014","90","","90","","90","","1062","0.2","90","0.2","90","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H14 N2 O2 -","- C13 H15 N2 O2 -","- C52 H60 N8 O8 -","4","0.5","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.1023","0.0499","","","0.095","0.1112","","","","","","0.976","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505469","16.481","0.003","17.086","0.003","10.267","0.002","90","","90","","90","","2891.1","0.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C56 H74 N12 O11 Zn2 -","- C56 H74 N12 O11 Zn2 -","- C112 H148 N24 O22 Zn4 -","2","0.25","","Mu, Yajuan; Han, Gang; Li, Zhen; Liu, Xiaoting; Hou, Hongwei; Fan, Yaoting","Effect of Organic Polycarboxylate Ligands on the Structures of a Series of Zinc(II) Coordination Polymers Based on a Conformational Bis-triazole Ligand","Crystal Growth & Design","2012","12","3","1193","","10.1021/cg201180u","","","0.71073","MoKα","","0.1061","0.0841","","","0.2007","0.2165","","","","","","1.176","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4506298","11.4153","0.0008","18.4825","0.0018","7.7116","0.0006","90","","90","","90","","1627","0.2","95","2","95","2","","","","","","","","4","P n m a","-P 2ac 2n","62","HMX - 1,2-phenylenediamine","1,3,5,7-tetranitro-1,3,5,7-tetraza-cyclooctane - 1,2-phenylenediamine","","- C10 H16 N10 O8 -","- C10 H16 N10 O8 -","- C40 H64 N40 O32 -","4","0.5","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystals of 1,3,5,7-Tetranitro-1,3,5,7-tetrazacyclooctane (HMX)","Crystal Growth & Design","2012","12","7","3603","","10.1021/cg3004245","","","1.54187","CuKα","","0.1204","0.0636","","","0.15","0.233","","","","","","1.13","","","","has coordinates,has disorder","179598","2020-10-21","18:00:00",""
"4506299","11.4367","0.001","18.7309","0.0015","7.8305","0.0007","90","","90","","90","","1677.4","0.2","95","2","95","2","","","","","","","","4","P n m a","-P 2ac 2n","62","HMX - 3,4-diaminotoluene","1,3,5,7-tetranitro-1,3,5,7-tetraza-cyclooctane - 3,4-diaminotoluene","","- C11 H18 N10 O8 -","- C11 H18 N10 O8 -","- C44 H72 N40 O32 -","4","0.5","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystals of 1,3,5,7-Tetranitro-1,3,5,7-tetrazacyclooctane (HMX)","Crystal Growth & Design","2012","12","7","3603","","10.1021/cg3004245","","","1.54187","CuKα","","0.0969","0.0494","","","0.1235","0.1873","","","","","","1.164","","","","has coordinates,has disorder","179598","2020-10-21","18:00:00",""
"4506301","11.1402","0.0005","19.1745","0.0014","7.6902","0.0003","90","","90","","90","","1642.69","0.15","95","2","95","2","","","","","","","","5","P n m a","-P 2ac 2n","62","HMX - thieno[3,2-b]thiophene","1,3,5,7-tetranitro-1,3,5,7-tetraza-cyclooctane - thieno[3,2-b]thiophene","","- C10 H12 N8 O8 S2 -","- C10 H12 N8 O8 S2 -","- C40 H48 N32 O32 S8 -","4","0.5","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystals of 1,3,5,7-Tetranitro-1,3,5,7-tetrazacyclooctane (HMX)","Crystal Growth & Design","2012","12","7","3603","","10.1021/cg3004245","","","1.54187","CuKα","","0.0376","0.0356","","","0.0977","0.1012","","","","","","1.096","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506360","41.923","0.01","40.358","0.009","16.146","0.004","90","","90","","90","","27318","11","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C160 H209 Co12 N35 O24 S12 -","- C154 H32 Co12 N33 O22 S12 -","- C616 H128 Co48 N132 O88 S48 -","4","0.5","","Xiong, Kecai; Jiang, Feilong; Gai, Yanli; He, Zhangzhen; Yuan, Daqiang; Chen, Lian; Su, Kongzhao; Hong, Maochun","Self-Assembly of Thiacalix[4]arene-Supported Nickel(II)/Cobalt(II) Complexes Sustained by in Situ Generated 5-Methyltetrazolate Ligand","Crystal Growth & Design","2012","12","6","3335","","10.1021/cg300483c","","","0.71073","MoKα","","0.1195","0.0949","","","0.2817","0.3082","","","","","","1.074","","","","has coordinates,has disorder","179599","2020-10-21","18:00:00",""
"4506531","7.902","0.0003","6.912","0.0004","37.353","0.0019","90","","90","","90","","2040.17","0.18","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H33 F6 N2 P -","- C16 H33 F6 N2 P -","- C64 H132 F24 N8 P4 -","4","0.5","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71069","MoKα","","0.1146","0.073","","","0.1982","0.2375","","","","","","1.071","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506532","6.9392","0.0003","7.9029","0.0004","47.448","0.002","90","","90","","90","","2602","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H45 F6 N2 P -","- C22 H45 F6 N2 P -","- C88 H180 F24 N8 P4 -","4","0.5","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71069","MoKα","","0.0976","0.0652","","","0.1737","0.2014","","","","","","1.117","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506534","10.5581","0.0003","8.8016","0.0002","15.1947","0.0003","90","","90","","90","","1412.02","0.06","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H13 Cl3 I2 N2 -","- C7 H13 Cl3 I2 N2 -","- C28 H52 Cl12 I8 N8 -","4","0.5","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71073","MoKα","","0.0367","0.0265","","","0.0463","0.0488","","","","","","1.032","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506536","17.564","0.0007","8.4479","0.0004","13.0119","0.0005","90","","90","","90","","1930.69","0.14","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H25 F6 I2 N2 P -","- C12 H25 F6 I2 N2 P -","- C48 H100 F24 I8 N8 P4 -","4","0.5","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71069","MoKα","","0.0543","0.0488","","","0.1027","0.1048","","","","","","1.179","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506692","37.055","0.002","7.3447","0.0006","7.3447","0.0005","90","","90","","90","","1998.9","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H16 Mn N4 O5 -","- C19 H16 Mn N4 O5 -","- C76 H64 Mn4 N16 O20 -","4","0.5","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Yuste, Consuelo; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Pillaring Role of 4,4′-Azobis(pyridine) in Substituted Malonate-Containing Manganese(II) Complexes: Syntheses, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4505","","10.1021/cg300670a","","x-ray","0.71073","MoKα","","0.1068","0.0797","","","0.2268","0.2418","","","","","","1.125","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506697","22.968","0.004","20.669","0.004","10.6044","0.0018","90","","90","","90","","5034.2","1.6","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H52 Cd4 N8 O26 -","- C32 H27 Cd4 N8 O26 -","- C128 H108 Cd16 N32 O104 -","4","0.5","","Deng, Ji-Hua; Zhong, Di-Chang; Luo, Xu-Zhong; Liu, Hui-Jin; Lu, Tong-Bu","2-Propyl-4,5-dicarboxylate-imidazole (H3PIDC) Based Cadmium(II) Coordination Compounds Stabilized by Supramolecular Interactions: From Mononuclear and Tetranuclear Oligomers to One-Dimensional (1D) Chain and Two-Dimensional (2D) Layer Polymers","Crystal Growth & Design","2012","12","10","4861","","10.1021/cg300678h","","","0.71073","MoKα","","0.1349","0.0528","","","0.1197","0.1656","","","","","","1.01","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506744","9.8973","0.0007","21.2813","0.0015","6.2306","0.0005","90","","90","","90","","1312.34","0.17","291","2","291","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H10 N4 O4 Zn -","- C14 H10 N4 O4 Zn -","- C56 H40 N16 O16 Zn4 -","4","0.5","","Tao, Tao; Lei, Yan-Hua; Peng, Yu-Xin; Wang, Ying; Huang, Wei; Chen, Zhao-Xu; You, Xiao-Zeng","The First Observation of One-Dimensional Naphthalenediimidato-Based Transition-Metal Coordination Polymers: Syntheses, Crystal Structures and Properties","Crystal Growth & Design","2012","12","9","4580","","10.1021/cg300776y","","","0.71073","MoKα","","0.035","0.0283","","","0.0697","0.0724","","","","","","1.013","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506745","9.8973","0.0007","21.2813","0.0015","6.2306","0.0005","90","","90","","90","","1312.34","0.17","291","2","291","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H10 Cd N4 O4 -","- C14 H10 Cd N4 O4 -","- C56 H40 Cd4 N16 O16 -","4","0.5","","Tao, Tao; Lei, Yan-Hua; Peng, Yu-Xin; Wang, Ying; Huang, Wei; Chen, Zhao-Xu; You, Xiao-Zeng","The First Observation of One-Dimensional Naphthalenediimidato-Based Transition-Metal Coordination Polymers: Syntheses, Crystal Structures and Properties","Crystal Growth & Design","2012","12","9","4580","","10.1021/cg300776y","","","0.71073","MoKα","","0.0273","0.0226","","","0.0533","0.0549","","","","","","1.042","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506746","9.9006","0.0014","21.354","0.003","6.226","0.0009","90","","90","","90","","1316.3","0.3","291","2","291","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H10 Co N4 O4 -","- C14 H10 Co N4 O4 -","- C56 H40 Co4 N16 O16 -","4","0.5","","Tao, Tao; Lei, Yan-Hua; Peng, Yu-Xin; Wang, Ying; Huang, Wei; Chen, Zhao-Xu; You, Xiao-Zeng","The First Observation of One-Dimensional Naphthalenediimidato-Based Transition-Metal Coordination Polymers: Syntheses, Crystal Structures and Properties","Crystal Growth & Design","2012","12","9","4580","","10.1021/cg300776y","","","0.71073","MoKα","","0.1231","0.0477","","","0.0542","0.0651","","","","","","0.701","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506945","9.2091","0.0007","22.7532","0.0016","23.0902","0.0012","90","","90","","90","","4838.2","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C43 H41 Cu3 N8 O10 -","- C43 H41 Cu3 N8 O10 -","- C172 H164 Cu12 N32 O40 -","4","0.5","","Liu, Juan; Tan, Yan-Xi; Zhang, Jian","Redox Reaction Induced Structural Transformation among Three Copper Coordination Polymers","Crystal Growth & Design","2012","12","11","5164","","10.1021/cg301120b","","","0.71073","MoKα","","0.1601","0.0851","","","0.2323","0.2755","","","","","","1.011","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4507297","11.1677","0.0005","9.9851","0.0005","6.3098","0.0003","90","","90","","90","","703.61","0.06","10","","10","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Negrier, Philippe; Tamarit, Josep Ll.; Barrio, María; Mondieig, Denise","Polymorphism in Halogen-Ethane Derivatives: CCl3‒CCl3and ClF2C‒CF2Cl","Crystal Growth & Design","2013","13","2","782","","10.1021/cg301498f","","neutron","2.537","Neutron","","","","","","","","","","","","","","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507298","11.2854","0.0006","10.0394","0.0005","6.3627","0.0004","90","","90","","90","","720.89","0.07","150","","150","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Negrier, Philippe; Tamarit, Josep Ll.; Barrio, María; Mondieig, Denise","Polymorphism in Halogen-Ethane Derivatives: CCl3‒CCl3and ClF2C‒CF2Cl","Crystal Growth & Design","2013","13","2","782","","10.1021/cg301498f","","neutron","2.537","Neutron","","","","","","","","","","","","","","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507299","11.5494","0.0009","10.1825","0.0007","6.4002","0.0005","90","","90","","90","","752.67","0.1","296","","296","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Negrier, Philippe; Tamarit, Josep Ll.; Barrio, María; Mondieig, Denise","Polymorphism in Halogen-Ethane Derivatives: CCl3‒CCl3and ClF2C‒CF2Cl","Crystal Growth & Design","2013","13","2","782","","10.1021/cg301498f","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507577","7.464","0.002","25.721","0.007","9.446","0.003","90","","90","","90","","1813.5","0.9","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H15 Cl La N O5 -","- C17 H15 Cl La N O5 -","- C68 H60 Cl4 La4 N4 O20 -","4","0.5","","Jia, Li-Na; Hou, Lei; Wei, Lei; Jing, Xiao-Jing; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Five sra Topological Ln(III)-MOFs Based on Novel Metal-Carboxylate/Cl Chain: Structure, Near-Infrared Luminescence and Magnetic Properties","Crystal Growth & Design","2013","13","4","1570","","10.1021/cg301810y","","","0.71073","MoKα","","0.0426","0.0349","","","0.0855","0.0894","","","","","","1.098","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507578","7.4355","0.0012","25.881","0.004","9.5099","0.0015","90","","90","","90","","1830.1","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H15 Ce Cl N O5 -","- C17 H15 Ce Cl N O5 -","- C68 H60 Ce4 Cl4 N4 O20 -","4","0.5","","Jia, Li-Na; Hou, Lei; Wei, Lei; Jing, Xiao-Jing; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Five sra Topological Ln(III)-MOFs Based on Novel Metal-Carboxylate/Cl Chain: Structure, Near-Infrared Luminescence and Magnetic Properties","Crystal Growth & Design","2013","13","4","1570","","10.1021/cg301810y","","","0.71073","MoKα","","0.0337","0.0319","","","0.0734","0.0744","","","","","","1.121","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507579","7.3702","0.0009","25.843","0.003","9.4821","0.0012","90","","90","","90","","1806","0.4","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H15 Cl N O5 Pr -","- C17 H15 Cl N O5 Pr -","- C68 H60 Cl4 N4 O20 Pr4 -","4","0.5","","Jia, Li-Na; Hou, Lei; Wei, Lei; Jing, Xiao-Jing; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Five sra Topological Ln(III)-MOFs Based on Novel Metal-Carboxylate/Cl Chain: Structure, Near-Infrared Luminescence and Magnetic Properties","Crystal Growth & Design","2013","13","4","1570","","10.1021/cg301810y","","","0.71073","MoKα","","0.0395","0.0314","","","0.0699","0.0729","","","","","","1.073","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507580","7.3481","0.0008","25.927","0.003","9.5122","0.001","90","","90","","90","","1812.2","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H15 Cl N Nd O5 -","- C17 H15 Cl N Nd O5 -","- C68 H60 Cl4 N4 Nd4 O20 -","4","0.5","","Jia, Li-Na; Hou, Lei; Wei, Lei; Jing, Xiao-Jing; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Five sra Topological Ln(III)-MOFs Based on Novel Metal-Carboxylate/Cl Chain: Structure, Near-Infrared Luminescence and Magnetic Properties","Crystal Growth & Design","2013","13","4","1570","","10.1021/cg301810y","","","0.71073","MoKα","","0.0337","0.0302","","","0.069","0.0704","","","","","","1.138","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507581","7.2822","0.0014","25.977","0.005","9.5234","0.0019","90","","90","","90","","1801.5","0.6","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H15 Cl N O5 Sm -","- C17 H15 Cl N O5 Sm -","- C68 H60 Cl4 N4 O20 Sm4 -","4","0.5","","Jia, Li-Na; Hou, Lei; Wei, Lei; Jing, Xiao-Jing; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Five sra Topological Ln(III)-MOFs Based on Novel Metal-Carboxylate/Cl Chain: Structure, Near-Infrared Luminescence and Magnetic Properties","Crystal Growth & Design","2013","13","4","1570","","10.1021/cg301810y","","","0.71073","MoKα","","0.066","0.0508","","","0.1208","0.1321","","","","","","1.104","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507716","6.123","0.005","9.135","0.007","19.405","0.016","90","","90","","90","","1085.4","1.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H13 Cl F2 N2 O2 -","- C8 H13 Cl F2.002 N2 O2 -","- C32 H52 Cl4 F8.008 N8 O8 -","4","0.5","","Shi, Xiaojun; Luo, Junhua; Sun, Zhihua; Li, Shigeng; Ji, Chengmin; Li, Lina; Han, Liang; Zhang, Shuquan; Yuan, Daqiang; Hong, Maochun","Switchable Dielectric Phase Transition Induced by Ordering of Twisting Motion in 1,4-Diazabicyclo[2.2.2]octane Chlorodifluoroacetate","Crystal Growth & Design","2013","13","5","2081","","10.1021/cg400146b","","","0.71073","MoKα","","0.093","0.0888","","","0.2636","0.2684","","","","","","1.109","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507911","20.136","0.0015","17.888","0.0015","12.2967","0.0014","90","","90","","90","","4429.2","0.7","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H19 Cu I N2 O5 -","- C21 H19 Cu I N2 O5 -","- C168 H152 Cu8 I8 N16 O40 -","8","1","","Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect","Crystal Growth & Design","2013","13","8","3353","","10.1021/cg400033s","","","0.71073","MoKα","","0.0575","0.0416","","","0.0943","0.102","","","","","","1.044","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4508133","18.5987","0.0007","4.6616","0.0002","7.4669","0.0003","90","","90","","90","","647.38","0.05","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au2 Eu In4 -","- Au2 Eu In4 -","- Au8 Eu4 In16 -","4","0.5","","Sarkar, Sumanta; Gutmann, Matthias J.; Peter, Sebastian C.","Crystal Structure and Magnetic Properties of Indium Flux Grown EuAu2In4and EuAuIn4","Crystal Growth & Design","2013","13","10","4285","","10.1021/cg400619p","","","0.71073","MoKα","","0.0414","0.0367","","","0.0961","0.101","","","","","","1.077","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508228","7.7147","0.0007","14.2718","0.0014","12.3156","0.0011","90","","90","","90","","1356","0.2","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 Cu F6 N2 O2 Ti -","- C10 H12 Cu F6 N2 O2 Ti -","- C40 H48 Cu4 F24 N8 O8 Ti4 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0299","0.0275","","","0.0751","0.0768","","","","","","1.084","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508229","7.702","0.0003","14.275","0.0006","12.2064","0.0005","90","","90","","90","","1342.05","0.09","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 Cu F5 N2 O3 V -","- C10 H12 Cu F5 N2 O3 V -","- C40 H48 Cu4 F20 N8 O12 V4 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0192","0.0178","","","0.0523","0.0532","","","","","","1.111","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508230","7.8427","0.0003","14.319","0.0005","12.3773","0.0004","90","","90","","90","","1389.97","0.08","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 Cu F5 N2 Nb O3 -","- C10 H12 Cu F5.01 N2 Nb O2.99 -","- C40 H48 Cu4 F20.04 N8 Nb4 O11.96 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0237","0.0214","","","0.0571","0.0583","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508231","7.8477","0.0001","14.2825","0.0003","12.2493","0.0002","90","","90","","90","","1372.96","0.04","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 Cu F4 Mo N2 O4 -","- C10 H12 Cu F4 Mo N2 O4 -","- C40 H48 Cu4 F16 Mo4 N8 O16 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0182","0.0179","","","0.0507","0.0513","","","","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508232","7.6419","0.0003","14.4551","0.0006","12.5756","0.0005","90","","90","","90","","1389.16","0.1","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 F4 Mo N2 O4 Zn -","- C10 H12 F3.99 Mo N2 O4.01 Zn -","- C40 H48 F15.96 Mo4 N8 O16.04 Zn4 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0236","0.0209","","","0.0537","0.0558","","","","","","1.106","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508233","7.623","0.0004","14.4632","0.0007","12.6904","0.0006","90","","90","","90","","1399.15","0.12","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 F4 N2 O4 W Zn -","- C10 H12 F3.99 N2 O4.01 W Zn -","- C40 H48 F15.96 N8 O16.04 W4 Zn4 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0346","0.0293","","","0.0747","0.0774","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508527","17.4536","0.0002","14.005","0.0004","10.2555","0.0005","90","","90","","90","","2506.83","0.14","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","α-naphthoxy-boronsubphthalocyanine","(1-naphthoxy)(subphthalocyaninato)boron","","- C34 H19 B N6 O -","- C34 H19 B N6 O -","- C136 H76 B4 N24 O4 -","4","0.5","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Utilizing the π-Acidity of Boron Subphthalocyanine To Achieve Novel Solid-State Arrangements","Crystal Growth & Design","2013","13","12","5368","","10.1021/cg4012795","","","0.71073","MoKα","","0.1298","0.0957","","","0.2025","0.2156","","","","","","1.155","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508528","17.1461","0.0008","13.9303","0.0004","10.3758","0.0004","90","","90","","90","","2478.26","0.17","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","β-naphthoxy-boronsubphthalocyanine","(2-naphthoxy)(subphthalocyaninato)boron","","- C34 H19 B N6 O -","- C34 H19 B N6 O -","- C136 H76 B4 N24 O4 -","4","0.5","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Utilizing the π-Acidity of Boron Subphthalocyanine To Achieve Novel Solid-State Arrangements","Crystal Growth & Design","2013","13","12","5368","","10.1021/cg4012795","","","0.71073","MoKα","","0.0673","0.0452","","","0.107","0.1186","","","","","","1.029","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508564","11.56","0.003","7.4129","0.0017","15.161","0.004","90","","90","","90","","1299.2","0.6","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H10 F6 N2 -","- C13 H10 F6 N2 -","- C52 H40 F24 N8 -","4","0.5","","Harada, Naomi; Karasawa, Satoru; Matsumoto, Taisuke; Koga, Noboru","Thermal Single Crystal to Single Crystal Transformation among Crystal Polymorphs in 2-Dimethylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine and in a 1-Quinoline Analogue","Crystal Growth & Design","2013","13","11","4705","","10.1021/cg401386b","","","0.71069","MoKα","","","0.0558","","","","0.173","","","","","","1.112","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508623","12.175","0.002","5.6591","0.0011","7.1287","0.0014","90","","90","","90","","491.16","0.16","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Cu2 O10 Y4 -","- Ba2 Cu2 O10 Y4 -","- Ba4 Cu4 O20 Y8 -","2","0.25","","Mele, P.; Ubaldini, A.; Carnasciali, M. M.; Costa, G. A.; Scavini, M.","Growth and Structural Characterization of Needlelike Crystals in the Y−Ba−Cu−O System","Crystal Growth & Design","2006","6","8","1761","","10.1021/cg050519c","","","0.71073","MoKα","","0.0417","0.0326","","","0.0666","0.0695","","","","","","1.028","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508635","11.303","","26.8081","0.001","24.337","0.001","90","","90","","90","","7374.4","0.4","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H38 Cd2 Cl0.5 N4 Na0.5 O13 -","- C34 H24 Cd2 Cl0.5 N4 Na0.5 O13 -","- C272 H192 Cd16 Cl4 N32 Na4 O104 -","8","1","","Wang, Ruihu; Yuan, Daqiang; Jiang, Feilong; Han, Lei; Gong, Yaqiong; Hong, Maochun","Anion Effect on the Structural Conformation of Tetranuclear Cadmium(II) Complexes","Crystal Growth & Design","2006","6","6","1351","","10.1021/cg0505970","","","0.71073","MoKα","","0.0587","0.0518","","","0.1318","0.1367","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509031","5.0869","0.001","10.533","0.002","17.686","0.004","90","","90","","90","","947.6","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Co0.19 Li0.93 Mo1.5 O6 Zn0.88 -","- Co0.19215 Li0.924 Mo1.5 O6 Zn0.88295 -","- Co1.5372 Li7.392 Mo12 O48 Zn7.0636 -","8","1","","Xue, Liping; Wang, Yongjing; Lv, Peiwen; Chen, Dagui; Lin, Zhang; Liang, Jingkui; Huang, Feng; Xie, Zhi","Growth, Structures, and Properties of Li2Zn2(MoO4)3and Co-doped Li2Zn2(MoO4)3","Crystal Growth & Design","2009","9","2","914","","10.1021/cg800700h","","","0.71073","MoKα","","0.0267","0.0236","","","0.0861","0.0943","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509032","5.1042","0.001","10.506","0.002","17.638","0.003","90","","90","","90","","945.8","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li7.82 Mo12 O48 Zn8.18 -","- Li7.824 Mo12 O48 Zn8.1688 -","- Li7.824 Mo12 O48 Zn8.1688 -","1","0.125","","Xue, Liping; Wang, Yongjing; Lv, Peiwen; Chen, Dagui; Lin, Zhang; Liang, Jingkui; Huang, Feng; Xie, Zhi","Growth, Structures, and Properties of Li2Zn2(MoO4)3and Co-doped Li2Zn2(MoO4)3","Crystal Growth & Design","2009","9","2","914","","10.1021/cg800700h","","","0.71073","MoKα","","0.0222","0.0198","","","0.0512","0.0525","","","","","","1.047","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509480","7.9247","0.0012","10.2187","0.0015","9.5383","0.0014","90","","90","","90","","772.4","0.2","294","2","294","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C7 H2 Nd O6 -","- C7 H2 Nd O6 -","- C28 H8 Nd4 O24 -","4","0.5","","Fang, Ming; Chang, Lixian; Liu, Xuhui; Zhao, Bin; Zuo, Ya; Chen, Zhi","Fabrication and Properties of Eight Novel Lanthanide−Organic Frameworks Based on 4-Hydroxypyran-2,6-dicarboxylate and 4-Hydroxypyridine-2,6-dicarboxylate","Crystal Growth & Design","2009","9","9","4006","","10.1021/cg900146y","","","0.71073","MoKα","","0.0242","0.0219","","","0.0579","0.0589","","","","","","1.166","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509482","7.9263","0.0014","10.2173","0.0018","9.5413","0.0017","90","","90","","90","","772.7","0.2","294","2","294","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C7 H2 O6 Sm -","- C7 H2 O6 Sm -","- C28 H8 O24 Sm4 -","4","0.5","","Fang, Ming; Chang, Lixian; Liu, Xuhui; Zhao, Bin; Zuo, Ya; Chen, Zhi","Fabrication and Properties of Eight Novel Lanthanide−Organic Frameworks Based on 4-Hydroxypyran-2,6-dicarboxylate and 4-Hydroxypyridine-2,6-dicarboxylate","Crystal Growth & Design","2009","9","9","4006","","10.1021/cg900146y","","","0.71073","MoKα","","0.0256","0.0247","","","0.0624","0.063","","","","","","1.109","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509483","7.9153","0.0018","10.228","0.002","9.528","0.002","90","","90","","90","","771.4","0.3","294","2","294","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C7 H2 O6 Pr -","- C7 H2 O6 Pr -","- C28 H8 O24 Pr4 -","4","0.5","","Fang, Ming; Chang, Lixian; Liu, Xuhui; Zhao, Bin; Zuo, Ya; Chen, Zhi","Fabrication and Properties of Eight Novel Lanthanide−Organic Frameworks Based on 4-Hydroxypyran-2,6-dicarboxylate and 4-Hydroxypyridine-2,6-dicarboxylate","Crystal Growth & Design","2009","9","9","4006","","10.1021/cg900146y","","","0.71073","MoKα","","0.0218","0.0191","","","0.0519","0.0535","","","","","","1.163","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509485","19.476","0.005","10.024","0.003","4.306","0.0012","90","","90","","90","","840.6","0.4","294","2","294","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C7 H4 Ho O7 -","- C7 H2 Ho O7 -","- C28 H8 Ho4 O28 -","4","0.5","","Fang, Ming; Chang, Lixian; Liu, Xuhui; Zhao, Bin; Zuo, Ya; Chen, Zhi","Fabrication and Properties of Eight Novel Lanthanide−Organic Frameworks Based on 4-Hydroxypyran-2,6-dicarboxylate and 4-Hydroxypyridine-2,6-dicarboxylate","Crystal Growth & Design","2009","9","9","4006","","10.1021/cg900146y","","","0.71073","MoKα","","0.0404","0.0358","","","0.0961","0.1009","","","","","","1.127","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509625","8.4181","0.0013","45.214","0.007","9.743","0.0015","90","","90","","90","","3708.3","1","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H30 Cd Cl2 Fe2 O8 -","- C35 H24 Cd Cl2 Fe2 O8 -","- C140 H96 Cd4 Cl8 Fe8 O32 -","4","0.5","","Li, Jinpeng; Li, Linke; Hou, Hongwei; Fan, Yaoting","Study on the Reaction of Polymeric Zinc Ferrocenyl Carboxylate with Pb(II) or Cd(II)","Crystal Growth & Design","2009","9","10","4504","","10.1021/cg9005218","","","0.71073","MoKα","","0.0824","0.0723","","","0.2023","0.2101","","","","","","1.186","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4510055","27.73","0.003","11.6608","0.0011","5.118","0.0005","90","","90","","90","","1654.9","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H24 Co O10 -","- C15 H16 Co O10 -","- C60 H64 Co4 O40 -","4","0.5","","Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi","Secondary Building Unit (SBU) Controlled Formation of a Catalytically Active Metal‒Organic Polyhedron (MOP) Derived from a Flexible Tripodal Ligand","Crystal Growth & Design","2014","14","3","1331","","10.1021/cg4018322","","","0.71073","MoKα","","0.0466","0.0444","","","0.1566","0.1597","","","","","","1.353","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510300","12.867","0.015","9.93","0.012","8.001","0.009","90","","90","","90","","1022","2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","K1.7Na1.3B6O10Br","","","- B6 Br K1.7 Na1.3 O10 -","- B6 Br K1.697 Na1.303 O10 -","- B24 Br4 K6.788 Na5.212 O40 -","4","0.5","","Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan","Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property","Crystal Growth & Design","2014","14","4","1794","","10.1021/cg4019103","","","0.71073","MoKα","","0.0667","0.0447","","","0.1018","0.1171","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510301","12.818","0.003","10.041","0.002","7.5413","0.0019","90","","90","","90","","970.6","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","K0.80Na2.20B6O10Br","","","- B6 Br K0.8 Na2.2 O10 -","- B6 Br K0.801 Na2.199 O10 -","- B24 Br4 K3.204 Na8.796 O40 -","4","0.5","","Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan","Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property","Crystal Growth & Design","2014","14","4","1794","","10.1021/cg4019103","","","0.71073","MoKα","","0.0534","0.0387","","","0.1144","0.142","","","","","","1.154","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510380","10.018","0.009","35.527","0.003","9.37","0.08","90","","90","","90","","3335","3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H7 Co N4 O2 -","- C9 H7 Co N4 O2 -","- C72 H56 Co8 N32 O16 -","8","1","","Liu, Bo; Shi, Jingtao; Yue, Ke-Fen; Li, Dong-Sheng; Wang, Yao-Yu","Distinct Temperature-Dependent CO2Sorption of Two Isomeric Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","4","2003","","10.1021/cg500121f","","","0.71069","MoKα","","0.169","0.0928","","","0.2237","0.2414","","","","","","1.066","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510463","15.2339","0.0004","33.4083","0.001","14.3529","0.0004","90","","90","","90","","7304.7","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H52 Dy5 K5 N10 O66 -","- C40 Dy5 K5 N10 O66 -","- C160 Dy20 K20 N40 O264 -","4","0.5","","Zhang, Fengming; Yan, Pengfei; Zou, Xiaoyan; Zhang, Juwen; Hou, Guangfeng; Li, Guangming","Novel 3D Alkali‒Lanthanide Heterometal‒Organic Frameworks with Pyrazine-2,3,5,6-tetracarboxylic Acid: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2014","14","4","2014","","10.1021/cg5001254","","","0.71073","MoKα","","0.0538","0.0444","","","0.0919","0.0966","","","","","","1.231","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510464","15.203","0.003","33.371","0.007","14.395","0.003","90","","90","","90","","7303","3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H52 Ho5 K5 N10 O66 -","- C40 Ho5 K5 N10 O66 -","- C160 Ho20 K20 N40 O264 -","4","0.5","","Zhang, Fengming; Yan, Pengfei; Zou, Xiaoyan; Zhang, Juwen; Hou, Guangfeng; Li, Guangming","Novel 3D Alkali‒Lanthanide Heterometal‒Organic Frameworks with Pyrazine-2,3,5,6-tetracarboxylic Acid: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2014","14","4","2014","","10.1021/cg5001254","","","0.71073","MoKα","","0.0485","0.0316","","","0.0729","0.0814","","","","","","1.029","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510465","15.0646","0.0003","33.0834","0.0008","14.4068","0.0003","90","","90","","90","","7180.2","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H52 K5 N10 O66 Yb5 -","- C40 K5 N10 O66 Yb5 -","- C160 K20 N40 O264 Yb20 -","4","0.5","","Zhang, Fengming; Yan, Pengfei; Zou, Xiaoyan; Zhang, Juwen; Hou, Guangfeng; Li, Guangming","Novel 3D Alkali‒Lanthanide Heterometal‒Organic Frameworks with Pyrazine-2,3,5,6-tetracarboxylic Acid: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2014","14","4","2014","","10.1021/cg5001254","","","0.71073","MoKα","","0.0565","0.0466","","","0.0894","0.0936","","","","","","1.165","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510745","8.244","0.0006","11.7351","0.0011","8.1982","0.0008","90","","90","","90","","793.13","0.12","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Cesium Lead Bromide","","","- Br3 Cs Pb -","- Br3 Cs Pb -","- Br12 Cs4 Pb4 -","4","0.5","","Stoumpos, Constantinos C.; Malliakas, Christos D.; Peters, John A.; Liu, Zhifu; Sebastian, Maria; Im, Jino; Chasapis, Thomas C.; Wibowo, Arief C.; Chung, Duck Young; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Crystal Growth of the Perovskite Semiconductor CsPbBr3: A New Material for High-Energy Radiation Detection","Crystal Growth & Design","2013","13","7","2722","","10.1021/cg400645t","","","0.71073","MoKα","","0.0458","0.0376","","","0.0891","0.0922","","","","","","1.276","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510930","6.5942","0.0004","13.5455","0.0009","8.0423","0.0003","90","","90","","90","","718.35","0.07","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","phloroglucinol dihydrate","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","0.5","","Thomas, Lynne H.; Craig, Gavin A.; Morrison, Carole A.; Reilly, Anthony M.; Wilson, Chick C.","New Route to Local Order Models for Disordered Crystalline Materials: Diffuse Scattering and Computational Modeling of Phloroglucinol Dihydrate","Crystal Growth & Design","2011","11","6","2045","","10.1021/cg101704h","","","0.71075","MoKα","","0.0362","0.0357","","","","0.1086","","","","","","1.132","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4511101","7.6071","0.0002","14.6486","0.0003","11.1213","0.0002","90","","90","","90","","1239.28","0.05","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H12 Mn2 O10 -","- C10 H12 Mn2 O10 -","- C40 H48 Mn8 O40 -","4","0.5","","Wang, Jing; Ou, Yong-Cong; Shen, Yong; Yun, Lei; Leng, Ji-Dong; Lin, Zhuojia; Tong, Ming-Liang","Coordination Chemistry of Cyclohexane-1,2,4,5-tetracarboxylate (H4L). Synthesis, Structure, and Magnetic Properties of Metal-Organic Frameworks with Conformation-Flexible H4L Ligand","Crystal Growth & Design","2009","9","5","2442","","10.1021/cg801348n","","","1.54178","CuKα","","0.154","0.1302","","","0.3195","0.3386","","","","","","1.071","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511148","8.5223","0.0009","17.157","0.0019","10.5244","0.0011","90","","90","","90","","1538.8","0.3","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H18 N6 O7 S Zn -","- C8 H18 N6 O7 S Zn -","- C32 H72 N24 O28 S4 Zn4 -","4","0.5","","Liu, Xun-Gao; Wang, Li-Yan; Zhu, Xia; Li, Bao-Long; Zhang, Yong","Structural Versatility of Eight Zinc(II) Coordination Polymers Constructed with a Long Flexible Ligand 1,4-Bis(1,2,4-triazol-1-yl)butane","Crystal Growth & Design","2009","9","9","3997","","10.1021/cg900134f","","","0.71073","MoKα","","0.0294","0.0285","","","0.0762","0.0767","","","","","","1.083","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511439","23.14","0.003","14.94","0.003","9.609","0.001","90","","90","","90","","3321.9","0.9","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C37 H34 Cl4 O5 -","- C37 H34 Cl5 O5 -","- C148 H136 Cl20 O20 -","4","0.5","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Varying the Interplay of Calix[5]arenes through Chloromethane Inclusion","Crystal Growth & Design","2006","6","12","2783","","10.1021/cg0605279","","","0.71073","MoKα","","0.1092","0.0929","","","0.2544","0.2773","","","","","","1.068","","","","has coordinates,has disorder","179661","2020-10-21","18:00:00",""
"4511446","5.7005","0.0012","7.8968","0.0017","5.5242","0.0012","90","","90","","90","","248.68","0.09","294","1","294","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- La O3 Rh -","- La O3 Rh -","- La4 O12 Rh4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0356","0.029","","","0.0567","0.0588","","","","","","1.141","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511447","5.7405","0.0002","7.8032","0.0003","5.4167","0.0002","90","","90","","90","","242.637","0.015","294","1","294","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O3 Pr Rh -","- O3 Pr Rh -","- O12 Pr4 Rh4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0252","0.0221","","","0.044","0.0447","","","","","","1.161","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511448","5.7524","0.0003","7.7703","0.0004","5.3758","0.0003","90","","90","","90","","240.29","0.02","294","1","294","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Nd O3 Rh -","- Nd O3 Rh -","- Nd4 O12 Rh4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0309","0.0282","","","0.0623","0.0632","","","","","","1.105","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511449","5.7566","0.0003","7.7084","0.0004","5.3231","0.0003","90","","90","","90","","236.21","0.02","294","1","294","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O3 Rh Sm -","- O3 Rh Sm -","- O12 Rh4 Sm4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.033","0.0295","","","0.0553","0.0564","","","","","","1.115","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511450","5.7574","0.0003","7.6786","0.0004","5.2978","0.0003","90","","90","","90","","234.21","0.02","294","1","294","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu O3 Rh -","- Eu O3 Rh -","- Eu4 O12 Rh4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0255","0.0246","","","0.0569","0.0574","","","","","","1.141","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511451","5.7454","0.0003","7.6254","0.0005","5.2538","0.0003","90","","90","","90","","230.17","0.02","294","1","294","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O3 Rh Tb -","- O3 Rh Tb -","- O12 Rh4 Tb4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0355","0.0295","","","0.05","0.0512","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511514","7.5093","0.0011","9.912","0.0013","17.457","0.002","90","","90","","90","","1299.4","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H6 Cl N9 Zn2 -","- C6 H6 Cl N9 Zn2 -","- C24 H24 Cl4 N36 Zn8 -","4","0.5","","Zhai, Quan-Guo; Wu, Xiao-Yuan; Chen, Shu-Mei; Lu, Can-Zhong; Yang, Wen-Bin","Construction of Cd/Zn(II)-1,2,4-Triazolate Coordination Complexes via Changing Substituents and Anions","Crystal Growth & Design","2006","6","9","2126","","10.1021/cg060359k","","","0.71073","MoKα","","0.0755","0.0595","","","0.1158","0.1247","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511640","31.0331","0.0013","10.0992","0.0003","16.5477","0.0007","90","","90","","90","","5186.2","0.3","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H59 O40 Tb U3 -","- C27 H33 O40 Tb U3 -","- C108 H132 O160 Tb4 U12 -","4","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0516","0.0385","","","0.0973","0.1015","","","","","","1.047","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511649","11.3416","0.0001","15.1979","0.0001","14.7404","0.0001","90","","90","","90","","2540.78","0.03","293","2","293","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","","","- C12 H4 Mn2 N10 O12 W -","- C12 H4 Mn2 N10 O12 W -","- C48 H16 Mn8 N40 O48 W4 -","4","0.5","","Podgajny, Robert; Pinkowicz, Dawid; Czarnecki, Bernard; Kozieł, Marcin; Chorąży, Szymon; Wis, Magdalena; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Role of Pyrazine-N,N′-dioxide in [W(CN)8]n−-Based Hybrid Networks: Anion−π Interactions","Crystal Growth & Design","2014","14","8","4030","","10.1021/cg500636m","","","0.71073","MoKα","","0.0339","0.0283","","","0.0742","0.0779","","","","","","1.057","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511675","22.3659","0.001","7.2649","0.0005","7.2828","0.0003","90","","90","","90","","1183.35","0.11","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H10 N2 O6 Zn -","- C9 H10 N2 O6 Zn -","- C36 H40 N8 O24 Zn4 -","4","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0341","0.0299","","","0.0812","0.0843","","","","","","1","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4512171","15.1342","0.0004","28.3983","0.0007","9.3718","0.0003","90","","90","","90","","4027.86","0.19","90","","90","","","","","","","","","4","P n m a","-P 2ac 2n","62","SCID_90K","1,3-diethyl-spiro[imidazolidine-2,2'-[2H]indene]-1',3'-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C180 H216 N24 O24 -","12","1.5","","Suzuki, Mitsuaki; Maeda, Yutaka; Akita, Motoko; Teramae, Hiroyuki; Kobayashi, Keiji","Polymorphs Related by an Enantiotropic Phase Transition but Having Only Order‒Disorder-Level Conformational Differences in a Spiro-Conjugated Imidazolidine Ring Compound","Crystal Growth & Design","2014","14","12","6302","","10.1021/cg501060w","","","0.71073","MoKα","","0.0523","0.041","","","0.1018","0.1094","","","","","","1.022","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512172","15.1497","0.0004","28.4586","0.0008","9.3889","0.0002","90","","90","","90","","4047.92","0.18","120","","120","","","","","","","","","4","P n m a","-P 2ac 2n","62","SCID_120K","1,3-diethyl-spiro[imidazolidine-2,2'-[2H]indene]-1',3'-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C180 H216 N24 O24 -","12","1.5","","Suzuki, Mitsuaki; Maeda, Yutaka; Akita, Motoko; Teramae, Hiroyuki; Kobayashi, Keiji","Polymorphs Related by an Enantiotropic Phase Transition but Having Only Order‒Disorder-Level Conformational Differences in a Spiro-Conjugated Imidazolidine Ring Compound","Crystal Growth & Design","2014","14","12","6302","","10.1021/cg501060w","","","0.71073","MoKα","","0.0462","0.0411","","","0.118","0.1229","","","","","","1.079","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512173","15.3","0.0004","28.9002","0.0007","9.3993","0.0002","90","","90","","90","","4156.12","0.17","160","","160","","","","","","","","","4","P n m a","-P 2ac 2n","62","SCID_160K","1,3-diethyl-spiro[imidazolidine-2,2'-[2H]indene]-1',3'-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C180 H216 N24 O24 -","12","1.5","","Suzuki, Mitsuaki; Maeda, Yutaka; Akita, Motoko; Teramae, Hiroyuki; Kobayashi, Keiji","Polymorphs Related by an Enantiotropic Phase Transition but Having Only Order‒Disorder-Level Conformational Differences in a Spiro-Conjugated Imidazolidine Ring Compound","Crystal Growth & Design","2014","14","12","6302","","10.1021/cg501060w","","","0.71073","MoKα","","0.0747","0.06","","","0.1649","0.1805","","","","","","1.044","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512174","15.3886","0.0008","29.0676","0.0015","9.421","0.0005","90","","90","","90","","4214.1","0.4","200","","200","","","","","","","","","4","P n m a","-P 2ac 2n","62","SCID_200K","1,3-diethyl-spiro[imidazolidine-2,2'-[2H]indene]-1',3'-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C180 H216 N24 O24 -","12","1.5","","Suzuki, Mitsuaki; Maeda, Yutaka; Akita, Motoko; Teramae, Hiroyuki; Kobayashi, Keiji","Polymorphs Related by an Enantiotropic Phase Transition but Having Only Order‒Disorder-Level Conformational Differences in a Spiro-Conjugated Imidazolidine Ring Compound","Crystal Growth & Design","2014","14","12","6302","","10.1021/cg501060w","","","0.71073","MoKα","","0.0841","0.0697","","","0.2047","0.2206","","","","","","1.03","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512175","15.185","0.002","28.522","0.006","9.4017","0.0017","90","","90","","90","","4071.9","1.3","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3-diethyl-spiro[imidazolidine-2,2'-[2H]indene]-1',3'-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C180 H216 N24 O24 -","12","1.5","","Suzuki, Mitsuaki; Maeda, Yutaka; Akita, Motoko; Teramae, Hiroyuki; Kobayashi, Keiji","Polymorphs Related by an Enantiotropic Phase Transition but Having Only Order‒Disorder-Level Conformational Differences in a Spiro-Conjugated Imidazolidine Ring Compound","Crystal Growth & Design","2014","14","12","6302","","10.1021/cg501060w","","","0.71075","MoKα","","0.0551","0.0419","","","0.1014","0.107","","","","","","1.059","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512176","15.292","0.002","28.88","0.005","9.3947","0.0015","90","","90","","90","","4149","1.1","163","2","163","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3-diethyl-spiro[imidazolidine-2,2'-[2H]indene]-1',3'-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C180 H216 N24 O24 -","12","1.5","","Suzuki, Mitsuaki; Maeda, Yutaka; Akita, Motoko; Teramae, Hiroyuki; Kobayashi, Keiji","Polymorphs Related by an Enantiotropic Phase Transition but Having Only Order‒Disorder-Level Conformational Differences in a Spiro-Conjugated Imidazolidine Ring Compound","Crystal Growth & Design","2014","14","12","6302","","10.1021/cg501060w","","","0.71075","MoKα","","0.0739","0.0532","","","0.1304","0.1403","","","","","","1.055","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512193","14.1567","0.0004","7.4304","0.0002","8.4823","0.0003","90","","90","","90","","892.25","0.05","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H6 Br2 O -","- C9 H6 Br2 O -","- C36 H24 Br8 O4 -","4","0.5","","Pavan, Mysore Srinivas; Pal, Rumpa; Nagarajan, K.; Guru Row, Tayur N.","Characterization of Interactions Involving Bromine in 2,2-Dibromo-2,3-dihydroinden-1-one via Experimental Charge Density Analysis","Crystal Growth & Design","2014","14","11","5477","","10.1021/cg500659c","","","0.71073","MoKα","","0.0512","0.0265","","","0.0511","0.0582","","","","","","1.042","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512371","19.191","0.004","13.172","0.003","7.9418","0.0016","90","","90","","90","","2007.6","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H21 N5 O7 S2 -","- C15 H19 N5 O7 S2 -","- C60 H76 N20 O28 S8 -","4","0.5","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0861","0.0641","","","0.1445","0.155","","","","","","1.14","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512372","18.712","0.004","13.224","0.003","8.1214","0.0016","90","","90","","90","","2009.6","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H23 N5 O7 S2 -","- C16 H21 N5 O7 S2 -","- C64 H84 N20 O28 S8 -","4","0.5","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0654","0.0531","","","0.1263","0.1328","","","","","","1.119","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512399","9.965","0.004","8.17","0.003","10.155","0.004","90","","90","","90","","826.8","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H8 N O7 P2 Tb -","- C3 H8 N O7 P2 Tb -","- C12 H32 N4 O28 P8 Tb4 -","4","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 3D Lanthanide Phosphonates: Syntheses, Crystal Structure, Thermal Stability, Luminescence, and Magnetism","Crystal Growth & Design","2014","14","12","6197","","10.1021/cg501355t","","","0.71073","MoKα","","0.0259","0.0251","","","0.0652","0.0655","","","","","","1.098","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512400","9.9759","0.0014","8.2021","0.0017","10.2816","0.0016","90","","90","","90","","841.3","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H8 N O7 P2 Sm -","- C3 H8 N O7 P2 Sm -","- C12 H32 N4 O28 P8 Sm4 -","4","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 3D Lanthanide Phosphonates: Syntheses, Crystal Structure, Thermal Stability, Luminescence, and Magnetism","Crystal Growth & Design","2014","14","12","6197","","10.1021/cg501355t","","","0.71073","MoKα","","0.0291","0.0284","","","0.065","0.0653","","","","","","1.048","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512401","9.9906","0.001","8.1942","0.0009","10.2599","0.0012","90","","90","","90","","839.93","0.16","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H8 Eu N O7 P2 -","- C3 H8 Eu N O7 P2 -","- C12 H32 Eu4 N4 O28 P8 -","4","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 3D Lanthanide Phosphonates: Syntheses, Crystal Structure, Thermal Stability, Luminescence, and Magnetism","Crystal Growth & Design","2014","14","12","6197","","10.1021/cg501355t","","","0.71073","MoKα","","0.0302","0.029","","","0.0692","0.0698","","","","","","1.067","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512438","12.9349","0.0005","21.0223","0.0009","13.1337","0.0006","90","","90","","90","","3571.3","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H32 Cl4 N10 O6 Sn -","- C28 H32 Cl4 N10 O6 Sn -","- C112 H128 Cl16 N40 O24 Sn4 -","4","0.5","","Kundu, Subrata; Mohapatra, Balaram; Mohapatra, Chandrajeet; Verma, Sandeep; Chandrasekhar, Vadapalli","Polymeric, Molecular and Ionic Organotin Complexes Containing Hypoxanthine, Adenine and 2-Aminopurine. Synthesis and Supramolecular Structures","Crystal Growth & Design","2015","15","1","247","","10.1021/cg501322w","","","0.71073","MoKα","","0.0702","0.0628","","","0.1599","0.164","","","","","","1.274","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512518","9.8263","0.0012","8.162","0.005","6.9926","0.0008","90","","90","","90","","560.8","0.4","294","0.5","294","0.5","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C6 H14 -","- C6 H14 -","- C24 H56 -","4","0.5","","Bąk, Joanna M.; Gajda, Roman; Woźniak, Krzysztof","New High Pressure Crystal Structures of 2,2-Dimethylbutane and 2,3-Dimethylaniline: Combined X-ray, Raman, and Theoretical Studies","Crystal Growth & Design","2015","15","1","45","","10.1021/cg500998g","","","0.56085","AgKα","","0.0768","0.0499","","","0.086","0.094","","","","","","1.16","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512619","26.3712","0.0009","10.1433","0.0005","7.9013","0.0003","90","","90","","90","","2113.53","0.15","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Piperazine-1,4-diium hexabromidorhodate(III) bromide monohydrate","","- C8 H26 Br7 N4 O Rh -","- C8 H26 Br7 N4 O Rh -","- C32 H104 Br28 N16 O4 Rh4 -","4","0.5","","Bujak, Maciej","Efficient Diffusion-Controlled Ligand Exchange Crystal Growth of Isostructural Inorganic‒Organic Halogenidorhodates(III): The Missing Hexaiodidorhodate(III) Anion","Crystal Growth & Design","2015","15","3","1295","","10.1021/cg501694d","","","0.71073","MoKα","","0.0367","0.0203","","","0.0343","0.0359","","","","","","0.94","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512620","27.4238","0.0009","10.5512","0.0004","8.3875","0.0003","90","","90","","90","","2426.96","0.15","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Piperazine-1,4-diium hexaiodidorhodate(III) iodide monohydrate","","- C8 H26 I7 N4 O Rh -","- C8 H26 I7 N4 O Rh -","- C32 H104 I28 N16 O4 Rh4 -","4","0.5","","Bujak, Maciej","Efficient Diffusion-Controlled Ligand Exchange Crystal Growth of Isostructural Inorganic‒Organic Halogenidorhodates(III): The Missing Hexaiodidorhodate(III) Anion","Crystal Growth & Design","2015","15","3","1295","","10.1021/cg501694d","","","0.71073","MoKα","","0.031","0.0196","","","0.0353","0.0373","","","","","","0.995","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512916","11.794","0.002","8.5762","0.0017","22.099","0.004","90","","90","","90","","2235.3","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- F2 K2 O10 Si4 Th -","- F2 K2 O10 Si4 Th -","- F16 K16 O80 Si32 Th8 -","8","1","","Mann, J. Matthew; McMillen, Colin D.; Kolis, Joseph W.","Crystal Chemistry of Alkali Thorium Silicates Under Hydrothermal Conditions","Crystal Growth & Design","2015","15","6","2643","","10.1021/cg5017164","","","0.71073","MoKα","","0.0488","0.0382","","","0.0893","0.0954","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513482","10.1382","0.0008","12.666","0.001","14.0264","0.0012","90","","90","","90","","1801.1","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8.5 H11.5 Cl0.5 Li0.5 N1.5 O1.5 -","- C8.5 H11.5 Cl0.5 Li0.5 N1.5 O1.5 -","- C68 H92 Cl4 Li4 N12 O12 -","8","1","","Ziach, Krzysztof; Jurczak, Janusz","Chiral Crystals from Dynamic Combinatorial Libraries of Achiral Macrocyclic Imines","Crystal Growth & Design","2015","15","9","4372","","10.1021/acs.cgd.5b00658","","","0.71073","MoKα","","0.0382","0.0295","","","0.082","0.0844","","","","","","1.071","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513637","15.444","0.008","17.895","0.01","8.979","0.005","90","","90","","90","","2482","2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H29 N7 O14 P2 Zn2 -","- C14 H8 N7 O14 P2 Zn2 -","- C56 H32 N28 O56 P8 Zn8 -","4","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Two New Zinc Phosphonates with Triazine-Based Phosphonic Acids","Crystal Growth & Design","2015","15","10","5021","","10.1021/acs.cgd.5b00983","","","0.71073","MoKα","","0.0697","0.0617","","","0.1548","0.1594","","","","","","1.195","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513682","15.508","0.011","19.22","0.013","25.211","0.017","90","","90","","90","","7514","9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H40 N10 O15 Zn5 -","- C39 H40 N10 O15 Zn5 -","- C156 H160 N40 O60 Zn20 -","4","0.5","","Deng, Mingli; Yang, Feilong; Yang, Pan; Li, Zhouxun; Sun, Jinyu; Yang, Yongtai; Chen, Zhenxia; Weng, Linhong; Ling, Yun; Zhou, Yaming","A Series of Metal‒Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2Adsorption and Separation","Crystal Growth & Design","2015","15","12","5794","","10.1021/acs.cgd.5b01155","","","0.71073","MoKα","","0.1016","0.0551","","","0.1619","0.17","","","","","","0.892","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513683","15.585","0.004","19.237","0.005","25.305","0.007","90","","90","","90","","7587","3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H48 N10 O22 Zn5 -","- C39 H48 N10 O22 Zn5 -","- C156 H192 N40 O88 Zn20 -","4","0.5","","Deng, Mingli; Yang, Feilong; Yang, Pan; Li, Zhouxun; Sun, Jinyu; Yang, Yongtai; Chen, Zhenxia; Weng, Linhong; Ling, Yun; Zhou, Yaming","A Series of Metal‒Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2Adsorption and Separation","Crystal Growth & Design","2015","15","12","5794","","10.1021/acs.cgd.5b01155","","","0.71073","MoKα","","0.2056","0.1067","","","0.2725","0.3441","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513685","15.1796","0.0019","19.303","0.002","25.806","0.003","90","","90","","90","","7561.5","1.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H50 N10 O17 Zn5 -","- C45 H50 N10 O17 Zn5 -","- C180 H200 N40 O68 Zn20 -","4","0.5","","Deng, Mingli; Yang, Feilong; Yang, Pan; Li, Zhouxun; Sun, Jinyu; Yang, Yongtai; Chen, Zhenxia; Weng, Linhong; Ling, Yun; Zhou, Yaming","A Series of Metal‒Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2Adsorption and Separation","Crystal Growth & Design","2015","15","12","5794","","10.1021/acs.cgd.5b01155","","","0.71073","MoKα","","0.1257","0.0594","","","0.1515","0.1922","","","","","","1.051","","","","has coordinates","170783","2020-10-21","18:00:00",""
"4513686","15.578","0.008","19.131","0.01","25.039","0.014","90","","90","","90","","7462","7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H42 N10 O17.5 Zn5 -","- C39 H42 N10 O17.5 Zn5 -","- C156 H168 N40 O70 Zn20 -","4","0.5","","Deng, Mingli; Yang, Feilong; Yang, Pan; Li, Zhouxun; Sun, Jinyu; Yang, Yongtai; Chen, Zhenxia; Weng, Linhong; Ling, Yun; Zhou, Yaming","A Series of Metal‒Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2Adsorption and Separation","Crystal Growth & Design","2015","15","12","5794","","10.1021/acs.cgd.5b01155","","","0.71073","MoKα","","0.0779","0.0573","","","0.1673","0.1817","","","","","","1.023","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513687","15.4115","0.0016","19.185","0.002","25.471","0.003","90","","90","","90","","7531","1.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H41.5 N11.5 O15 Zn5 -","- C39 H41.5 N11.5 O15 Zn5 -","- C156 H166 N46 O60 Zn20 -","4","0.5","","Deng, Mingli; Yang, Feilong; Yang, Pan; Li, Zhouxun; Sun, Jinyu; Yang, Yongtai; Chen, Zhenxia; Weng, Linhong; Ling, Yun; Zhou, Yaming","A Series of Metal‒Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2Adsorption and Separation","Crystal Growth & Design","2015","15","12","5794","","10.1021/acs.cgd.5b01155","","","0.71073","MoKα","","0.0753","0.0598","","","0.1889","0.2102","","","","","","1.133","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513688","15.1988","0.0013","19.2039","0.0016","25.754","0.002","90","","90","","90","","7517","1.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C42 H44 N10 O15.5 Zn5 -","- C42 H44 N10 O15.5 Zn5 -","- C168 H176 N40 O62 Zn20 -","4","0.5","","Deng, Mingli; Yang, Feilong; Yang, Pan; Li, Zhouxun; Sun, Jinyu; Yang, Yongtai; Chen, Zhenxia; Weng, Linhong; Ling, Yun; Zhou, Yaming","A Series of Metal‒Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2Adsorption and Separation","Crystal Growth & Design","2015","15","12","5794","","10.1021/acs.cgd.5b01155","","","0.71073","MoKα","","0.0667","0.0516","","","0.1703","0.1885","","","","","","1.158","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513715","10.3635","0.0018","7.6322","0.0018","33.649","0.006","90","","90","","90","","2661.5","0.9","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H22 N O4 -","- C12 H22 N O4 -","- C96 H176 N8 O32 -","8","1","","Martins, Inês C. B.; Sardo, Mariana; Santos, Sérgio M.; Fernandes, Auguste; Antunes, Alexandra; André, Vânia; Mafra, Luís; Duarte, M. Teresa","Packing Interactions and Physicochemical Properties of Novel Multicomponent Crystal Forms of the Anti-Inflammatory Azelaic Acid Studied by X-ray and Solid-State NMR","Crystal Growth & Design","2016","16","1","154","","10.1021/acs.cgd.5b01057","","","0.71073","MoKα","","0.2392","0.0946","","","0.2214","0.2874","","","","","","0.893","","","","has coordinates","175768","2020-10-21","18:00:00",""
"4514006","20.119","0.004","27.014","0.005","11.361","0.002","90","","90","","90","","6175","2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H26 Cd N6 O4 -","- C40 H26 Cd N6 O4 -","- C320 H208 Cd8 N48 O32 -","8","1","","Zhao, Bei; Li, Na; Wang, Xi; Chang, Ze; Bu, Xian-He","Host-Guest Engineering of Coordination Polymers for Highly Tunable Luminophores Based on Charge Transfer Emissions.","ACS applied materials & interfaces","2017","","","","","10.1021/acsami.6b14554","","","0.71073","MoKα","","0.0528","0.0384","","","0.0854","0.0937","","","","","","1.01","","","","has coordinates","190734","2020-10-21","18:00:00",""
"4514103","18.5484","0.0009","15.0463","0.0007","16.1704","0.0008","90","","90","","90","","4512.9","0.4","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C50 H40 Cl N3 O P2 Ru -","- C50 H40 Cl N3 O P2 Ru -","- C200 H160 Cl4 N12 O4 P8 Ru4 -","4","0.5","","Sarbajna, Abir; Dutta, Indranil; Daw, Prosenjit; Dinda, Shrabani; Rahaman, S. M. Wahidur; Sarkar, Abheek; Bera, Jitendra K.","Catalytic Conversion of Alcohols to Carboxylic Acid Salts and Hydrogen with Alkaline Water","ACS Catalysis","2017","7","4","2786","","10.1021/acscatal.6b03259","","","0.71073","MoKα","","0.0347","0.0317","","","0.0799","0.0814","","","","","","1.109","","","","has coordinates","195917","2020-10-21","18:00:00",""
"4514131","11.724","0.002","19.637","0.004","6.3269","0.0013","90","","90","","90","","1456.6","0.5","25","","12","","","","","","","","","4","P n m a","-P 2ac 2n","62","Calcium hydrogen maleate","","","- C8 H16 Ca O13 -","- C8 H16 Ca O13 -","- C32 H64 Ca4 O52 -","4","0.5","","Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations","Crystal Growth & Design","2017","17","7","3812","","10.1021/acs.cgd.7b00390","","neutron","0.85","neutron","","0.1","0.0689","","0.125","0.1028","0.0978","","","","","","0.9999","","","","has coordinates","199568","2020-10-21","18:00:00",""
"4514305","14.8743","0.0005","11.3479","0.0004","7.2893","0.0003","90","","90","","90","","1230.38","0.08","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H18 Au Br N3 P -","- C6 H18 Au Br N3 P -","- C24 H72 Au4 Br4 N12 P4 -","4","0.5","","Carden, Will G.; Pedziwiatr, Jakub; Abboud, Khalil A.; McElwee-White, Lisa","Halide Effects on the Sublimation Temperature of X-Au-L Complexes: Implications for Their Use as Precursors in Vapor Phase Deposition Methods.","ACS applied materials & interfaces","2017","9","46","40998","41005","10.1021/acsami.7b12465","","","0.71073","MoKα","","0.0157","0.0119","","","0.0259","0.0264","","","","","","1.02","","","","has coordinates","203918","2020-10-21","18:00:00",""
"4514307","15.0773","0.001","11.4116","0.0008","7.5983","0.0005","90","","90","","90","","1307.33","0.15","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H18 Au I N3 P -","- C6 H18 Au I N3 P -","- C24 H72 Au4 I4 N12 P4 -","4","0.5","","Carden, Will G.; Pedziwiatr, Jakub; Abboud, Khalil A.; McElwee-White, Lisa","Halide Effects on the Sublimation Temperature of X-Au-L Complexes: Implications for Their Use as Precursors in Vapor Phase Deposition Methods.","ACS applied materials & interfaces","2017","9","46","40998","41005","10.1021/acsami.7b12465","","","0.71073","MoKα","","0.0179","0.0165","","","0.0428","0.0432","","","","","","1.072","","","","has coordinates","203920","2020-10-21","18:00:00",""
"4514623","15.492","0.005","24.393","0.005","18.535","0.005","90","","90","","90","","7004","3","100","2","100","2","","","","","","","","8","P n m a","-P 2ac 2n","62","ZCII_74","ZCII_74","","- C28 H46 Cl2 F3 Ir O5 P2 S -","- C28 H46 Cl2 F3 Ir O5 P2 S -","- C224 H368 Cl16 F24 Ir8 O40 P16 S8 -","8","1","","Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I.","Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System","ACS Catalysis","2019","9","10","9317","","10.1021/acscatal.9b02280","","","0.71073","MoKα","","0.0787","0.0689","","","0.1401","0.1446","","","","","","1.203","","","","has coordinates,has disorder","219808","2020-10-21","18:00:00",""
"4514703","25.9569","0.0013","17.0296","0.0009","12.1851","0.0006","90","","90","","90","","5386.2","0.5","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","P2PFeanion","","- C40 H61 Fe K N2 O4 P3 -","- C40 H61 Fe K N2 O4 P3 -","- C160 H244 Fe4 K4 N8 O16 P12 -","4","0.5","","Schild, Dirk J.; Peters, Jonas C.","Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.","ACS catalysis","2019","9","5","4286","4295","10.1021/acscatal.9b00523","","","0.71073","MoKα","","0.1162","0.1026","","","0.3059","0.3201","","","","","","1.123","","","","has coordinates,has disorder","219876","2020-10-21","18:00:00",""
"4514740","15.4307","0.0005","22.1735","0.0008","10.8845","0.0003","90","","90","","90","","3724.2","0.2","120","","120","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C32 H58 Co I N4 P2 Zr -","- C32 H58 Co I N4 P2 Zr -","- C128 H232 Co4 I4 N16 P8 Zr4 -","4","0.5","","Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M.","Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex","ACS Catalysis","2019","9","4","3153","","10.1021/acscatal.8b04390","","","0.71073","MoKα","","0.0333","0.0283","","0.0668","0.0643","0.0668","","","","","","1.038","","","","has coordinates,has disorder","219905","2020-10-21","18:00:00",""
"4515199","8.393608","","11.86567","","8.395668","","90","","90","","90","","836.173","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","formamidinium lead bromide","formamidinium lead(II) tribromide","","- C H5 Br3 N2 Pb -","- C H5 Br3 N2 Pb -","- C4 H20 Br12 N8 Pb4 -","4","0.5","","Mozur, Eve M.; Trowbridge, Julia C.; Maughan, Annalise E.; Gorman, Matthew J.; Brown, Craig M.; Prisk, Timothy R.; Neilson, James R.","Dynamical Phase Transitions and Cation Orientation-Dependent Photoconductivity in CH(NH2)2PbBr3","ACS Materials Letters","2019","1","2","260","","10.1021/acsmaterialslett.9b00209","","","","synchrotronx-ray","","","","","","","","","","","","","","","","","has coordinates","220301","2020-10-21","18:00:00",""
"4515261","20.4309","0.0005","7.7088","0.0002","13.2611","0.0004","90","","90","","90","","2088.59","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H15 Bi2 Cl9 N3 -","- C3 H15 Bi2 Cl9 N3 -","- C12 H60 Bi8 Cl36 N12 -","4","0.5","","Ahmad, Khursheed; Ansari, Shagufi Naz; Natarajan, Kaushik; Mobin, Shaikh M.","Design and Synthesis of 1D-Polymeric Chain Based [(CH3NH3)3Bi2Cl9]n Perovskite: A New Light Absorber Material for Lead Free Perovskite Solar Cells","ACS Applied Energy Materials","2018","1","6","2405","","10.1021/acsaem.8b00437","","","0.71073","MoKα","","0.0492","0.0445","","","0.1132","0.1177","","","","","","1.176","","","","has coordinates","225428","2020-10-21","18:00:00",""
"4515787","15.7347","0.0005","13.6973","0.0004","12.7686","0.0004","90","","90","","90","","2751.93","0.15","120","2","120","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H45 Cl N P3 W -","- C21 H45 Cl N P3 W -","- C84 H180 Cl4 N4 P12 W4 -","4","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","","0.71073","MoKα","","0.0577","0.0545","","","0.1297","0.1311","","","","","","1.386","","","","has coordinates,has disorder","225905","2020-10-21","18:00:00",""
"4516075","13.089","0.0008","10.6775","0.0006","9.3276","0.0006","90","","90","","90","","1303.6","0.14","223","","223","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H17 Cl O Ti -","- C13 H17 Cl O Ti -","- C52 H68 Cl4 O4 Ti4 -","4","0.5","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","0.71073","MoKα","","0.0713","0.0601","","","0.1394","0.1461","","","","","","1.154","","","","has coordinates,has disorder","226093","2020-10-21","18:00:00",""
"4516198","13.0062","0.0018","19.617","0.004","6.3852","0.0013","90","","90","","90","","1629.1","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H16 I4 N2 O2 Sn -","- C4 H16 I4 N2 O2 Sn -","- C16 H64 I16 N8 O8 Sn4 -","4","0.5","","Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang","Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells","ACS Energy Letters","2018","3","9","2077","","10.1021/acsenergylett.8b01046","","","0.71073","MoKα","","0.0384","0.0335","","","0.0809","0.0841","","","","","","1.068","","","","has coordinates","226184","2020-10-21","18:00:00",""
"4516237","10.7041","0.0002","36.1378","0.0007","11.916","0.0002","90","","90","","90","","4609.38","0.15","125","","125","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C57 H62 N4 O2 S -","- C57 H62 N4 O2 S -","- C228 H248 N16 O8 S4 -","4","0.5","","Dos Santos, Paloma Lays; Chen, Dongyang; Rajamalli, Pachaiyappan; Matulaitis, Tomas; Cordes, David B.; Slawin, Alexandra M. Z.; Jacquemin, Denis; Zysman-Colman, Eli; Samuel, Ifor D. W.","The use of Pyrimidine and Pyrazine Bridges as a Design Strategy to Improve the Performance of Thermally Activated Delayed Fluorescence Organic Light Emitting Diodes.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b16952","","","1.54184","CuKα","","0.0882","0.0615","","","0.1584","0.1752","","","","","","1.079","","","","has coordinates,has disorder","231127","2020-10-21","18:00:00",""
"4516238","10.665","0.0003","36.1744","0.0011","12.0287","0.0004","90","","90","","90","","4640.7","0.2","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C54 H57 Cl N6 O2 S -","- C54 H57 Cl N6 O2 S -","- C216 H228 Cl4 N24 O8 S4 -","4","0.5","","Dos Santos, Paloma Lays; Chen, Dongyang; Rajamalli, Pachaiyappan; Matulaitis, Tomas; Cordes, David B.; Slawin, Alexandra M. Z.; Jacquemin, Denis; Zysman-Colman, Eli; Samuel, Ifor D. W.","The use of Pyrimidine and Pyrazine Bridges as a Design Strategy to Improve the Performance of Thermally Activated Delayed Fluorescence Organic Light Emitting Diodes.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b16952","","","0.71073","MoKα","","0.1304","0.0857","","","0.2477","0.2822","","","","","","1.039","","","","has coordinates,has disorder","231128","2020-10-21","18:00:00",""
"4516435","13.766","0.002","28.086","0.005","15.412","0.003","90","","90","","90","","5958.8","1.8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H32 Cu7 I11 N8 Ru2 -","- C40 H32 Cu7 I11 N8 Ru2 -","- C160 H128 Cu28 I44 N32 Ru8 -","4","0.5","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.066","0.0608","","","0.1804","0.1858","","","","","","1.092","","","","has coordinates","231314","2020-10-21","18:00:00",""
"4516439","13.699","0.0009","28.1382","0.0018","15.4525","0.001","90","","90","","90","","5956.4","0.7","296","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H32 Cu9 I11 N8 -","- C40 H32 Cu9 I11 N8 -","- C160 H128 Cu36 I44 N32 -","4","0.5","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.0519","0.0423","","","0.1126","0.1198","","","","","","1.05","","","","has coordinates","231318","2020-10-21","18:00:00",""
"4516441","13.699","0.0009","28.1382","0.0018","15.4525","0.001","90","","90","","90","","5956.4","0.7","293","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H32 Cu9 I11 N8 -","- C40 H32 Cu9 I11 N8 -","- C160 H128 Cu36 I44 N32 -","4","0.5","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.052","0.0424","","","0.113","0.1201","","","","","","1.053","","","","has coordinates","231320","2020-10-21","18:00:00",""
"4516542","15.3023","0.0019","35.513","0.004","12.0386","0.0015","90","","90","","90","","6542.1","1.4","90","","90","","","","","","","","synthesized","5","P n m a","-P 2ac 2n","62","","","","- C30 H38 Br1.5 N O4 -","- C30 H38 Br1.5 N O4 -","- C240 H304 Br12 N8 O32 -","8","1","","White, Nicholas G.; MacLachlan, Mark J.","Anion and Cation Effects on Anion-Templated Assembly of Tetrahydroxytriptycene","Crystal Growth & Design","2015","15","11","5629","","10.1021/acs.cgd.5b01342","","","0.71073","MoKα","","0.1054","0.0957","","0.204","0.2004","0.204","","","","","","0.9539","","","","has coordinates,has disorder","231372","2020-10-21","18:00:00",""
"4516543","15.3023","0.0019","35.513","0.004","12.0386","0.0015","90","","90","","90","","6542.1","1.4","90","","90","","","","","","","","synthesized","5","P n m a","-P 2ac 2n","62","","","","- C34 H48 Br1.5 N1.5 O4 -","- C34 H48 Br1.5 N1.5 O4 -","- C272 H384 Br12 N12 O32 -","8","1","","White, Nicholas G.; MacLachlan, Mark J.","Anion and Cation Effects on Anion-Templated Assembly of Tetrahydroxytriptycene","Crystal Growth & Design","2015","15","11","5629","","10.1021/acs.cgd.5b01342","","","0.71073","MoKα","","0.1537","0.1414","","0.3218","0.3173","0.3218","","","","","","0.969","","","","has coordinates","231372","2020-10-21","18:00:00",""
"4516547","8.36","0.003","41.236","0.013","18.139","0.006","90","","90","","90","","6253","4","90","","90","","","","","","","","synthesized","4","P n m a","-P 2ac 2n","62","","","","- C62 H94 N2 O8 -","- C62 H94 N2 O8 -","- C248 H376 N8 O32 -","4","0.5","","White, Nicholas G.; MacLachlan, Mark J.","Anion and Cation Effects on Anion-Templated Assembly of Tetrahydroxytriptycene","Crystal Growth & Design","2015","15","11","5629","","10.1021/acs.cgd.5b01342","","","0.71073","MoKα","","0.0585","0.0544","","0.1213","0.12","0.1212","","","","","","0.9785","","","","has coordinates","231372","2020-10-21","18:00:00",""
"4516988","16.7562","0.0006","12.0231","0.0005","11.4859","0.0004","90","","90","","90","","2313.97","0.15","142","2","142","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H32 N2 O Si2 Sn -","- C21 H32 N2 O Si2 Sn -","- C84 H128 N8 O4 Si8 Sn4 -","4","0.5","","Wirtz, Lisa; Jourdain, Matthias; Huch, Volker; Zimmer, Michael; Schäfer, André","Synthesis, Structure, and Reactivity of Disiloxa[3]tetrelocenophanes.","ACS omega","2019","4","19","18355","18360","10.1021/acsomega.9b02605","","","0.71073","MoKα","","0.0361","0.0247","","","0.0535","0.0574","","","","","","1.016","","","","has coordinates","239674","2020-10-21","18:00:00",""
"4516992","16.8368","0.0012","12.0431","0.0008","11.5413","0.0009","90","","90","","90","","2340.2","0.3","133","2","133","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H32 N2 O Pb Si2 -","- C21 H32 N2 O Pb Si2 -","- C84 H128 N8 O4 Pb4 Si8 -","4","0.5","","Wirtz, Lisa; Jourdain, Matthias; Huch, Volker; Zimmer, Michael; Schäfer, André","Synthesis, Structure, and Reactivity of Disiloxa[3]tetrelocenophanes.","ACS omega","2019","4","19","18355","18360","10.1021/acsomega.9b02605","","","0.71073","MoKα","","0.0559","0.0426","","","0.0745","0.0775","","","","","","1.247","","","","has coordinates","239678","2020-10-21","18:00:00",""
"4517557","10.4131","0.0009","7.3711","0.0006","5.4291","0.0005","90","","90","","90","","416.72","0.06","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- H5 Na3 Ni -","- H5 Na3 Ni -","- H20 Na12 Ni4 -","4","0.5","","Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich","Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.","ACS omega","2020","5","15","8730","8743","10.1021/acsomega.0c00239","powder diffraction","x-ray","0.41127","synchrotron","","0.0594","0.0594","","0.0668","0.0667","","","","4.9","","","","","","","has coordinates","251429","2020-10-21","18:00:00",""
"4517763","10.30844","0.00007","6.02909","0.00003","23.80175","0.00014","90","","90","","90","","1479.29","0.015","768","","768","","","","","","","","","3","P n m a","-P 2ac 2n","62","K2ZrF6","","","- F6 K2 Zr -","- F6 K2 Zr -","- F48 K16 Zr8 -","8","1","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca; Aydar Rakhmatullin","Polymorphism of K2ZrF6","Crystal Growth & Design","2020","20","","3867","3881","10.1021/acs.cgd.0c00166","powder diffraction","x-ray","0.826946","synchrotron","","","","","","","","","13.3758","1.524","","","","","","","has coordinates","253097","2020-10-21","18:00:00",""
"4517822","20.6141","0.0017","18.621","0.002","6.9571","0.0007","90","","90","","90","","2670.5","0.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H11 B F15 N O -","- C31 H11 B F15 N O -","- C124 H44 B4 F60 N4 O4 -","4","0.5","","Lu, Bo; Fang, Xiaoyu; Yan, Dongpeng","Luminescent Polymorphic Co-crystals: A Promising Way to the Diversity of Molecular Assembly, Fluorescence Polarization, and Optical Waveguide.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06794","","","0.71073","MoKα","","0.1115","0.1003","","","0.2282","0.2347","","","","","","1.063","","","","has coordinates","253622","2020-10-21","18:00:00",""
"4518069","37.0064","0.0018","16.7595","0.0008","7.0881","0.0003","90","","90","","90","","4396.1","0.4","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C44 H66 N4 Nd O3 -","- C45 H66 N4 Nd O3 -","- C180 H264 N16 Nd4 O12 -","4","0.5","","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","","0.0767","0.0689","","","0.1562","0.1597","","","","","","1.199","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00",""
"4518295","16.2158","0.0006","18.1879","0.0007","9.2992","0.0004","90","","90","","90","","2742.63","0.19","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H35 Br2 N5 O Pd -","- C26 H31 Br2 N5 O Pd -","- C104 H124 Br8 N20 O4 Pd4 -","4","0.5","","Mansour, Waseem; Fettouhi, Mohammed; El Ali, Bassam","Regioselective Synthesis of Chromones via Cyclocarbonylative Sonogashira Coupling Catalyzed by Highly Active Bridged-Bis(N-Heterocyclic Carbene)Palladium(II) Complexes.","ACS omega","2020","5","50","32515","32529","10.1021/acsomega.0c04706","","","0.71073","MoKα","","0.0473","0.0342","","","0.108","0.1299","","","","","","0.989","","","","has coordinates","260413","2021-01-04","03:05:43",""
"4518701","21.7641","0.0013","17.4903","0.001","9.3685","0.0005","90","","90","","90","","3566.2","0.4","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C56 H48 Cu4 K4 N12 O32 -","- C56 H44 Cu4 K4 N12 O32 -","- C112 H88 Cu8 K8 N24 O64 -","2","0.25","","Pandey, Rampal; Singh, Durgesh; Thakur, Neha; Raj, Krishna K.","Catalytic C-H Bond Activation and Knoevenagel Condensation Using Pyridine-2,3-Dicarboxylate-Based Metal-Organic Frameworks.","ACS omega","2021","6","20","13240","13259","10.1021/acsomega.1c01155","","","0.71073","MoKα","","0.1638","0.1104","","","0.2224","0.2423","","","","","","1.173","","","","has coordinates,has disorder","265749","2021-06-04","00:58:14",""
"4518892","34.215","0.002","31.0051","0.0018","11.7278","0.0008","90","","90","","90","","12441.3","1.3","100.15","","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C46 H28 N6 O8 Zn2 -","- C46 H28 N6 O8 Zn2 -","- C368 H224 N48 O64 Zn16 -","8","1","","Goswami, Ranadip; Das, Sandeep; Seal, Nilanjan; Pathak, Biswarup; Neogi, Subhadip","High-Performance Water Harvester Framework for Triphasic and Synchronous Detection of Assorted Organotoxins with Site-Memory-Reliant Security Encryption via pH-Triggered Fluoroswitching.","ACS applied materials & interfaces","2021","13","29","34012","34026","10.1021/acsami.1c05088","","","0.71073","MoKα","","0.0993","0.0628","","","0.1603","0.1758","","","","","","0.8044","","","","has coordinates","267922","2021-08-03","23:27:49",""
"4518937","9.8701","0.0002","21.0572","0.0004","16.6273","0.0003","90","","90","","90","","3455.76","0.11","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H39 O7 P3 Rh2 -","- C34 H39 O7 P3 Rh2 -","- C136 H156 O28 P12 Rh8 -","4","0.5","","Lu, Wenkui; Zhu, Xiaoyu; Yang, Liqun; Wu, Xiaoyu; Xie, Xiaomin; Zhang, Zhaoguo","Distinct Catalytic Performance of Dirhodium(II) Complexes with ortho-Metalated DPPP in Dehydrosilylation of Styrene Derivatives with Alkoxysilanes","ACS Catalysis","2021","11","16","10190","10197","10.1021/acscatal.1c02129","","","1.54178","CuKα","","0.0284","0.0238","","","0.0559","0.0576","","","","","","1.106","","","","has coordinates","268479","2021-09-04","02:57:27",""
"4519076","16.2677","0.0002","16.0705","0.0002","11.287","0.0002","90","","90","","90","","2950.76","0.07","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H48 N4 O6 Ta -","- C22 H48 N4 O6 Ta -","- C88 H192 N16 O24 Ta4 -","4","0.5","","Hwang, Jeong Min; Lee, Sung Kwang; Shin, Sunyoung; Jeong, Ji-Seoung; Kim, Hae Sun; Ryu, Ji Yeon; Eom, Taeyong; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","New Volatile Tantalum Imido Precursors with Carboxamide Ligands","ACS Omega","2021","6","38","24795","24802","10.1021/acsomega.1c03659","","x-ray","0.71073","MoKα","","0.0172","0.0148","","","0.0377","0.0387","","","","","","1.0435","","","","has coordinates","269498","2021-10-03","20:34:07",""
"4519102","11.0125","0.0016","6.523","0.0011","14.3222","0.0012","90","","90","","90","","1028.8","0.2","290.69","0.16","290.69","0.16","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H32 Br4 N4 O12 -","- C40 H32 Br4 N4 O12 -","- C40 H32 Br4 N4 O12 -","1","0.125","","Lipon, Tyrchain Mitre; Marpna, Ibakyntiew D.; Wanniang, Kmendashisha; Shangpliang, O. Risuklang; Laloo, Badaker M.; Nongkhlaw, Rishanlang; Myrboh, Bekington","Selenium Dioxide-Mediated Bromination of α,β-Unsaturated Ketones Using <i>N</i>-Bromosuccinimide in the Presence of <i>p</i>-Toluenesulfonic Acid: A Versatile Route for the Synthesis of α'-Bromo-4-arylbut-3-en-2-one and α',α'-Dibromo-4-arylbut-3-en-2-one.","ACS omega","2021","6","41","27466","27477","10.1021/acsomega.1c04352","","x-ray","0.71073","MoKα","","0.1376","0.0639","","","0.1057","0.1307","","","","","","1.011","","","","has coordinates","270242","2021-11-03","21:12:50",""
"4519103","19.939","0.005","7.058","0.003","8.04","0.003","90","","90","","90","","1131.5","0.7","291.6","0.3","291.6","0.3","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H28 Br8 Cl4 O4 -","- C40 H28 Br8 Cl4 O4 -","- C40 H28 Br8 Cl4 O4 -","1","0.125","","Lipon, Tyrchain Mitre; Marpna, Ibakyntiew D.; Wanniang, Kmendashisha; Shangpliang, O. Risuklang; Laloo, Badaker M.; Nongkhlaw, Rishanlang; Myrboh, Bekington","Selenium Dioxide-Mediated Bromination of α,β-Unsaturated Ketones Using <i>N</i>-Bromosuccinimide in the Presence of <i>p</i>-Toluenesulfonic Acid: A Versatile Route for the Synthesis of α'-Bromo-4-arylbut-3-en-2-one and α',α'-Dibromo-4-arylbut-3-en-2-one.","ACS omega","2021","6","41","27466","27477","10.1021/acsomega.1c04352","","x-ray","0.71073","MoKα","","0.1899","0.1168","","","0.2487","0.294","","","","","","1.095","","","","has coordinates","270243","2021-11-03","21:13:08",""
"4519337","19.2143","0.0004","20.1989","0.0004","9.3011","0.0002","90","","90","","90","","3609.83","0.13","150","0.1","150","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C37 H57 B Fe N2 -","- C37 H57 B Fe N2 -","- C148 H228 B4 Fe4 N8 -","4","0.5","","Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L.","Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes","ACS Catalysis","2022","","","2979","2985","10.1021/acscatal.2c00224","","x-ray","1.54184","CuKα","","0.0491","0.0425","","","0.1052","0.1091","","","","","","1.042","","","","has coordinates","273246","2022-03-03","20:25:21",""
"4519339","21.9805","0.0005","16.4818","0.0004","10.6196","0.0002","90","","90","","90","","3847.25","0.15","150","0.1","150","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C42 H52 Fe2 N4 -","- C42 H52 Fe2 N4 -","- C168 H208 Fe8 N16 -","4","0.5","","Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L.","Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes","ACS Catalysis","2022","","","2979","2985","10.1021/acscatal.2c00224","","x-ray","1.54184","CuKα","","0.0453","0.039","","","0.0969","0.1002","","","","","","1.027","","","","has coordinates,has disorder","273246","2022-03-03","20:25:21",""
"4519437","8.2901","0.0002","18.8144","0.0005","5.7082","0.0001","90","","90","","90","","890.33","0.04","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","9H-fluorene:dibenzo[b,d]thiophene 0.78:0.22","","- C12.78 H9.57 S0.22 -","- C12.784 H9.568 S0.216 -","- C51.136 H38.272 S0.864 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.34139","GaKα","","0.0381","0.037","","","0.0989","0.1001","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","280093","2023-01-04","13:32:44",""
"4519438","7.6368","0.0004","18.9566","0.0013","5.798","0.0004","90","","90","","90","","839.36","0.09","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","dibenzo[b,d]thiophene:dibenzo[b,d]furan 0.23:0.77","","- C12 H8 O0.77 S0.23 -","- C12 H8 O0.77 S0.23 -","- C48 H32 O3.08 S0.92 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.54178","CuKα","","0.0518","0.0503","","","0.1443","0.1469","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","280094","2023-01-04","13:32:58",""
"4519439","8.0978","0.0003","18.8577","0.0008","5.7063","0.0002","90","","90","","90","","871.39","0.06","100","","100.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","9H-fluorene:dibenzo[b,d]furan 0.69:0.31","","- C12.69 H9.37 O0.31 -","- C12.684 H9.368 O0.316 -","- C50.736 H37.472 O1.264 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","","1.54178","CuKα","","0.0581","0.0558","","","0.155","0.1578","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","280095","2023-01-04","13:33:14",""
"4519440","7.7875","0.0003","18.9102","0.0008","5.8053","0.0003","90","","90","","90","","854.91","0.07","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","dibenzo[b,d]thiophene:dibenzo[b,d]furan 0.46:0.54","","- C12 H8 O0.54 S0.46 -","- C12 H8 O0.545 S0.455 -","- C48 H32 O2.18 S1.82 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.54178","CuKα","","0.0374","0.0365","","","0.0996","0.1008","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","280096","2023-01-04","13:33:27",""
"4519441","7.8867","0.0005","18.8866","0.0012","5.8042","0.0004","90","","90","","90","","864.55","0.1","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","dibenzo[b,d]thiophene:dibenzo[b,d]furan 0.59:0.41","","- C12 H8 O0.41 S0.59 -","- C12 H8 O0.409 S0.591 -","- C48 H32 O1.636 S2.364 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.54178","CuKα","","0.0409","0.0388","","","0.1065","0.1091","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","280097","2023-01-04","13:33:50",""
"4519442","7.9749","0.0003","18.9409","0.0006","5.7813","0.0002","90","","90","","90","","873.28","0.05","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","dibenzo[b,d]thiophene:9H-carbazole 0.62:0.38","","- C12 H8.38 N0.38 S0.62 -","- C12 H8.375 N0.375 S0.625 -","- C48 H33.5 N1.5 S2.5 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.34139","GaKα","","0.0333","0.0329","","","0.0871","0.0874","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","280098","2023-01-04","13:34:05",""
"4519443","7.9686","0.0003","18.8543","0.0006","5.806","0.0002","90","","90","","90","","872.31","0.05","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","dibenzo[b,d]thiophene:dibenzo[b,d]furan 0.73:0.27","","- C12 H8 O0.27 S0.73 -","- C12 H8 O0.274 S0.726 -","- C48 H32 O1.096 S2.904 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.54178","CuKα","","0.032","0.0319","","","0.0855","0.0857","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","280099","2023-01-04","13:34:27",""
"4519444","8.0114","0.0007","18.8298","0.0016","5.8063","0.0005","90","","90","","90","","875.9","0.13","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","dibenzo[b,d]thiophene:dibenzo[b,d]furan 0.79:0.21","","- C12 H8 O0.21 S0.79 -","- C12 H8 O0.206 S0.794 -","- C48 H32 O0.824 S3.176 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.34139","GaKα","","0.0404","0.0381","","","0.1019","0.1044","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","280100","2023-01-04","13:34:41",""
"4519445","8.0589","0.0002","18.8454","0.0004","5.7503","0.0001","90","","90","","90","","873.32","0.03","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","9H-fluorene:dibenzo[b,d]thiophene:dibenzo[b,d]furan 0.45:0.32:0.23","","- C12.45 H8.91 O0.23 S0.32 -","- C12.46 H8.92 O0.22 S0.321 -","- C49.84 H35.68 O0.88 S1.284 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.54178","CuKα","","0.0355","0.0347","","","0.0936","0.0945","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","280101","2023-01-04","13:34:54",""
"4519446","8.0529","0.0008","18.8619","0.0017","5.8033","0.0004","90","","90","","90","","881.48","0.13","100","","100","","","","","","","","","3","P n m a","-P 2ac 2n","62","dibenzothiophene","dibenzo[b,d]thiophene","","- C12 H8 S -","- C12 H8 S -","- C48 H32 S4 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.54178","CuKα","","0.0471","0.0427","","","0.1074","0.1101","","","","","","1.07","","","","has coordinates,has Fobs","280102","2023-01-04","13:35:17",""
"4519449","9.1413","0.0004","10.7906","0.0005","15.999","0.0007","90","","90","","90","","1578.14","0.12","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","Paraquat Dichloride Hydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium bis(chloride) hydrate","","- C12 H19.26 Cl2 N2 O2.63 -","- C12 H19.26 Cl2 N2 O2.631 -","- C48 H77.04 Cl8 N8 O10.524 -","4","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.051","0.0487","","","0.1341","0.1371","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","287198","2023-11-01","18:38:58",""
"5000042","8.389","0.004","5.365","0.003","6.885","0.003","90","","90","","90","","309.9","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Strontium sulfate","Celestine","?","- O4 S Sr -","- O16 S4 Sr4 -","4","0.5","","Simonov, M A; Troyanov, S I","","Vestnik Moskovskogo Universiteta, Geologiya","1987","1987","","77","79","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"5000091","5.716","0.009","3.348","0.004","5.799","0.007","90","","90","","90","","111","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Iron sulfide","Pyrrhotite","?","- Fe S -","- Fe4 S4 -","4","0.5","","King, H. E.; Prewitt, C. T.","High-pressure and high-temperature polymorphism of iron sulfide (FeS)","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1982","38","7","1877","1887","10.1107/S0567740882007523","","","","","","","","","","","","","","","","","","","","","has coordinates","199780","2020-10-21","18:00:00",""
"5000212","9.878","","5.675","","4.328","","90","","90","","90","","242.6","","","","","","","","","","","","Sri Lanka","4","P n m a","-P 2ac 2n","62","","Aluminium magnesium tetraoxoborate","Sinhalite","- Al Mg B O4 -","- Al B Mg O4 -","- Al4 B4 Mg4 O16 -","4","0.5","","Fang, J. H.; Newnham, R. E.","The Crystal Structure of Sinhalite","Mineralogical Magazine","1965","35","269","196","199","10.1180/minmag.1965.035.269.22","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"5000370","25.421","0.003","34.611","0.003","13.1126","0.0013","90","","90","","90","","11537","2","106","","106","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C132 H155 N O8 W2 -","- C132 H159 N O8 W2 -","- C528 H636 N4 O32 W8 -","4","0.5","","Malcolm H. Chisholm; Kirsten Folting; William E. Streib; De-Dong Wu","Dinuclear Molybdenum and Tungsten Complexes with Metal-Metal Triple Bonds Supported by p-tert-Butylcalix[4]arene Ligands","Inorganic Chemistry","1999","38","","5219","5229","10.1021/ic990513a","","","0.71069","MoKα","","","0.0578","","","","0.0519","","","","","","1.118","","","","has coordinates,has disorder","277867","2022-09-15","08:51:11",""
"5900007","7.76","","7.2","","8.34","","90","","90","","90","","465.97","","","","","","","","","","","","","5","P n m a","","62","","Acetonitrile boron triflouride","","- C2 H3 B F3 N -","- C4 H6 B2 F6 N2 -","- C8 H12 B4 F12 N4 -","2","0.25","","Hoard, J. L.; Owen, T. B.; Buzzell, A.; Salmon, O. N.","Structures of molecular addition compounds. II. Methyl cyanide‒boron trifluoride, H~3~CCN‒BF~3~","Acta Crystallographica","1950","3","2","130","137","10.1107/S0365110X50000288","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900013","12","","10.64","","6.69","","90","","90","","90","","854.18","","","","","","","","","","","","","2","P n m a","","62","","Hexabromoethane","","- C2 Br6 -","","","4","0.5","","","","Rec. trav. chim.","1942","61","","253","","10.1002/recl.19420610403","","","","","","","","","","","","","","","","","","","","","","264769","2021-05-03","12:41:22",""
"5910094","7.97","","12.19","","6.75","","90","","90","","90","","655.792","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- H4 N4 S4 -","- N32 S128 -","- N32 S128 -","","","","Wyckoff, R. W. G.","Page 105 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","105","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910108","2.82","","5.52","","11.46","","90","","90","","90","","178.391","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C2 Cr3 -","- C16 Cr24 -","- C16 Cr24 -","","","","Wyckoff, R. W. G.","Page 254 from the second edition of Structure of Crystals by Wyckoff published by The Chemical Catalog Company, INC, New York in 1931 & http://database.iem.ac.ru/mincryst/","The second edition of Structure of Crystals","1931","","","254","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910125","7.78","","5.94","","10.39","","90","","90","","90","","480.155","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O4 Rb2 S -","- O16 Rb8 S4 -","- O16 Rb8 S4 -","","","","Wyckoff, R. W. G.","Pages 292 from the second edition of Structure of Crystals by Wyckoff R W G. Published by The Chemical Catalog Company, INC, New York in 1931 & http://database.iem.ac.ru/mincryst/","The second edition of Structure of Crystals","1931","","","292","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910152","6.21","","10.88","","8.19","","90","","90","","90","","553.356","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cs2 O4 S -","- Cs8 O16 S4 -","- Cs8 O16 S4 -","","","","Wyckoff, R. W. G.","Pages 290 from the second edition of Structure of Crystals by Wyckoff R W G. Published by The Chemical Catalog Company, INC, New York in 1931 & http://database.iem.ac.ru/mincryst/","The second edition of Structure of Crystals","1931","","","290","290","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910168","8.3956","","6.6982","","4.8291","","90","","90","","90","","271.566","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cu O4 S -","- Cu16 O96 S16 -","- Cu16 O96 S16 -","","","","Wyckoff, R. W. G.","Page 40 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","40","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910178","9.103","","5.526","","7.337","","90","","90","","90","","369.074","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Cr O4 -","- Ba Cr O4 -","- Ba4 Cr4 O16 -","4","0.5","","Wyckoff, R. W. G.","Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","46","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","205208","2020-10-21","18:00:00",""
"5910181","8.01","","6.18","","10.85","","90","","90","","90","","537.095","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O4 Rb2 Se -","- O16 Rb8 Se4 -","- O16 Rb8 Se4 -","","","","Wyckoff, R. W. G.","Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","95","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910191","8.592","","5.63","","7.129","","90","","90","","90","","344.851","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O4 Pb Se -","- O16 Pb4 Se4 -","- O16 Pb4 Se4 -","","","","Wyckoff, R. W. G.","Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","46","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910197","7.9","","6.25","","10.5","","90","","90","","90","","518.438","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- K2 O4 Te -","- K8 O16 Te4 -","- K8 O16 Te4 -","","","","Wyckoff, R. W. G.","Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","95","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910219","7.66","","6","","10.47","","90","","90","","90","","481.201","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- K2 O4 Se -","- K8 O16 Se4 -","- K8 O16 Se4 -","","","","Wyckoff, R. W. G.","Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","95","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910235","10.33","","7.74","","5.88","","90","","90","","90","","470.131","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 Ge O4 -","- Ba32 Ge16 O96 -","- Ba32 Ge16 O96 -","","","","Wyckoff, R. W. G.","Pages 91 & 94 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","91","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910250","9.792","","5.663","","4.555","","90","","90","","90","","252.584","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Be Cr2 O4 -","- Be16 Cr32 O96 -","- Be16 Cr32 O96 -","","","","Wyckoff, R. W. G.","Pages 91 & 94 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","91","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910264","8.36","","6.42","","11.26","","90","","90","","90","","604.338","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cs2 O4 Se -","- Cs8 O16 Se4 -","- Cs8 O16 Se4 -","","","","Wyckoff, R. W. G.","Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","95","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910266","7.66","","5.85","","10.13","","90","","90","","90","","453.935","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Be F4 Rb2 -","- Be4 F16 Rb8 -","- Be4 F16 Rb8 -","","","","Wyckoff, R. W. G.","Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","95","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910280","8.435","","5.341","","6.875","","90","","90","","90","","309.728","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Be F4 Pb -","- Be4 F16 Pb4 -","- Be4 F16 Pb4 -","","","","Wyckoff, R. W. G.","Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","46","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910290","9.269","","5.814","","7.49","","90","","90","","90","","403.636","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cl O4 Rb -","- Cl4 O16 Rb4 -","- Cl4 O16 Rb4 -","","","","Wyckoff, R. W. G.","Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","46","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910293","7.908","","5.913","","10.73","","90","","90","","90","","501.735","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cr O4 Tl2 -","- Cr4 O16 Tl8 -","- Cr4 O16 Tl8 -","","","","Wyckoff, R. W. G.","Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","95","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910306","9.47","","5.81","","7.4","","90","","90","","90","","407.153","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- B F4 Tl -","- B4 F16 Tl4 -","- B4 F16 Tl4 -","","","","Wyckoff, R. W. G.","Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","46","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910308","7.29","","5.63","","9.83","","90","","90","","90","","403.45","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Be F4 K2 -","- Be4 F16 K8 -","- Be4 F16 K8 -","","","","Wyckoff, R. W. G.","Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","95","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910312","8.73","","5.65","","6.613","","90","","90","","90","","326.183","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Be F4 -","- Ba4 Be4 F16 -","- Ba4 Be4 F16 -","","","","Wyckoff, R. W. G.","Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","46","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910314","8.624","","6.715","","4.744","","90","","90","","90","","274.726","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Co O4 S -","- Co16 O96 S16 -","- Co16 O96 S16 -","","","","Wyckoff, R. W. G.","Pages 40 & 41 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","40","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910325","7.66","","5.89","","10.33","","90","","90","","90","","466.063","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- K2 Mn O4 -","- K8 Mn4 O16 -","- K8 Mn4 O16 -","","","","Wyckoff, R. W. G.","Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","95","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910327","8.001","","6.074","","10.722","","90","","90","","90","","521.069","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cr O4 Rb2 -","- Cr4 O16 Rb8 -","- Cr4 O16 Rb8 -","","","","Wyckoff, R. W. G.","Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","95","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910329","9.065","","5.472","","7.304","","90","","90","","90","","362.305","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Mn O4 -","- Ba4 Mn4 O16 -","- Ba4 Mn4 O16 -","","","","Wyckoff, R. W. G.","Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","46","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910332","6.56","","4.892","","10.9","","90","","90","","90","","349.798","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na2BeF4","","- Be F4 Na2 -","- Be F4 Na2 -","- Be4 F16 Na8 -","4","0.5","","Wyckoff, R. W. G.","Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","95","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910334","9.85","","7.42","","5.73","","90","","90","","90","","418.789","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge O4 Sr2 -","- Ge16 O96 Sr32 -","- Ge16 O96 Sr32 -","","","","Wyckoff, R. W. G.","Pages 91 & 94 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","91","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910337","10","","5.8","","4.5","","90","","90","","90","","261","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Be Cs2 F4 -","- Be16 Cs32 F96 -","- Be16 Cs32 F96 -","","","","Wyckoff, R. W. G.","Pages 91 & 94 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","91","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910343","9.103","","5.446","","7.301","","90","","90","","90","","361.947","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Fe O4 -","- Ba4 Fe4 O16 -","- Ba4 Fe4 O16 -","","","","Wyckoff, R. W. G.","Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","46","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910344","7.552","","11.54","","10.078","","90","","90","","90","","878.299","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","alpha-sulfanuric chloride","","- Cl3 N3 O3 S3 -","- Cl48 N80 O80 S80 -","- Cl48 N80 O80 S80 -","","","","Wyckoff, R. W. G.","Pages 108 & 109 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","108","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910345","9.304","","5.845","","7.51","","90","","90","","90","","408.408","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cl O4 Tl -","- Cl4 O16 Tl4 -","- Cl4 O16 Tl4 -","","","","Wyckoff, R. W. G.","Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","46","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910348","10.304","","6.032","","4.913","","90","","90","","90","","305.361","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge Mg2 O4 -","- Ge16 Mg32 O96 -","- Ge16 Mg32 O96 -","","","","Wyckoff, R. W. G.","Pages 91 & 94 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","91","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910353","9.034","","5.645","","7.364","","90","","90","","90","","375.541","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba O4 Se -","- Ba4 O16 Se4 -","- Ba4 O16 Se4 -","","","","Wyckoff, R. W. G.","Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","46","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"6000012","7.925","","5.485","","6.816","","90","","90","","90","","296.28","","","","","","","","","","","","","3","P n m a","","","","","","- O Pb S -","","","","","","Christensen, A. N.; Hewat, A. W.","A crystal structure determination of PbSO from X-ray and neutron powder diffraction data","Acta Chemica Scandinavica","1990","44","","688","691","10.3891/acta.chem.scand.44-0688","","","","","","","","","","","","","","","","","","","","","","174704","2020-10-21","18:00:00",""
"6000016","8.1","","10.0643","","18.5664","","90","","90","","90","","1513.55","","","","","","","","","","","","","3","P n m a","","","","","","- Co2 D11 Mg6 -","","","","","","Cerny, R.; Bonhomme, F.; Yvon, K.; Fischer, P.; Zolliker, P.; Cox, D. E.; Hewat, A.","Hexamagnesium dicobalt undecadeuteride Mg~6~Co~2~D~11~: containing [CoD~4~]^5-^ and [CoD~5~]^4-^ complex anions conforming to the 18-electron rule","Journal of Alloys and Compounds","1992","187","1","233","241","10.1016/0925-8388(92)90537-J","","","","","","","","","","","","","","","","","","","","","","174704","2020-10-21","18:00:00",""
"6000044","16.387","","3.8258","","9.979","","90","","90","","90","","625.62","","","","","","","","","","","","","3","P n m a","","","","","","- P3 Pd4 Zr3 -","","","","","","Wang, M. T.; Mcdonald, R.; Mar, A.","Ternary early-transition-metal palladium pnictides Zr3Pd4P3, Hf3Pd4P3, HfPdSb, and Nb5Pd4P4","Inorganic Chemistry","2000","39","","4936","4941","10.1021/ic0006551","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000045","16.34","","3.7867","","9.954","","90","","90","","90","","615.9","","","","","","","","","","","","","3","P n m a","","","","","","- H3 P3 Pd4 -","","","","","","Wang, M. T.; Mcdonald, R.; Mar, A.","Ternary early-transition-metal palladium pnictides Zr3Pd4P3, Hf3Pd4P3, HfPdSb, and Nb5Pd4P4","Inorganic Chemistry","2000","39","","4936","4941","10.1021/ic0006551","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000046","6.754","","4.204","","7.701","","90","","90","","90","","218.66","","","","","","","","","","","","","3","P n m a","","","","","","- Hf Pd Sb -","","","","","","Wang, M. T.; Mcdonald, R.; Mar, A.","Ternary early-transition-metal palladium pnictides Zr3Pd4P3, Hf3Pd4P3, HfPdSb, and Nb5Pd4P4","Inorganic Chemistry","2000","39","","4936","4941","10.1021/ic0006551","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000048","6.709","","4.351","","5.154","","90","","90","","90","","150.45","","","","","","","","","","","","","4","P n m a","","","","","","- Cl H2 Hg N -","","","","","","Leineweber, A.; Jacobs, H.","Crystal growth and refinement of the crystal structure of mercury(II) amide chloride - HgClNH2","Zeitschrift Fur Anorganische Und Allgemeine Chemie","2000","626","","2143","2145","10.1002/1521-3749(200010)626:10<2143::AID-ZAAC2143>3.0.CO;2-Z","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000088","11.897","","5.277","","7.819","","90","","90","","90","","490.88","","","","","","","","","","","","","4","P n m a","","","","","","- Bi O6 P Zn2 -","","","","","","Ketatni, E.; Mernari, B.; Abraham, F.; Mentre, O.","Crystal structure of BiZn2PO6. Filiation between related compounds","Journal of Solid State Chemistry","2000","153","","48","54","10.1006/jssc.2000.8738","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000098","5.6239","","7.8953","","5.5473","","90","","90","","90","","246.31","","","","","","","","","","","","","4","P n m a","","","","","","- Ca N O2 Ta -","","","","","","Gunther, E.; Hagenmayer, R.; Jansen, M.","Structural investigations on the oxidenitrides SrTaO2N, CaTaO2N and LaTaON2 by neutron and X-ray powder diffraction","Zeitschrift Fur Anorganische Und Allgemeine Chemie","2000","626","","1519","1525","10.1002/1521-3749(200007)626:7<1519::AID-ZAAC1519>3.0.CO;2-I","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000112","8.6826","","13.8828","","16.2484","","90","","90","","90","","1958.56","","","","","","","","","","","","","5","P n m a","","","","","","- Ga10 H38 O83 Si22 Sr5 -","","","","","","Lee, Y. J.; Kim, S. J.; Schoonen, M. A. A.; Parise, J. B.","Structural and Sr2+ ion exchange studies of gallosilicate TsG-1","Chemistry of Materials","2000","12","","1597","1603","10.1021/cm990789g","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000145","7.313","","5.453","","10.64","","90","","90","","90","","424.3","","","","","","","","","","","","","3","P n m a","","","","","","- C4 Cr N3 -","","","","","","Quintero, M.; Barreto, A.; Grima, P.; Tovar, R.; Quintero, E.; Porras, G. S.; Ruiz, J.; Woolley, J. C.; Lamarche, G.; Lamarche, A. M.","Crystallographic properties of I-2-Fe-Iv-Vi(4) magnetic semiconductor compounds","Materials Research Bulletin","1999","34","","2263","2270","10.1016/S0025-5408(00)00166-5","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000153","5.7145","","7.8589","","5.5002","","90","","90","","90","","247.01","","","","","","","","","","","","","4","P n m a","","","","","","- Mn Nd2 O6 Ti -","","","","","","Nakano, H.; Nakazima, N.; Shirakami, T.; Kamegashira, N.","Crystal structure of a new oxide, Nd2TiMnO6","Materials Research Bulletin","1999","34","","1851","1858","10.1016/S0025-5408(99)00208-1","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000191","9.8198","","4.7436","","19.0638","","90","","90","","90","","888.01","","","","","","","","","","","","","3","P n m a","","","","","","- Ba2 Cd Te3 -","","","","","","Wang, Y. C.; Disalvo, F. J.","Synthesis and structural characterization of Ba2CdTe3","Journal of Solid State Chemistry","1999","148","","464","467","10.1006/jssc.1999.8480","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000203","12.2125","","10.7524","","18.6199","","90","","90","","90","","2445.05","","","","","","","","","","","","","4","P n m a","","","","","","- C26 H28 N4 O4 -","","","","","","Lasocha, W.; Milart, P.; Rafalska-Lasocha, A.; Schenk, H.","Crystal structure of the complex of 1,8-bis(dimethylamino)naphthalene with p-nitrosophenol by powder diffraction methods","Zeitschrift für Kristallographie","2001","216","2","117","121","10.1524/zkri.216.2.117.20337","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000217","11.0701","0.0007","7.6131","0.0007","25.55","0.002","90","","90","","90","","2153.3","0.5","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H16 Mo3 N O14 -","","","4","0.5","","Lasocha, W.; Jansen, J.; Schenk, H.","crystal-structure of fibrillar anilinum trimolybdate 2(C6H5NH3).Mo3O10.4H(2)O X-ray-powder data","Journal of Solid State Chemistry","1995","117","","103","107","10.1006/jssc.1995.1252","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000244","12.2387","","9.8485","","4.6651","","90","","90","","90","","562.3","","","","","","","","","","","","","3","P n m a","","","","","","- K N7 P4 -","","","","","","Landskron, K.; Irran, E.; Schnick, W.","High-temperature high-pressure synthesis of the highly condensed nitridophosphates NaP4N7, KP4N7, RbP4N7, and CsP4N7 and their crystal-structure determinations by X-ray powder diffraction","Chemistry - a European Journal","1999","5","","2548","2553","10.1002/(SICI)1521-3765(19990903)5:9<2548::AID-CHEM2548>3.0.CO;2-W","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000245","12.3107","","9.8946","","4.6844","","90","","90","","90","","570.6","","","","","","","","","","","","","3","P n m a","","","","","","- N7 P4 Rb -","","","","","","Landskron, K.; Irran, E.; Schnick, W.","High-temperature high-pressure synthesis of the highly condensed nitridophosphates NaP4N7, KP4N7, RbP4N7, and CsP4N7 and their crystal-structure determinations by X-ray powder diffraction","Chemistry - a European Journal","1999","5","","2548","2553","10.1002/(SICI)1521-3765(19990903)5:9<2548::AID-CHEM2548>3.0.CO;2-W","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000246","12.4205","","9.9782","","4.7162","","90","","90","","90","","584.5","","","","","","","","","","","","","3","P n m a","","","","","","- Cs N7 P4 -","","","","","","Landskron, K.; Irran, E.; Schnick, W.","High-temperature high-pressure synthesis of the highly condensed nitridophosphates NaP4N7, KP4N7, RbP4N7, and CsP4N7 and their crystal-structure determinations by X-ray powder diffraction","Chemistry - a European Journal","1999","5","","2548","2553","10.1002/(SICI)1521-3765(19990903)5:9<2548::AID-CHEM2548>3.0.CO;2-W","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000255","5.4704","","17.2471","","14.9219","","90","","90","","90","","1407.86","","","","","","","","","","","","","3","P n m a","","","","","","- Bi4 O10 V2 -","","","","","","Satto, C.; Millet, P.; Sciau, P.; Roucau, C.; Galy, J.","α-Bi4V2O10 crystal structure and oxidation mechanism. X-ray and electron diffraction analysis","Materials Research Bulletin","1999","34","","655","664","10.1016/S0025-5408(99)00058-6","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000259","5.7444","","4.962","","7.97","","90","","90","","90","","227.17","","","","","","","","","","","","","3","P n m a","","","","","","- C Ca O3 -","","","","","","Lucas, A.; Mouallem-Bahout, M.; Carel, C.; Gaude, J.; Matecki, M.","Thermal expansion of synthetic aragonite condensed review of elastic properties","Journal of Solid State Chemistry","1999","146","","73","78","10.1006/jssc.1999.8310","","","","","","","","","","","","","","","","","","","","","","202022","2020-10-21","18:00:00",""
"6000263","10.3478","","3.6967","","13.3769","","90","","90","","90","","511.7","","","","","","","","","","","","","4","P n m a","","","","","","- K Mo O6 V -","","","","","","Mucha, D.; Olszewski, P. K.; Napruszewska, B.","Structural investigation of the potassium vanadomolybdate crystal","Journal of Solid State Chemistry","1999","146","","197","201","10.1006/jssc.1999.8333","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000269","19.95","","3.8236","","10.6563","","90","","90","","90","","812.87","","","","","","","","","","","","","2","P n m a","","","","","","- Te Zr2 -","","","","","","Orlygsson, G.; Harbrecht, B.","Synthesis and crystal structure of Zr2Te. Distinctions in bonding to isotypic Sc2Te and the relationship to the structures of congeneric Hf2Te and Zr2Se","Inorganic Chemistry","1999","38","","3377","3383","10.1021/ic990024a","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000273","7.577","","3.9226","","5.6965","","90","","90","","90","","169.31","","","","","","","","","","","","","3","P n m a","","","","","","- H N Sr -","","","","","","Schultz-Coulon, V.; Irran, E.; Putz, B.; Schnick, W.","beta-SrNH and beta-SrND - Synthesis and crystal structure determination by X-ray and neutron powder diffraction","Zeitschrift Fur Anorganische Und Allgemeine Chemie","1999","625","","1086","1092","10.1002/(SICI)1521-3749(199907)625:7<1086::AID-ZAAC1086>3.0.CO;2-B","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000306","10.3955","","3.503","","12.1157","","90","","90","","90","","441.2","","","","","","","","","","","","","3","P n m a","","","","","","- Ba O4 Y2 -","","","","","","Massarotti, V.; Capsoni, D.; Bini, M.; Altomare, A.; Moliterni, A. G. G.","X-ray diffraction study of polycrystalline Y2BaO4: a test of the new expo program","Zeitschrift für Kristallographie","1999","214","4","200","204","10.1524/zkri.1999.214.4.200","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000308","17.862","","3.9533","","10.6398","","90","","90","","90","","751.32","","","","","","","","","","","","","3","P n m a","","","","","","- Ni2 Sc5 Te2 -","","","","","","Maggard, P. A.; Corbett, J. D.","Sc5Ni2Te2: Synthesis, structure, and bonding of a metal-metal-bonded chain phase, a relative of Gd3MnI3","Inorganic Chemistry","1999","38","","1945","1950","10.1021/ic981073a","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000364","5.4445","","15.8689","","5.6922","","90","","90","","90","","491.8","","","","","","","","","","","","","3","P n m a","","","","","","- Co2 La2 O5 -","","","","","","Hansteen, O. H.; Fjellvag, H.; Hauback, B. C.","Crystal structure and magnetic properties of La2Co2O5","Journal of Solid State Chemistry","1998","141","","411","417","10.1006/jssc.1998.7963","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000366","10.4911","","8.1518","","7.2399","","90","","90","","90","","619.17","","","","","","","","","","","","","4","P n m a","","","","","","- Al Ba3 D O4 -","","","","","","Huang, B. Q.; Corbett, J. D.","Ba3AlO4H: Synthesis and structure of a new hydrogen-stabilized phase","Journal of Solid State Chemistry","1998","141","","570","575","10.1006/jssc.1998.8022","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000370","13.692","0.001","10.707","0.001","6.94","0.001","90","","90","","90","","1017.41","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Br3 Co H15 N5 -","- Br3 Co H15 N5 -","- Br12 Co4 H60 N20 -","4","0.5","","Wu, H. X.; Ma, L. D.; Sun, J.; Kong, X. F.","Ab initio structure determination using conventional X-ray powder diffraction – the crystal structure of [Co(NH~3~)~5~Br]Br~2~","Acta Chimica Sinica","1998","56","","1184","1191","","powder diffraction","","","","","0.041","","","","","","","0.042","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"6000386","8.35929","0.00003","5.35083","0.00002","6.86939","0.00003","90","","90","","90","","307.24","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Strontium Sulfate","Celestine","- O4 S Sr -","- O16 S4 Sr4 -","- O16 S4 Sr4 -","","","","Burger, K.; Cox, D.; Papoular, R.; Prandl, W.","The application of resonant scattering techniques to ab initio structure solution from powder data using SrSO4 as a test case","Journal of Applied Crystallography","1998","31","","789","797","10.1107/S0021889898006293","","","","","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"6000424","5.4572","","28.553","","5.6542","","90","","90","","90","","881.03","","","","","","","","","","","","","3","P n m a","","","","","","- Co3 La4 O9 -","","","","","","Hansteen, O. H.; Fjellvag, H.; Hauback, B. C.","Crystal structure, thermal and magnetic properties of La4Co3O9. Phase relations for La4Co3O10-delta (0.00 <=delta <= 1.00) at 673 k","Journal of Materials Chemistry","1998","8","","2089","2093","10.1039/a801798k","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000437","12.1745","","5.6594","","6.9993","","90","","90","","90","","482.25","","","","","","","","","","","","","4","P n m a","","","","","","- Ba Co O5 Yb2 -","","","","","","Hernández-Velasco, J.; Sáez-Puche, R.; Rodríguez-Carvajal, J.","Yb~2~BaCoO~5~ magnetic and crystal structure determination from neutron scattering","Journal of Alloys and Compounds","1998","","","651","656","10.1016/S0925-8388(98)00412-5","","","","","","","","","","","","","","","","","","","","","","174712","2020-10-21","18:00:00",""
"6000539","8.4931","","9.6439","","6.2272","","90","","90","","90","","510.05","","","","1.5","","","","","","","","","3","P n m a","","","","","","- C Br3 F -","","","","","","Fitch, A. N.; Cockcroft, J. K.","The structure of solid tribromofluoromethane CFBr3 by powder neutron-diffraction","Zeitschrift für Kristallographie","1992","202","3-4","243","250","10.1524/zkri.1992.202.3-4.243","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000560","7.3639","","6.432","","7.455","","90","","90","","90","","353.1","","","","","","","","","","","","","3","P n m a","","","","","","- Fe2 O5 P -","","","","","","Warner, J. K.; Cheetham, A. K.; Cox, D. E.; Vondreele, R. B.","Valence contrast between iron sites in alpha-Fe2PO5 - a comparative-study by magnetic neutron and resonant X-ray-powder diffraction","Journal of The American Chemical Society","1992","114","","6074","6080","10.1021/ja00041a027","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000594","7.523","","7.161","","10.258","","90","","90","","90","","552.62","","","","","","","","","","","","","4","P n m a","","","","","","- Al Cs F6 Pd -","","","","","","Ruchaud, N.; Grannec, J.; Tressaud, A.; Gravereau, P.","The palladium(II) ordered pyrochlore: CsPdAlF6","Comptes Rendus de l'Academie des Sciences, Serie IIb: Mecanique, Physique, Chimie, Astronomie","1995","321","","507","513","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000604","7.4404","","6.4001","","7.0879","","90","","90","","90","","337.52","","","","","","","","","","","","","4","P n m a","","","","","","- H O5 P V -","","","","","","Wilde, L.; Trommer, J.; Steinike, U.; Worzala, H.; Wolf, G. U.","Ab initio structure analysis of VO(HPO4)","Epdic 5","1998","278","2","704","707","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000639","7.808","","10.252","","6.587","","90","","90","","90","","527.27","","","","493","","","","","","","","","3","P n m a","","","","","","- Cu3 S3 Sb -","","","","","","Pfitzner, A.","Disorder of Cu+ in Cu3SbS3: structural investigations of the high- and low-temperature modification","Zeitschrift für Kristallographie","1998","213","4","228","236","10.1524/zkri.1998.213.4.228","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000647","8.689","","12.339","","8.565","","90","","90","","90","","918.28","","","","","","","","","","","","","3","P n m a","","","","","","- Cs I3 Tm -","","","","","","Wang, S. H.; Wang, M. T.","Studies on divalent thulium ternary iodide","Gaodeng Xuexiao Huaxue Xuebao","1998","19","","335","339","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000648","10.381","","4.686","","17.256","","90","","90","","90","","839.42","","","","","","","","","","","","","3","P n m a","","","","","","- I3 Rb Tm -","","","","","","Wang, S. H.; Wang, M. T.","Studies on divalent thulium ternary iodide","Gaodeng Xuexiao Huaxue Xuebao","1998","19","","335","339","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000725","13.71","","10.715","","6.947","","90","","90","","90","","1020.53","","","","","","","","","","","","","4","P n m a","","","","","","- Br3 Co H15 N5 -","","","","","","Wu, H. X.; Ma, L. D.; Shen, X. L.; Shi, G. S.","Research on obtaining the refined X-ray powder diffraction pattern and indices of [Co(NH3)(5)Br]Br2","Gaodeng Xuexiao Huaxue Xuebao","1997","18","","1414","1419","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000779","13.069","","7.559","","6.2037","","90","","90","","90","","612.85","","","","","","","","","","","","","3","P n m a","","","","","","- Fe2 Ge Se4 -","","","","","","Henao, J. A.; Delgado, J. M.; Quintero, M.","X-ray powder diffraction data and structural study of Fe2GeSe4","Powder Diffraction","1998","13","","196","201","10.1017/S0885715600010101","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000782","8.88","","6.8983","","4.8082","","90","","90","","90","","294.54","","","","","","","","","","","","","3","P n m a","","","","","","- In O4 P -","","","","","","Peltier, V.; Deniard, P.; Brec, R.; Marchand, R.","Synthesis and structure of a new variety of indium phosphate beta-InPO4.","Comptes Rendus de l'Academie des Sciences, Serie IIc: Chimie","1998","1","","57","62","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7000010","16.855","0.005","11.632","0.002","9.278","0.002","90","","90","","90","","1819","0.7","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H20 Fe O4 Ru -","- C19 H20 Fe O4 Ru -","- C76 H80 Fe4 O16 Ru4 -","4","0.5","","Dennett, James N. L.; Knox, Selby A. R.; Anderson, Kirsty M.; Charmant, Jonathan P. H.; Orpen, A. Guy","The synthesis of [FeRu(CO)2(mu-CO)2(eta-C5H5)(eta-C5Me5)] and convenient entries to its organometallic chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","1","63","73","10.1039/b414412k","","","0.71073","MoKα","","0.0275","0.0206","","","0.0512","0.0534","","","","","","1.006","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000100","16.223","0.002","7.9767","0.0011","6.0427","0.001","90","","90","","90","","781.96","0.19","220","","220","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H14 Ga N -","- C4 H14 Ga N -","- C16 H56 Ga4 N4 -","4","0.5","","Marchant, Sarah; Tang, Christina Y.; Downs, Anthony J.; Greene, Tim M.; Himmel, Hans-Jörg; Parsons, Simon","Synthesis and structural characterisation of primary amine adducts of gallane, RH2N.GaH3, and of their decomposition products, [RHNGaH2]n(R = Me, n= 3; R =tBu, n= 2).","Dalton transactions (Cambridge, England : 2003)","2005","","20","3281","3290","10.1039/b508057f","","","0.71073","MoKα","","0.0634","0.0467","","0.1212","0.1174","0.1212","","","","","","0.8755","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7000137","14.7414","0.0019","18.668","0.002","13.5904","0.0017","90","","90","","90","","3740","0.8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","calix(4)phyrin (5)","","","- C45 H40 Cl2 Cu Fe2 N4 -","- C45 H40 Cl2 Cu Fe2 N4 -","- C180 H160 Cl8 Cu4 Fe8 N16 -","4","0.5","","Bucher, Christophe; Devillers, Charles H.; Moutet, Jean-Claude; Pécaut, Jacques; Royal, Guy; Saint-Aman, Eric; Thomas, Fabrice","Calix[4]phyrin based redox architectures: towards new molecular tools for electrochemical sensing.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3620","3631","10.1039/b507144e","","","0.71073","MoKα","","0.0449","0.0393","","","0.0899","0.0926","","","","","","1.137","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000362","11.5118","0.0002","8.5384","0.0002","14.3292","0.0003","90","","90","","90","","1408.45","0.05","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H18 Au F6 P3 -","- C6 H18 Au F5.96 P3 -","- C24 H72 Au4 F23.84 P12 -","4","0.5","","Khairul, Wan M.; Fox, Mark A.; Zaitseva, Natasha N.; Gaudio, Maryka; Yufit, Dmitry S.; Skelton, Brian W.; White, Allan H.; Howard, Judith A. K.; Bruce, Michael I.; Low, Paul J.","Transition metal alkynyl complexes by transmetallation from Au(CCAr)(PPh3) (Ar = C6H5 or C6H4Me-4)","Dalton Transactions","2009","","4","610","","10.1039/b809960j","","","0.71073","Mo-Kα","","0.0201","0.0194","","","0.0504","0.0509","","","","","","1.054","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7000368","30.1832","0.0009","7.4839","0.0002","14.6691","0.0004","90","","90","","90","","3313.57","0.16","183","2","183","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H8 O7 S W -","- C15 H8 O7 S W -","- C120 H64 O56 S8 W8 -","8","1","","Lotz, Simon; Crause, Chantelle; Olivier, Andrew J.; Liles, David C.; Görls, Helmar; Landman, Marilé; Bezuidenhout, Daniela I.","Synthesis and reactivity of metal carbene complexes with heterobiaryl spacer substituents","Dalton Transactions","2009","","4","697","","10.1039/b811762d","","","0.71073","MoKα","","0.0448","0.0342","","","0.0831","0.0879","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7000599","13.449","0.005","10.233","0.003","6.787","0.002","90","","90","","90","","934.1","0.5","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tribromo(dimethylselenide-Se)indium(III)","","- C2 H6 Br3 In Se -","- C2 H6 Br3 In Se -","- C8 H24 Br12 In4 Se4 -","4","0.5","","Gurnani, Chitra; Jura, Marek; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael","Synthesis, characterisation and structures of thio-, seleno- and telluro-ether complexes of indium(III) halides","Dalton Transactions","2009","","9","1611","1619","10.1039/b816148h","","","0.71073","MoKα","","0.0484","0.0352","","","0.0703","0.0752","","","","","","1.072","","","","has coordinates","179683","2020-10-21","18:00:00",""
"7000953","7.7351","0.0007","10.8172","0.0008","7.154","0.0006","90","","90","","90","","598.59","0.09","213","2","213","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Silver(i) Nitrate complex with 1,2,4,5-tetrazine","Silver(I) Nitrate complex with 1,2,4,5-tetrazine","","- C2 H2 Ag N5 O3 -","- C2 H2 Ag N5 O3 -","- C8 H8 Ag4 N20 O12 -","4","0.5","","Gural'skiy, Il'ya A.; Escudero, Daniel; Frontera, Antonio; Solntsev, Pavlo V.; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.","1,2,4,5-Tetrazine: an unprecedented μ4-coordination that enhances ability for anion⋯π interactions","Dalton Transactions","2009","","15","2856","2864","10.1039/b818125j","","","0.71073","MoKα","","0.0223","0.0188","","","0.0443","0.0449","","","","","","1.024","","","","has coordinates","179687","2020-10-21","18:00:00",""
"7000955","9.0359","0.0008","13.2071","0.0013","8.7513","0.0007","90","","90","","90","","1044.36","0.16","213","2","213","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Silver(i) Nitrate 2:1 complex with 3,6-dimethyl-1,2,4,5- tetrazine","Silver(I) Nitrate 2:1 complex with 3,6-dimethyl-1,2,4,5-tetrazine","","- C4 H6 Ag2 N6 O6 -","- C4 H6 Ag2 N6 O6 -","- C16 H24 Ag8 N24 O24 -","4","0.5","","Gural'skiy, Il'ya A.; Escudero, Daniel; Frontera, Antonio; Solntsev, Pavlo V.; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.","1,2,4,5-Tetrazine: an unprecedented μ4-coordination that enhances ability for anion⋯π interactions","Dalton Transactions","2009","","15","2856","2864","10.1039/b818125j","","","0.71073","MoKα","","0.031","0.0213","","","0.0504","0.052","","","","","","0.893","","","","has coordinates","179687","2020-10-21","18:00:00",""
"7000963","19.697","0.004","23.107","0.005","14.322","0.003","90","","90","","90","","6518","2","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C93 H8 F40 -","- C93 F40 -","- C372 F160 -","4","0.5","","Tamm, Nadezhda B.; Ioffe, Ilya N.; Kemnitz, Erhard; Troyanov, Sergey I.","Synthesis and molecular structure of pentafluoroethyl derivatives of C70: C70(C2F5)8 and C70(C2F5)10","Dalton Transactions","2009","","15","2740","2745","10.1039/b817829a","","","0.905","synchrotron","","0.117","0.0793","","","0.2035","0.2142","","","","","","1.366","","","","has coordinates","179687","2020-10-21","18:00:00",""
"7000971","18.4739","0.0001","25.5003","0.0001","12.3008","0.0001","90","","90","","90","","5794.78","0.06","100","2","100","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C86 F40 -","- C86 F40 -","- C344 F160 -","4","0.5","","Tamm, Nadezhda B.; Ioffe, Ilya N.; Kemnitz, Erhard; Troyanov, Sergey I.","Synthesis and molecular structure of pentafluoroethyl derivatives of C70: C70(C2F5)8 and C70(C2F5)10","Dalton Transactions","2009","","15","2740","2745","10.1039/b817829a","","","0.905","synchrotron","","0.1055","0.0949","","","0.2101","0.2124","","","","","","0.975","","","","has coordinates","179687","2020-10-21","18:00:00",""
"7001038","17.4879","0.0019","27.436","0.003","15.5563","0.0017","90","","90","","90","","7463.9","1.4","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C74 H86 B2 Fe3 Li O9 -","- C74 H86 B2 Fe3 Li O9 -","- C296 H344 B8 Fe12 Li4 O36 -","4","0.5","","Kaufmann, Linda; Breunig, Jens-Michael; Vitze, Hannes; Schödel, Frauke; Nowik, Israel; Pichlmaier, Markus; Bolte, Michael; Lerner, Hans-Wolfram; Winter, Rainer F.; Herber, Rolfe H.; Wagner, Matthias","Electronic communication in oligonuclear ferrocene complexes with anionic four-coordinate boron bridges","Dalton Transactions","2009","","16","2940","2950","10.1039/b821406a","","","0.71073","MoKα","","0.2222","0.1029","","","0.1944","0.2438","","","","","","0.979","","","","has coordinates,has disorder","209589","2020-10-21","18:00:00",""
"7001328","5.5401","0.002","15.7754","0.0008","5.5388","0.0018","90","","90","","90","","484.1","0.2","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","?","- Ba1.6272 Co7.8656 O21.2584 Sr6.5096 -","- Ba1.6272 Co7.8656 O21.2584 Sr6.5096 -","","","","de la Calle, C.; Alonso, J. A.; Aguadero, A.; Fernández-Díaz, M. T.","Phase transformations in Sr0.8Ba0.2CoO2.5 brownmillerite: correlation between structure and transport properties","Dalton Transactions","2009","","21","4104","4114","10.1039/b819369j","powder diffraction","neutron","1.91","ConstantWavelengthNeutronDiffraction","","","","","","","","","5.4385","","","","","","","","has coordinates","179710","2020-10-21","18:00:00",""
"7001345","14.481","0.003","12.148","0.002","15.203","0.003","90","","90","","90","","2674.4","0.9","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H32 F6 N6 P Rh -","- C22 H32 F6 N6 P Rh -","- C88 H128 F24 N24 P4 Rh4 -","4","0.5","","Hallett, Andrew J.; Anderson, Kirsty M.; Connelly, Neil G.; Haddow, Mairi F.","Bonding modes, structures and fluxionality in rhodium and iridium tris(3,5-dimethylpyrazolyl)methane diene complexes","Dalton Transactions","2009","","21","4181","4189","10.1039/b900817a","","","0.71073","MoKα","","0.2148","0.083","","","0.1799","0.2642","","","","","","1.026","","","","has coordinates","179710","2020-10-21","18:00:00",""
"7001395","22.372","0.0004","22.5986","0.0005","10.7794","0.0002","90","","90","","90","","5449.8","0.19","120","2","120","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C58.25 H51.5 Cl0.5 N2 O2 P4 Re S -","- C58.25 H51.5 Cl0.5 N2 O2 P4 Re S -","- C233 H206 Cl2 N8 O8 P16 Re4 S4 -","4","0.5","","Kabir, S. E.; Alam, J.; Ghosh, S.; Kundu, K.; Hogarth, G.; Tocher, D. A.; Hossain, G. M. G.; Roesky, H. W.","Synthesis, structure and reactivity of tetranuclear square-type complexes of rhenium and manganese bearing pyrimidine-2-thiolate (pymS) ligands: versatile and efficient precursors for mono- and polynuclear compounds containing M(CO)3 (M = Re, Mn) fragments","Dalton Transactions","2009","","23","4458","4467","10.1039/b815337j","","","0.71073","MoKα","","0.0448","0.032","","","0.0703","0.0739","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7001456","12.97","0.003","10.859","0.002","8.7092","0.0018","90","","90","","90","","1226.6","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Bis(cyclopentadienyl)(1-difluoromethyl-2,2- difluorovinyl)chlorotungsten","Bis(cyclopentadienyl)(1-difluoromethyl-2,2-difluorovinyl)chlorotungsten","","- C13 H11 Cl F4 W -","- C13 H11 Cl F4 W -","- C52 H44 Cl4 F16 W4 -","4","0.5","","Kühnel, Moritz F.; Lentz, Dieter","Hydrometalation of fluoroallenes","Dalton Transactions","2009","","24","4747","4755","10.1039/b903300a","","","0.71073","MoKα","","0.0166","0.0156","","","0.0413","0.0417","","","","","","1.287","","","","has coordinates","179712","2020-10-21","18:00:00",""
"7001463","8.7377","0.0006","7.5851","0.0006","20.573","0.0015","90","","90","","90","","1363.5","0.17","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C11 H17 Cl N2 Ni O3 -","- C11 H17 Cl N2 Ni O3 -","- C44 H68 Cl4 N8 Ni4 O12 -","4","0.5","","Mukhopadhyay, Bhaswati Ghosh; Mukhopadhyay, Suman; Guedes da Silva, M. Fátima C.; Charmier, M. Adília Januário; Pombeiro, Armando J. L.","Synthesis of mono- and bis-tetrazolato complexes of Ni(II), Pt(II) and Cu(II) via 1,3-dipolar cycloadditions of 2-cyanopyridines with metal ligated azides in N,N,O-aminoiminophenolato complexes","Dalton Transactions","2009","","24","4778","4785","10.1039/b902007a","","","0.71069","MoKα","","0.0529","0.0451","","","0.102","0.1049","","","","","","1.133","","","","has coordinates,has disorder","179712","2020-10-21","18:00:00",""
"7001531","8.74","0.004","6.013","0.003","15.022","0.006","90","","90","","90","","789.5","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ga2 Mo O10 Se2 -","- Ga2 Mo O10 Se2 -","- Ga8 Mo4 O40 Se8 -","4","0.5","","Kong, Fang; Hu, Chun-Li; Hu, Ting; Zhou, Yong; Mao, Jiang-Gao","Explorations of new phases in the GaIII/InIII‒MoVI‒SeIV/TeIV‒O systems","Dalton Transactions","2009","","25","4962","4970","10.1039/b903616d","","","0.71073","MoKα","","0.0232","0.0213","","","0.0511","0.0519","","","","","","1.08","","","","has coordinates","179713","2020-10-21","18:00:00",""
"7001532","8.751","0.004","6.066","0.002","15.13","0.007","90","","90","","90","","803.2","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ga2 Mo O10 Te2 -","- Ga2 Mo O10 Te2 -","- Ga8 Mo4 O40 Te8 -","4","0.5","","Kong, Fang; Hu, Chun-Li; Hu, Ting; Zhou, Yong; Mao, Jiang-Gao","Explorations of new phases in the GaIII/InIII‒MoVI‒SeIV/TeIV‒O systems","Dalton Transactions","2009","","25","4962","4970","10.1039/b903616d","","","0.71073","MoKα","","0.0145","0.0131","","","0.0287","0.0292","","","","","","1.094","","","","has coordinates","179713","2020-10-21","18:00:00",""
"7001560","30.287","0.006","21.769","0.004","22.432","0.004","90","","90","","90","","14790","5","213","2","213","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C112 H80 Bi8 O20 -","- C112 H80 Bi8 O20 -","- C448 H320 Bi32 O80 -","4","0.5","","Mendoza-Espinosa, Daniel; Rheingold, Arnold L.; Hanna, Tracy A.","Synthesis of bismuth and antimony complexes of the “larger” calix[n]arenes (n = 6‒8); from mononuclear to tetranuclear complexes","Dalton Transactions","2009","","26","5226","5238","10.1039/b903947c","","","0.71073","MoKα","","0.1569","0.1159","","","0.259","0.2805","","","","","","1.038","","","","has coordinates","179713","2020-10-21","18:00:00",""
"7001930","16.372","0.002","14.6632","0.0018","24.624","0.003","90","","90","","90","","5911.4","1.3","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C48 H51 B2 Cl9 F8 N4 O3 Ru -","- C48 H51 B2 Cl9 F8 N4 O3 Ru -","- C192 H204 B8 Cl36 F32 N16 O12 Ru4 -","4","0.5","","Fawcett, John; Harding, Duncan A. J.; Hope, Eric G.; Singh, Kuldip; Solan, Gregory A.","N-Heterocyclic carbene-containing ruthenium difluoro complexes and their reactivity towards BF3","Dalton Transactions","2009","","34","6861","6870","10.1039/b906321h","","","0.71073","MoKα","","0.0814","0.0667","","","0.1655","0.1746","","","","","","1.083","","","","has coordinates,has disorder","179717","2020-10-21","18:00:00",""
"7002025","19.4679","0.0003","17.5361","0.0002","9.5159","0.0001","90","","90","","90","","3248.64","0.07","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C33 H42 Cl Ir N2 O2 -","- C33 H42 Cl Ir N2 O2 -","- C132 H168 Cl4 Ir4 N8 O8 -","4","0.5","","Urban, Slawomir; Tursky, Matyas; Fröhlich, Roland; Glorius, Frank","Investigation of the properties of 4,5-dialkylated N-heterocyclic carbenes","Dalton Transactions","2009","","35","6934","","10.1039/b908981k","","","0.71073","MoKα","","0.0469","0.0334","","","0.0708","0.0774","","","","","","1.03","","","","has coordinates,has disorder","179718","2020-10-21","18:00:00",""
"7002215","27.523","0.002","6.7821","0.0005","10.8909","0.0009","90","","90","","90","","2032.9","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(5)","","","- C20 H25 Au Cl2 N2 -","- C20 H25 Au Cl2 N2 -","- C80 H100 Au4 Cl8 N8 -","4","0.5","","Hudson, Zachary D.; Sanghvi, Chinar D.; Rhine, Melody A.; Ng, Julia J.; Bunge, Scott D.; Hardcastle, Kenneth I.; Saadein, Mohammad R.; MacBeth, Cora E.; Eichler, Jack F.","Synthesis and characterization of gold(iii) complexes possessing 2,9-dialkylphenanthroline ligands: to bind or not to bind?","Dalton Transactions","2009","","36","7473","7480","10.1039/b823215f","","","0.71073","MoKα","","0.1014","0.0464","","","0.0883","0.1071","","","","","","1.008","","","","has coordinates","179720","2020-10-21","18:00:00",""
"7002342","9.31","0.003","7.671","0.003","11.045","0.004","90","","90","","90","","788.8","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","dimethyl(hydrosulfido)tin thioacetate","","","- C4 H10 O2 S Sn -","- C4 H10 O2 S Sn -","- C16 H40 O8 S4 Sn4 -","4","0.5","","Chaturvedi, Jyotsna; Bhattacharya, Subrato; Nethaji, M.","Synthesis of a one-dimensional coordination polymer containing pendant hydrosulfide groups","Dalton Transactions","2009","","38","8018","8024","10.1039/b908304a","","","0.71073","MoKα","","0.0362","0.028","","","0.0651","0.0686","","","","","","0.958","","","","has coordinates","179721","2020-10-21","18:00:00",""
"7002399","17.367","0.001","24.495","0.002","13.292","0.001","90","","90","","90","","5654.5","0.7","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C27.75 H26.25 Cu N4.25 O2.5 S2.75 -","- C27.75 H25.25 Cu N4.25 O2.5 S2.75 -","- C222 H202 Cu8 N34 O20 S22 -","8","1","","Bowmaker, Graham A.; Chaichit, Narongsak; Hanna, John V.; Pakawatchai, Chaveng; Skelton, Brian W.; White, Allan H.","Spectroscopy and structures of two complete families, one mononuclear, the other binuclear, of 1 : 2 CuX : dptu stoichiometry (X = Cl, Br, I; ‘dptu’ = N,N′-diphenylthiourea)","Dalton Transactions","2009","","39","8308","8316","10.1039/b909167j","","","0.71073","MoKα","","0.048","0.035","","","0.093","0.099","","","","","","1.041","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7002466","18.279","0.004","20.892","0.004","14.844","0.003","90","","90","","90","","5669","2","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C54 H60 Ag2 N12 Ni2 O18 -","- C54 H36 Ag2 N12 Ni2 O18 -","- C216 H144 Ag8 N48 Ni8 O72 -","4","0.5","","Palacios, María A.; Rodríguez-Diéguez, Antonio; Sironi, Angelo; Herrera, Juan Manuel; Mota, Antonio J.; Cano, Joan; Colacio, Enrique","Enhanced ferromagnetic interaction in metallacyclic complexes incorporating m-phenylenediamidato bridges.","Dalton Transactions","2009","","40","8538","8547","10.1039/b903986d","","","0.71073","MoKα","","0.0582","0.0367","","","0.0817","0.0912","","","","","","1.043","","","","has coordinates","179724","2020-10-21","18:00:00",""
"7002581","12.6954","0.0014","10.087","0.0011","6.6497","0.0007","90","","90","","90","","851.55","0.16","110","2","110","2","","","","","","","","3","P n m a","-P 2ac 2n","62","ddj1","","","- C28 H40 S12 -","- C14 H20 S6 -","- C28 H40 S12 -","2","0.25","","Darensbourg, Donald J.; Andreatta, Jeremy R.; Jungman, Matthew J.; Reibenspies, Joseph H.","Investigations into the coupling of cyclohexene oxide and carbon disulfide catalyzed by (salen)CrCl. Selectivity for the production of copolymers vs. cyclic thiocarbonates","Dalton Transactions","2009","","41","8891","8899","10.1039/b911061e","","","1.54178","CuKα","","0.0376","0.0333","","","0.0811","0.0829","","","","","","1.009","","","","has coordinates,has disorder","179729","2020-10-21","18:00:00",""
"7002739","15.92","0.01","13.841","0.002","11.964","0.002","90","","90","","90","","2636.3","1.8","293","2","293","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","","","- C11 H34 Cl4 Cr N5 O15 -","- C11 H34 Cl4 Cr N5 O15 -","- C44 H136 Cl16 Cr4 N20 O60 -","4","0.5","","Basallote, Manuel G.; Bernhardt, Paul V.; Calvet, Teresa; Castillo, Carmen E.; Font-Bardia, Mercè; Martínez, Manuel; Rodríguez, Carlos","Mechanistic aspects of the chemistry of mononuclear CrIII complexes with pendant-arm macrocyclic ligands and formation of discrete CrIII/FeII and CrIII/FeII/CoIII cyano-bridged mixed valence compounds","Dalton Transactions","2009","","43","9567","9577","10.1039/b909151c","","x-ray","0.71073","MoKα","","0.0778","0.0636","","","0.1798","0.1944","","","","","","1.057","","","","has coordinates,has disorder","179731","2020-10-21","18:00:00",""
"7002749","12.8823","0.0003","8.682","0.0002","13.3457","0.0003","90","","90","","90","","1492.64","0.06","293","2","293","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","","poly-(pentakis(mu-cyanido)-(diethylenetriamine-k3N,N',N'') dicopper(I/II)-nickel(II)","","- C9 H13 Cu2 N8 Ni -","- C9 H13 Cu2 N8 Ni -","- C36 H52 Cu8 N32 Ni4 -","4","0.5","","Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Condensed heterometallic bidimensional mixed valence CuI/CuII/NiII cyanidometallate","Dalton Transactions","2009","","44","9722","9724","10.1039/b915284a","","","0.71073","MoKα","","0.0379","0.0267","","","0.0621","0.0636","","","","","","0.943","","","","has coordinates","179731","2020-10-21","18:00:00",""
"7002760","7.621","0.005","7.519","0.005","18.177","0.013","90","","90","","90","","1041.6","1.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H8 Mn N2 O6 -","- C9 H8 Mn N2 O6 -","- C36 H32 Mn4 N8 O24 -","4","0.5","","Wang, Yan-Qin; Wang, Kun; Sun, Qian; Tian, Hua; Gao, En-Qing; Song, You","Novel manganese(II) and cobalt(II) 3D polymers with mixed cyanate and carboxylate bridges: crystal structure and magnetic properties","Dalton Transactions","2009","","44","9854","9859","10.1039/b914592c","","","0.71073","MoKα","","0.1437","0.0779","","","0.1486","0.1676","","","","","","1.17","","","","has coordinates","179731","2020-10-21","18:00:00",""
"7002865","8.6572","0.0004","7.0511","0.0003","6.5731","0.0003","90","","90","","90","","401.24","0.03","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As Ce F O4 -","- As Ce F O4 -","- As4 Ce4 F4 O16 -","4","0.5","","Rouse, Jessica; Weller, Mark T.","Cerium(IV) fluoride and fluoride-arsenate frameworks","Dalton Transactions","2009","","46","10330","10337","10.1039/b912262a","","","0.71073","MoKα","","0.0445","0.0383","","","0.0822","0.0859","","","","","","1.157","","","","has coordinates","179732","2020-10-21","18:00:00",""
"7002995","9.961","0.005","15.105","0.007","7.514","0.004","90","","90","","90","","1130.6","1","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H18 N2 Pd S2 -","- C9 H18 N2 Pd S2 -","- C36 H72 N8 Pd4 S8 -","4","0.5","","de Paula, Queite A.; Liu, Qin; Almaraz, Elky; Denny, Jason A.; Mangrum, John B.; Bhuvanesh, Nattamai; Darensbourg, Marcetta Y.; Farrell, Nicholas P.","Reactions of palladium and gold complexes with zinc-thiolate chelates using electrospray mass spectrometry and X-ray diffraction: molecular identification of [Pd(bme-dach)], [Au(bme-dach]+ and [ZnCl(bme-dach)]2Pd","Dalton Transactions","2009","","48","10896","10903","10.1039/b917748p","","","0.71073","MoKα","","0.0905","0.0618","","","0.1614","0.1809","","","","","","1.098","","","","has coordinates,has disorder","179733","2020-10-21","18:00:00",""
"7003061","17.7457","0.0003","18.2033","0.0004","18.385","0.0003","90","","90","","90","","5938.91","0.19","173","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C57 H92 Cl Li4 O6 P -","- C57 H93 Cl Li4 O6 P -","- C228 H372 Cl4 Li16 O24 P4 -","4","0.5","","Carmichael, Christopher D.; Fryzuk, Michael D.","Cubane and step-form structures of dilithium bis(aryloxy)phosphines","Dalton Transactions","2008","","6","800","806","10.1039/b710506a","","","0.71073","MoKα","","0.0756","0.0526","","","0.1482","0.1658","","","","","","1.049","","","","has coordinates,has disorder","179734","2020-10-21","18:00:00",""
"7003118","32.57","0.002","15.4052","0.0008","5.6365","0.0003","90","","90","","90","","2828.1","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H38 Br Cu N4 O -","- C20 H36 Br Cu N4 O -","- C80 H144 Br4 Cu4 N16 O4 -","4","0.5","","Bowmaker, Graham A.; Hanna, John V.; Hahn, F. Ekkehardt; Lipton, Andrew S.; Oldham, Carolyn E.; Skelton, Brian W.; Smith, Mark E.; White, Allan H.","Structural and spectroscopic studies of some copper(i) halide tert-butyl isocyanide adducts","Dalton Transactions","2008","","13","1710","1720","10.1039/b712815k","","","0.71073","MoKα","","0.1107","0.0658","","","0.1599","0.171","","","","","","1.088","","","","has coordinates","179735","2020-10-21","18:00:00",""
"7003133","11.7771","0.0005","20.7881","0.0009","10.9245","0.0005","90","","90","","90","","2674.6","0.2","150","2","150","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","","","","- C26 H35 B Cl2 N2 -","- C26 H35 B Cl2 N2 -","- C104 H140 B4 Cl8 N8 -","4","0.5","","Hinchliffe, Alan; Mair, Francis S.; McInnes, Eric J. L.; Pritchard, Robin G.; Warren, John E.","Light group 13 chloride diazadiene complexes: consequences of varying substituent bulk","Dalton Transactions","2008","","2","222","233","10.1039/b712911d","","x-ray","0.71073","MoKα","","0.0848","0.053","","","0.1153","0.1307","","","","","","1.072","","","","has coordinates,has disorder","179735","2020-10-21","18:00:00",""
"7003172","37.82","0.008","12.712","0.003","17.536","0.004","90","","90","","90","","8431","3","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H17 K O10 Si -","- C40 H17 K O10 Si -","- C320 H136 K8 O80 Si8 -","8","1","","Prince, Paul D.; Bearpark, Michael J.; McGrady, G. Sean; Steed, Jonathan W.","Hypervalent hydridosilicates: synthesis, structure and hydride bridging","Dalton Transactions","2008","","2","271","282","10.1039/b713427d","","","0.71073","MoKα","","0.2264","0.1319","","","0.3374","0.3894","","","","","","1.262","","","","has coordinates,has disorder","179735","2020-10-21","18:00:00",""
"7003211","7.9917","0.0011","5.6041","0.0009","8.5828","0.0013","90","","90","","90","","384.39","0.1","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C2 H3 Cs O -","- C2 H3 Cs O -","- C8 H12 Cs4 O4 -","4","0.5","","Lerner, Hans-Wolfram; Sänger, Inge; Schödel, Frauke; Lorbach, Andreas; Bolte, Michael; Wagner, Matthias","Isoelectronic caesium compounds: the triphosphenide Cs[tBu3SiPPPSitBu3] and the enolate Cs[OCHCH2]","Dalton Transactions","2008","","6","787","792","10.1039/b714339g","","","0.71073","MoKα","","0.0253","0.025","","","0.0637","0.0639","","","","","","1.183","","","","has coordinates","179736","2020-10-21","18:00:00",""
"7003329","19.1346","0.0017","14.359","0.0013","10.235","0.0009","90","","90","","90","","2812.1","0.4","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H24 Br N6 O3 Re -","- C30 H24 Br N6 O3 Re -","- C120 H96 Br4 N24 O12 Re4 -","4","0.5","","Pérez, Julio; Riera, Lucía; Ion, Laura; Riera, Víctor; Anderson, Kirsty M.; Steed, Jonathan W.; Miguel, Daniel","Second-sphere interaction of anions with a weakly binding metal complex host: probing the effect of counteranions","Dalton Transactions","2008","","7","878","886","10.1039/b715599A","","","0.71073","MoKα","","0.0273","0.02","","","0.0392","0.0412","","","","","","1.024","","","","has coordinates","179737","2020-10-21","18:00:00",""
"7003525","20.4546","0.0005","14.9128","0.0004","17.1049","0.0005","90","","90","","90","","5217.6","0.2","173","2","173","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","(O(SiMeNCPhCHCPhNLi(thf)2)2).(thf)","","","- C52 H68 Li2 N4 O6 Si2 -","- C52 H68 Li2 N4 O6 Si2 -","- C208 H272 Li8 N16 O24 Si8 -","4","0.5","","Wei, Xue-Hong; Farwell, James D.; Hitchcock, Peter B.; Lappert, Michael F.","Synthesis and structures of some new types of lithium β-diketiminates","Dalton Transactions","2008","","8","1073","1080","10.1039/b716888h","","x-ray","0.71073","MoKα","","0.0849","0.0605","","","0.1611","0.179","","","","","","1.039","","","","has coordinates","179739","2020-10-21","18:00:00",""
"7003800","13.5284","0.001","18.4929","0.0012","6.9942","0.0006","90","","90","","90","","1749.8","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br4 N2 Te -","- C10 H20 Br4 N2 Te -","- C40 H80 Br16 N8 Te4 -","4","0.5","","Dutton, Jason L.; Sutrisno, Andre; Schurko, Robert W.; Ragogna, Paul J.","Synthesis and characterization of cationic selenium‒nitrogen heterocycles from tert-butyl-DAB (DAB = 1,4-di-tert-butyl-1,3-diazabutadiene) and SeX4via the reductive elimination of X2 (X = Cl, Br): a distinct contrast with tellurium","Dalton Transactions","2008","","26","3470","3477","10.1039/b719779a","","","0.71073","MoKα","","0.1091","0.0703","","","0.1703","0.1919","","","","","","1.044","","","","has coordinates","179742","2020-10-21","18:00:00",""
"7003992","10.21","0.004","11.469","0.004","22.139","0.009","90","","90","","90","","2592.4","1.7","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H27 Cl2 N4 Rh S2 -","- C19 H27 Cl2 N4 Rh S2 -","- C76 H108 Cl8 N16 Rh4 S8 -","4","0.5","","Jia, Wei-Guo; Huang, Yuan-Biao; Lin, Yue-Jian; Jin, Guo-Xin","Syntheses and structures of half-sandwich iridium(iii) and rhodium(iii) complexes with organochalcogen (S, Se) ligands bearing N-methylimidazole and their use as catalysts for norbornene polymerization","Dalton Transactions","2008","","41","5612","5620","10.1039/B801862f","","","0.71073","MoKα","","0.0595","0.0417","","","0.0845","0.0899","","","","","","1.05","","","","has coordinates","179743","2020-10-21","18:00:00",""
"7004275","15.8629","0.0003","19.4171","0.0004","7.6391","0.0003","90","","90","","90","","2352.93","0.11","123","2","123","2","","","","","","","Hexane","5","P n m a","-P 2ac 2n","62","[Ru(CO)4(IMes)]","","","- C12.5 H12 N O2 Ru0.5 -","- C12.5 H12 N O2 Ru0.5 -","- C100 H96 N8 O16 Ru4 -","8","1","","Bruce, Michael I.; Cole, Marcus L.; Fung, Ricky S. C.; Forsyth, Craig M.; Hilder, Matthias; Junk, Peter C.; Konstas, Kristina","The reactivity of N-heterocyclic carbenes and their precursors with [Ru3(CO)12]","Dalton Transactions","2008","","31","4118","4128","10.1039/B805012K","","x-ray","0.71073","MoKα","","0.0979","0.0597","","","0.1104","0.1226","","","","","","1.036","","","","has coordinates","213925","2020-10-21","18:00:00",""
"7004408","8.521","0.002","18.477","0.004","15.38","0.004","90","","90","","90","","2421.5","1","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H22 La2 N4 O20 -","- C11 H20 La2 N4 O20 -","- C44 H80 La8 N16 O80 -","4","0.5","","Zhao, Jun; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A lanthanide-based metal‒organic framework with a dynamic porous property","Dalton Transactions","2008","","35","4714","4716","10.1039/b806615a","","","0.71073","MoKα","","0.0662","0.0595","","","0.1173","0.1204","","","","","","1.286","","","","has coordinates","179748","2020-10-21","18:00:00",""
"7004554","20.032","0.002","13.1268","0.001","10.7375","0.001","90","","90","","90","","2823.5","0.4","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","bis((1,8-bis(dimethylstibino)naphthalene)di(mu!3$-oxido))","bis((1,8-bis(dimethylstibino)naphthalene)di(μ~3~-oxido))","","- C28 H36 O4 Sb4 -","- C28 H36 O4 Sb4 -","- C112 H144 O16 Sb16 -","4","0.5","","Jura, Marek; Levason, William; Reid, Gillian; Webster, Michael","Preparation and properties of sterically demanding and chiral distibine ligands","Dalton Transactions","2008","","42","5774","5782","10.1039/b808493a","","","0.71073","MoKα","","0.0537","0.0494","","","0.1035","0.1053","","","","","","1.376","","","","has coordinates,has disorder","179749","2020-10-21","18:00:00",""
"7004690","11.627","0.005","10.811","0.005","6.171","0.005","90","","90","","90","","775.7","0.8","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H10 B Br2 N -","- C3 H10 B Br2 N -","- C12 H40 B4 Br8 N4 -","4","0.5","","Vargas-Baca, Ignacio; Findlater, Michael; Powell, Adam; Vasudevan, Kalyan V.; Cowley, Alan H.","Boron di- and tri-cations","Dalton Transactions","2008","","45","6421","6426","10.1039/b810575h","","","0.71073","MoKα","","0.0913","0.039","","","0.0912","0.1085","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7005163","20.444","0.007","12.367","0.004","9.933","0.003","90","","90","","90","","2511.4","1.4","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H30 B10 Co Rh S2 -","- C17 H30 B10 Co Rh S2 -","- C68 H120 B40 Co4 Rh4 S8 -","4","0.5","","Liu, Shuang; Jin, Guo-Xin","A facile and general approach to the Rh-M (M = Co, Rh) single bond supported by ortho-carborane-1,2-dichalcogenolato ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","9","949","954","10.1039/b617295d","","","0.71073","MoKα","","0.0725","0.0402","","","0.0904","0.097","","","","","","0.941","","","","has coordinates","179755","2020-10-21","18:00:00",""
"7005164","20.729","0.005","12.437","0.003","9.953","0.002","90","","90","","90","","2565.9","1","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H30 B10 Co Rh Se2 -","- C17 H30 B10 Co Rh Se2 -","- C68 H120 B40 Co4 Rh4 Se8 -","4","0.5","","Liu, Shuang; Jin, Guo-Xin","A facile and general approach to the Rh-M (M = Co, Rh) single bond supported by ortho-carborane-1,2-dichalcogenolato ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","9","949","954","10.1039/b617295d","","","0.71073","MoKα","","0.0913","0.0429","","","0.0866","0.0956","","","","","","0.826","","","","has coordinates","179755","2020-10-21","18:00:00",""
"7005165","20.371","0.007","12.197","0.004","10.192","0.003","90","","90","","90","","2532.4","1.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H30 B10 Rh2 S2 -","- C17 H30 B10 Rh2 S2 -","- C68 H120 B40 Rh8 S8 -","4","0.5","","Liu, Shuang; Jin, Guo-Xin","A facile and general approach to the Rh-M (M = Co, Rh) single bond supported by ortho-carborane-1,2-dichalcogenolato ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","9","949","954","10.1039/b617295d","","","0.71073","MoKα","","0.0545","0.0375","","","0.0711","0.0753","","","","","","1.028","","","","has coordinates","179755","2020-10-21","18:00:00",""
"7005167","9.247","0.003","12.611","0.004","16.472","0.005","90","","90","","90","","1920.9","1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H20 B10 Rh2 S2 -","- C12 H20 B10 Rh2 S2 -","- C48 H80 B40 Rh8 S8 -","4","0.5","","Liu, Shuang; Jin, Guo-Xin","A facile and general approach to the Rh-M (M = Co, Rh) single bond supported by ortho-carborane-1,2-dichalcogenolato ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","9","949","954","10.1039/b617295d","","","0.71073","MoKα","","0.0474","0.0285","","","0.0541","0.0581","","","","","","0.863","","","","has coordinates","179755","2020-10-21","18:00:00",""
"7005173","6.8143","0.0003","18.127","0.0008","6.3397","0.0002","90","","90","","90","","783.1","0.05","293","2","293","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","potassium pyrimidine-4,6-dicarboxylate","potassium pyrimidine-4,6-dicarboxylate","","- C6 H2 K2 N2 O4 -","- C6 H2 K2 N2 O4 -","- C24 H8 K8 N8 O16 -","4","0.5","","Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; García-Couceiro, Urko; García-Terán, Juan P; Román, Pascual","Rational design of 1-D metal-organic frameworks based on the novel pyrimidine-4,6-dicarboxylate ligand. New insights into pyrimidine through magnetic interaction.","Dalton transactions (Cambridge, England : 2003)","2007","","25","2669","2680","10.1039/b617348a","","","0.71073","MoKα","","0.0712","0.0409","","","0.0905","0.1002","","","","","","1.039","","","","has coordinates","179755","2020-10-21","18:00:00",""
"7005211","13.829","0.0002","14.612","0.0002","13.806","0.0002","90","","90","","90","","2789.77","0.07","150","2","150","2","","","","","","","synthesized by the authors","4","P n m a","-P 2ac 2n","62","","","","- C7 H27 B8 N -","- C7 H27 B8 N -","- C56 H216 B64 N8 -","8","1","","Londesborough, Michael G. S.; Janousek, Zbynek; Stíbr, Bohumil; Hnyk, Drahomír; Plesek, Jaromír; Císarová, Ivana","The [2,5,12-C3B8H15]- anion, the first representative of the eleven-vertex hypho family of tricarbaboranes.","Dalton transactions (Cambridge, England : 2003)","2007","","12","1221","1228","10.1039/b618082e","","","0.71073","MoKα","","0.0477","0.0412","","","0.116","0.1206","","","","","","1.1","","","","has coordinates","179756","2020-10-21","18:00:00",""
"7005245","23.065","0.005","7.4423","0.0015","9.846","0.002","90","","90","","90","","1690.1","0.6","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H6 Co3 K N6 O7 -","- C8 Co3 K N6 O7 -","- C32 Co12 K4 N24 O28 -","4","0.5","","Rodríguez-Diéguez, Antonio; Kivekäs, Raikko; Sakiyama, Hiroshi; Debdoubi, Ahderrahmane; Colacio, Enrique","A novel 3D cyano-bridged mixed-valence CoII/CoIII canted antiferromagnet constructed from defective cubanes. Synthesis, X-ray structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2007","","21","2145","2149","10.1039/b618479k","","","0.71073","MoKα","","0.1113","0.0639","","","0.1693","0.1858","","","","","","1.091","","","","has coordinates","179756","2020-10-21","18:00:00",""
"7005448","21.4922","0.0012","26.3727","0.0015","17.183","0.001","90","","90","","90","","9739.5","1","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C156 H196 N48 Nd4 O52 Ru6 -","- C156 H132 N48 Nd4 O52 Ru6 -","- C312 H264 N96 Nd8 O104 Ru12 -","2","0.25","","Baca, Svetlana G.; Adams, Harry; Sykes, Daniel; Faulkner, Stephen; Ward, Michael D.","Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, near-infrared luminescent lanthanide(iii) cations, and ancillary oligopyridine ligands: structures and photophysical properties","Dalton Transactions","2007","","23","2419","","10.1039/b702235b","","","0.71073","MoKα","","0.0656","0.0608","","","0.1673","0.1698","","","","","","1.177","","","","has coordinates,has disorder","179758","2020-10-21","18:00:00",""
"7005483","21.0616","0.0014","10.2915","0.0006","8.7973","0.0005","90","","90","","90","","1906.9","0.2","120","2","120","2","","","","","","","","8","P n m a","-P 2ac 2n","62","catena-((mu-cis-bis(3,5-dimethyl-1H- pyrazolyl)selenide)mercury(ii)) dichloride methylsulfoxide solvate","catena-{[mu-cis-bis(3,5-dimethyl-1H-pyrazolyl)selenide]mercury(II)} dichloride methylsulfoxide solvate","","- C12 H20 Cl2 Hg N4 O S Se -","- C12 H20 Cl2 Hg N4 O S Se -","- C48 H80 Cl8 Hg4 N16 O4 S4 Se4 -","4","0.5","","Seredyuk, Maksym; Haukka, Matti; Fritsky, Igor O.; Kozłowski, Henryk; Krämer, Roland; Pavlenko, Vadim A.; Gütlich, Philipp","Bis(3,5-dimethyl-1H-pyrazolyl)selenide‒a new bidentate bent connector for preparation of 1D and 2D co-ordination polymers.","Dalton transactions (Cambridge, England : 2003)","2007","","29","3183","3194","10.1039/b702574b","","","0.71073","MoKα","","0.0346","0.0267","","","0.0509","0.0534","","","","","","1.108","","","","has coordinates","179758","2020-10-21","18:00:00",""
"7005643","24.7548","0.0014","11.321","0.0006","30.2286","0.0015","90","","90","","90","","8471.5","0.8","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H104 Mo12 N2 O58 S12 -","- C14 H32 Mo12 N2 O58 S12 -","- C56 H128 Mo48 N8 O232 S48 -","4","0.5","","Lemonnier, Jean-François; Floquet, Sébastien; Kachmar, Ali; Rohmer, Marie-Madeleine; Bénard, Marc; Marrot, Jerôme; Terazzi, Emmanuel; Piguet, Claude; Cadot, Emmanuel","Host-guest adaptability within oxothiomolybdenum wheels: structures, studies in solution and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2007","","28","3043","3054","10.1039/b703770H","","","0.71073","MoKα","","0.0549","0.0427","","","0.1191","0.1341","","","","","","1.209","","","","has coordinates","179760","2020-10-21","18:00:00",""
"7005692","17.2058","0.0007","11.4473","0.0005","9.5525","0.0004","90","","90","","90","","1881.46","0.14","120","2","120","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C11 H25 Cl4 Co N4 O2 Zn -","- C12 H25 Cl4 Co N4 O2 Zn -","- C48 H100 Cl16 Co4 N16 O8 Zn4 -","4","0.5","","Broge, Louise; Søtofte, Inger; Jensen, Kristian; Jensen, Nicolai; Pretzmann, Ulla; Springborg, Johan","Bowl adamanzanes‒bicyclic tetraamines: syntheses and crystal structures of complexes with cobalt(III) and chelating coordinated oxo-anions.","Dalton transactions (Cambridge, England : 2003)","2007","","34","3826","3839","10.1039/b704451h","","","0.71073","MoKα","","0.0208","0.0195","","","0.0483","0.049","","","","","","1.082","","","","has coordinates","179760","2020-10-21","18:00:00",""
"7005809","11.1323","0.0012","7.0613","0.0019","17.8","0.003","90","","90","","90","","1399.2","0.5","220","2","220","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C13 H13 Cl F N O Pt S -","- C13 H13 Cl F N O Pt S -","- C52 H52 Cl4 F4 N4 O4 Pt4 S4 -","4","0.5","","Newman, Christopher P.; Casey-Green, Katherine; Clarkson, Guy J.; Cave, Gareth W. V.; Errington, W.; Rourke, Jonathan P.","Cyclometallated platinum(II) complexes: oxidation to, and C-H activation by, platinum(IV).","Dalton transactions (Cambridge, England : 2003)","2007","","29","3170","3182","10.1039/b705609e","","","0.71073","MoKα","","0.0353","0.0246","","","0.0522","0.0548","","","","","","0.938","","","","has coordinates","179762","2020-10-21","18:00:00",""
"7005901","7.3514","0.0002","12.5897","0.0003","11.3054","0.0003","90","","90","","90","","1046.34","0.05","213","2","213","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Silver(i) Trifluoroacetate Complex with Pyridazino(4,5- d)pyridazine","Silver(I) Trifluoroacetate Complex with Pyridazino[4,5-d]pyridazine","","- C8 H4 Ag F3 N4 O2 -","- C8 H4 Ag F3 N4 O2 -","- C32 H16 Ag4 F12 N16 O8 -","4","0.5","","Konstantin V. Domasevitch; Pavlo V. Solntsev; Il'ya A. Gural'skiy; Harald Krautscheid; Eduard B. Rusanov; Alexander N. Chernega; Judith A. K. Howard","Silver(I) ions bridged by pyridazine: doubling the ligand functionality for the design of unusual 3D coordination frameworks.","Dalton transactions (Cambridge, England : 2003)","2007","","35","3893","3905","10.1039/b706731c","","","0.71073","MoKα","","0.0347","0.0292","","","0.0703","0.0735","","","","","","1.054","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7005945","16.558","0.004","41.174","0.007","12.341","0.003","90","","90","","90","","8414","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","fac-(1,4,7-tritiacyclononane)-(dimethylsulfoxide,S)-ruthenium(II)-(mu-oxalate)- fac-tris(dimethylsulfoxide,S)-(triflate,O)-ruthenium(II) triflate chloroform solvate","","- C18.5 H36.5 Cl1.5 F6 O14 Ru2 S9 -","- C18.5 H36.5 Cl1.5 F6 O14 Ru2 S9 -","- C148 H292 Cl12 F48 O112 Ru16 S72 -","8","1","","Bratsos, Ioannis; Birarda, Giovanni; Jedner, Stephanie; Zangrando, Ennio; Alessio, Enzo","Half-sandwich RuII-[9]aneS3 complexes with dicarboxylate ligands: synthesis, characterization and chemical behavior.","Dalton transactions (Cambridge, England : 2003)","2007","","36","4048","4058","10.1039/b707011j","","","0.71073","MoKα","","0.1004","0.0596","","","0.1681","0.1805","","","","","","0.879","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005966","12.5762","0.0009","21.295","0.004","6.689","0.0007","90","","90","","90","","1791.4","0.4","213","2","213","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H32 Cl N3 O3 -","- C14 H30 Cl N3 O3 -","- C56 H120 Cl4 N12 O12 -","4","0.5","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Increasing the solubility of strong reducing agents containing Mo(2)(4+) units and alkyl-substituted guanidinate ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","35","3943","3951","10.1039/b707201e","","","0.71073","MoKα","","0.0438","0.0406","","","0.1049","0.1085","","","","","","1.109","","","","has coordinates","179763","2020-10-21","18:00:00",""
"7006117","29.8942","0.001","10.7482","0.0003","7.4301","0.0003","90","","90","","90","","2387.36","0.14","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H30 B2 Fe2 O4 -","- C28 H30 B2 Fe2 O4 -","- C112 H120 B8 Fe8 O16 -","4","0.5","","Day, Joanna K.; Bresner, Chrisopher; Fallis, Ian A.; Ooi, Li-Ling; Watkin, David J.; Coles, Simon J.; Male, Louise; Hursthouse, Michael B.; Aldridge, Simon","Synthesis of polymeric and macrocyclic Lewis acids: influence of backbone on degree of aggregation.","Dalton transactions (Cambridge, England : 2003)","2007","","32","3486","3488","10.1039/b709042k","","","0.71073","MoKα","","0.1096","0.0724","","","0.1183","0.1277","","","","","","1.138","","","","has coordinates,has disorder","179765","2020-10-21","18:00:00",""
"7006189","23.8205","0.001","17.0064","0.0007","17.3076","0.0007","90","","90","","90","","7011.3","0.5","160","2","160","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C55 H115 N3 O19 Ti W5 -","- C55 H116 N3 O19 Ti W5 -","- C220 H464 N12 O76 Ti4 W20 -","4","0.5","","Errington, R. John; Petkar, Sagar S.; Middleton, Paul S.; McFarlane, William; Clegg, William; Coxall, Robert A.; Harrington, Ross W.","Non-aqueous synthetic methodology for TiW(5) polyoxometalates: protonolysis of [(MeO)TiW(5)O(18)](3-) with alcohols, water and phenols.","Dalton transactions (Cambridge, England : 2003)","2007","","44","5211","5222","10.1039/b709732h","","","0.71073","MoKα","","0.0584","0.0452","","","0.0954","0.1006","","","","","","1.23","","","","has coordinates,has disorder","179765","2020-10-21","18:00:00",""
"7006193","23.533","0.003","17.1813","0.0019","17.4145","0.0019","90","","90","","90","","7041.2","1.4","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C55 H113 N3 O20 Ti W5 -","- C55 H113 N3 O20 Ti W5 -","- C220 H452 N12 O80 Ti4 W20 -","4","0.5","","Errington, R. John; Petkar, Sagar S.; Middleton, Paul S.; McFarlane, William; Clegg, William; Coxall, Robert A.; Harrington, Ross W.","Non-aqueous synthetic methodology for TiW(5) polyoxometalates: protonolysis of [(MeO)TiW(5)O(18)](3-) with alcohols, water and phenols.","Dalton transactions (Cambridge, England : 2003)","2007","","44","5211","5222","10.1039/b709732h","","","0.6882","synchrotron","","0.0805","0.0517","","","0.129","0.1451","","","","","","1.047","","","","has coordinates,has disorder","179765","2020-10-21","18:00:00",""
"7006286","19.692","0.002","16.616","0.002","11.137","0.001","90","","90","","90","","3644.1","0.7","293","","293","","","","","","","","local","7","P n m a","-P 2ac 2n","62","","","","- C22 H54 Cd F12 N6 O3 P2 -","- C22 H48 Cd F12 N6 O3 P2 -","- C88 H192 Cd4 F48 N24 O12 P8 -","4","0.5","","Bygott, Alexia M. T.; Geue, Rodney J.; Ralph, Stephen F.; Sargeson, Alan M.; Willis, Anthony C.","Octahedral and trigonal prismatic structure preferences in a bicyclic hexaamine cage for zinc(II), cadmium(II) and mercury(II) ions.","Dalton transactions (Cambridge, England : 2003)","2007","","42","4778","4787","10.1039/b711879a","","","1.5418","CuKα","","","0.071","","","0.101","0.101","","","","","","3.64","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7006287","19.76","0.05","16.49","0.03","11.03","0.02","90","","90","","90","","3594","13","293","","293","","","","","","","","local","7","P n m a","-P 2ac 2n","62","","","","- C22 H53.64 F12 Hg N6 O2.82 P2 -","- C22 H48 F12 Hg N6 O2.82 P2 -","- C88 H192 F48 Hg4 N24 O11.28 P8 -","4","0.5","","Bygott, Alexia M. T.; Geue, Rodney J.; Ralph, Stephen F.; Sargeson, Alan M.; Willis, Anthony C.","Octahedral and trigonal prismatic structure preferences in a bicyclic hexaamine cage for zinc(II), cadmium(II) and mercury(II) ions.","Dalton transactions (Cambridge, England : 2003)","2007","","42","4778","4787","10.1039/b711879a","","","1.5418","CuKα","","0.088","0.067","","0.098","0.09","0.09","","","1.955","","","2.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7006300","19.1586","0.0006","19.5819","0.0005","6.1048","0.0002","90","","90","","90","","2290.29","0.12","150","2","150","2","","","","","","","Elaine Geary, Reaction EG25F","5","P n m a","-P 2ac 2n","62","","","","- C21 H18 N2 Ni S7 -","- C21 H18 N2 Ni S7 -","- C84 H72 N8 Ni4 S28 -","4","0.5","","Geary, Elaine A. M.; Yellowlees, Lesley J.; Parsons, Simon; Pilia, Luca; Serpe, Angela; Mercuri, M. Laura; Deplano, Paola; Clark, Stewart J.; Robertson, Neil","Influence of the R-substituents on the properties of [Ni(R2pipdt)(dmit)] complexes and crystal structure where R = CH2C6H5.","Dalton transactions (Cambridge, England : 2003)","2007","","46","5453","5459","10.1039/b712243h","","","0.71073","MoKα","","0.0372","0.0298","","","0.0738","0.0758","","","","","","1.046","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006317","24.241","0.004","18.209","0.003","8.1431","0.0014","90","","90","","90","","3594.4","1","93","2","93","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C35 H32 Cl3 I2 O P2 Rh -","- C35 H32 Cl3 I2 O P2 Rh -","- C140 H128 Cl12 I8 O4 P8 Rh4 -","4","0.5","","Lamb, Gareth; Clarke, Matthew; Slawin, Alexandra M. Z.; Williams, Bruce; Key, Lesley","Evaluation of C4 diphosphine ligands in rhodium catalysed methanol carbonylation under a syngas atmosphere: synthesis, structure, stability and reactivity of rhodium(I) carbonyl and rhodium(III) acetyl intermediates.","Dalton transactions (Cambridge, England : 2003)","2007","","47","5582","5589","10.1039/b712974b","","","0.71073","MoKα","","0.1037","0.0641","","","0.1177","0.1305","","","","","","1.045","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006643","18.114","0.004","21.802","0.005","11.028","0.002","90","","90","","90","","4355.2","1.6","100","2","100","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C44 H41 B Cl5 F4 N Ni P2 -","- C44 H41 B Cl5 F4 N Ni P2 -","- C176 H164 B4 Cl20 F16 N4 Ni4 P8 -","4","0.5","","Schneider, Sabine K.; Julius, Gerrit R.; Loschen, Christoph; Raubenheimer, Helgard G.; Frenking, Gernot; Herrmann, Wolfgang A.","A first structural and theoretical comparison of pyridinylidene-type rNHC (remote N-heterocyclic carbene) and NHC complexes of Ni(II) obtained by oxidative substitution.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1226","1233","10.1039/b512419k","","","0.71073","MoKα","","0.074","0.0537","","","0.1271","0.1399","","","","","","1.031","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006789","14.035","0.004","10.851","0.003","11.349","0.002","90","","90","","90","","1728.4","0.8","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Iodotrimethyl(1,3-bis(dimethylstibino)propane)platinum(IV)","","- C10 H27 I Pt Sb2 -","- C10 H27 I Pt Sb2 -","- C40 H108 I4 Pt4 Sb8 -","4","0.5","","Brown, Michael D.; Levason, William; Reid, Gillian; Webster, Michael","Preparation, properties and structures of the first series of organometallic Pt(II) and Pt(IV) complexes with stibine co-ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1667","1674","10.1039/b514019f","","","0.71073","MoKα","","0.0558","0.0346","","","0.0644","0.0703","","","","","","1.066","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006851","11.868","0.002","23.175","0.004","11.228","0.002","90","","90","","90","","3088.2","0.9","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H50 Ag N5 O14 Pt -","- C16 H50 Ag N5 O14 Pt -","- C64 H200 Ag4 N20 O56 Pt4 -","4","0.5","","Liu, Fenghui; Chen, Wanzhi; Wang, Daqi","Synthesis and structural characterization of one- and two-dimensional coordination polymers based on platinum-silver metallic backbones.","Dalton transactions (Cambridge, England : 2003)","2006","","24","3015","3024","10.1039/b514757c","","","0.71073","MoKα","","0.0162","0.0146","","","0.0355","0.0361","","","","","","1.068","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006950","20.7058","0.0002","17.731","0.0002","17.347","0.0002","90","","90","","90","","6368.68","0.12","173","2","173","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C50 H83 Ce Li1.82 N6 Na1.18 O0.5 -","- C50 H77 Ce Li1.824 N6 Na1.176 O0.5 -","- C200 H308 Ce4 Li7.296 N24 Na4.704 O2 -","4","0.5","","Hitchcock, Peter B.; Huang, Qigu; Lappert, Michael F.; Wei, Xue-Hong; Zhou, Meisu","Synthesis and structures of some heterometallic [(Li, Y)2, (M3, Ce) (M = Li or Na), (Li, Zr2) and (Li, Zr)4] oligomeric diamides derived from 1,2-bis(neopentylamino)benzene.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2991","2997","10.1039/b515790k","","x-ray","0.71073","MoKα","","0.0591","0.0479","","","0.1505","0.1586","","","","","","1.109","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7006951","28.8173","0.0008","17.9042","0.0004","12.1605","0.0004","90","","90","","90","","6274.2","0.3","173","2","173","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","","","- C52 H88 Ce N6 Na3 O -","- C52 H88 Ce N6 Na3 O -","- C208 H352 Ce4 N24 Na12 O4 -","4","0.5","","Hitchcock, Peter B.; Huang, Qigu; Lappert, Michael F.; Wei, Xue-Hong; Zhou, Meisu","Synthesis and structures of some heterometallic [(Li, Y)2, (M3, Ce) (M = Li or Na), (Li, Zr2) and (Li, Zr)4] oligomeric diamides derived from 1,2-bis(neopentylamino)benzene.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2991","2997","10.1039/b515790k","","x-ray","0.71073","MoKα","","0.091","0.0763","","","0.2084","0.2177","","","","","","1.208","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006952","30.4296","0.0003","17.9713","0.0002","11.8585","0.0001","90","","90","","90","","6484.93","0.11","173","2","173","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","","","","- C54 H92 Ce N6 Na3 -","- C54 H92 Ce N6 Na3 -","- C216 H368 Ce4 N24 Na12 -","4","0.5","","Hitchcock, Peter B.; Huang, Qigu; Lappert, Michael F.; Wei, Xue-Hong; Zhou, Meisu","Synthesis and structures of some heterometallic [(Li, Y)2, (M3, Ce) (M = Li or Na), (Li, Zr2) and (Li, Zr)4] oligomeric diamides derived from 1,2-bis(neopentylamino)benzene.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2991","2997","10.1039/b515790k","","x-ray","0.71073","MoKα","","0.0602","0.0479","","","0.1495","0.1573","","","","","","1.173","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006959","27.3088","0.0003","35.138","0.0004","21.2632","0.0003","90","","90","","90","","20403.7","0.4","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","compound dl157","","","- C54 H198 N9 Na2 O168 Rb W36 -","- C38 N6.6 Na2 O161.5 Rb W36 -","- C152 N26.4 Na8 O646 Rb4 W144 -","4","0.5","","Long, De-Liang; Brücher, Oliver; Streb, Carsten; Cronin, Leroy","Inorganic crown: the host-guest chemistry of a high nuclearity 'Celtic-ring' isopolyoxotungstate [H12W36O120]12-.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2852","2860","10.1039/b515935k","","","0.71073","MoKα","","0.085","0.046","","","0.0992","0.1146","","","","","","1.039","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7006960","26.8369","0.001","34.8568","0.0013","21.0337","0.0008","90","","90","","90","","19675.9","1.3","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C54 H194 Cs N9 Na2 O166 W36 -","- C39.02 Cs N6.86 Na1.6 O162.5 W36 -","- C156.08 Cs4 N27.44 Na6.4 O650 W144 -","4","0.5","","Long, De-Liang; Brücher, Oliver; Streb, Carsten; Cronin, Leroy","Inorganic crown: the host-guest chemistry of a high nuclearity 'Celtic-ring' isopolyoxotungstate [H12W36O120]12-.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2852","2860","10.1039/b515935k","","","0.71073","MoKα","","0.0651","0.0386","","","0.087","0.1013","","","","","","1.061","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7006961","27.0818","0.0004","35.1386","0.0004","21.212","0.0003","90","","90","","90","","20185.7","0.5","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Compound dl156","","","- C54 H198 N10 Na2 O166 W36 -","- C37.9 H84.9 N7.1 Na2 O175.4 W36 -","- C151.6 H339.6 N28.4 Na8 O701.6 W144 -","4","0.5","","Long, De-Liang; Brücher, Oliver; Streb, Carsten; Cronin, Leroy","Inorganic crown: the host-guest chemistry of a high nuclearity 'Celtic-ring' isopolyoxotungstate [H12W36O120]12-.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2852","2860","10.1039/b515935k","","","0.71073","MoKα","","0.1107","0.0474","","","0.0813","0.1001","","","","","","1.009","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7006962","27.5918","0.0003","34.9442","0.0003","20.7727","0.0002","90","","90","","90","","20028.5","0.3","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Compound dl154","","","- C54 H197 N9 Na2 O168 Sr W36 -","- C42 H96 N7.4 Na2 O173.8 Sr W36 -","- C168 H384 N29.6 Na8 O695.2 Sr4 W144 -","4","0.5","","Long, De-Liang; Brücher, Oliver; Streb, Carsten; Cronin, Leroy","Inorganic crown: the host-guest chemistry of a high nuclearity 'Celtic-ring' isopolyoxotungstate [H12W36O120]12-.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2852","2860","10.1039/b515935k","","","0.71073","MoKα","","0.0701","0.037","","","0.073","0.0838","","","","","","1.039","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7006963","27.3739","0.0004","35.1269","0.0006","20.952","0.0004","90","","90","","90","","20146.6","0.6","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Compound ob193","","","- C54 H197 Ba1.5 N9 Na O168 W36 -","- C32.4 Ba1.4 N7 Na1.2 O162.2 W36 -","- C129.6 Ba5.6 N28 Na4.8 O648.8 W144 -","4","0.5","","Long, De-Liang; Brücher, Oliver; Streb, Carsten; Cronin, Leroy","Inorganic crown: the host-guest chemistry of a high nuclearity 'Celtic-ring' isopolyoxotungstate [H12W36O120]12-.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2852","2860","10.1039/b515935k","","","0.71073","MoKα","","0.108","0.0652","","","0.156","0.178","","","","","","1.056","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007054","9.14","0.0002","7.3099","0.0001","13.0487","0.0003","90","","90","","90","","871.82","0.03","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H6 Ag N3 O3 -","- C8 H6 Ag N3 O3 -","- C32 H24 Ag4 N12 O12 -","4","0.5","","Abu-Youssef, Morsy A M; Langer, Vratislav; Ohrström, Lars","Synthesis, a case of isostructural packing, and antimicrobial activity of silver(I)quinoxaline nitrate, silver(I)(2,5-dimethylpyrazine) nitrate and two related silver aminopyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2542","2550","10.1039/b516723j","","","0.71073","MoKα","","0.032","0.0233","","","0.0589","0.0653","","","","","","1","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007138","6.9599","0.0019","7.0286","0.0018","12.127","0.003","90","","90","","90","","593.2","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 H7 N4 Na O2 -","- C2 H7 N4 Na O2 -","- C8 H28 N16 Na4 O8 -","4","0.5","","Zhang, Xian-Ming; Zhao, Yan-Fei; Wu, Hai-Shun; Batten, Stuart R.; Ng, Seik Weng","Syntheses and structures of metal tetrazole coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3170","3178","10.1039/b518052j","","","0.71073","MoKα","","0.0667","0.0497","","","0.1188","0.129","","","","","","1.006","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007442","8.3269","0.0002","14.7324","0.0005","19.1904","0.0005","90","","90","","90","","2354.19","0.12","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H26 Cl2 N4 O6 S -","- C18 H26 Cl2 N4 O6 S -","- C72 H104 Cl8 N16 O24 S4 -","4","0.5","","Yue, Nancy L. S.; Jennings, Michael C.; Puddephatt, Richard J.","Ring-opening polymerization of coordination complexes: silver(I) complexes with bis(amidopyridine) ligands derived from thiophene.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3886","3893","10.1039/b605340h","","","0.71073","MoKα","","0.1113","0.0871","","","0.2588","0.2833","","","","","","1.109","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007471","11.0551","0.0013","8.1413","0.0003","9.399","0.001","90","","90","","90","","845.94","0.14","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","N-methyl-piperazine palladium dichloride","N-methyl-piperazine palladium dichloride","","- C5 H12 Cl2 N2 Pd -","- C5 H12 Cl2 N2 Pd -","- C20 H48 Cl8 N8 Pd4 -","4","0.5","","Anderson, Carly E.; Apperley, David C.; Batsanov, Andrei S.; Dyer, Philip W.; Howard, Judith A. K.","Concise syntheses of tridentate PNE ligands and their coordination chemistry with palladium(II) : a solution- and solid-state study.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4134","4145","10.1039/b605995c","","","0.71073","MoKα","","0.02","0.0187","","","0.0471","0.0479","","","","","","1.054","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007499","14.0065","0.001","11.6044","0.0011","8.5136","0.0005","90","","90","","90","","1383.78","0.18","153.1","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H25 Cl2 Cu N5 -","- C5 H25 Cl2 Cu N5 -","- C20 H100 Cl8 Cu4 N20 -","4","0.5","","Sah, Ajay K.; Tanase, Tomoaki","Amine mediated proton transfer reaction and C-Cl bond activation of solvent chloroform by a trinuclear copper(II) complex of a glucopyranosylamine derived ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3742","3751","10.1039/b606485j","","","0.7107","MoKα","","","0.037","","","","0.048","","","","","","0.735","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007638","12.041","0.002","14.217","0.003","7.403","0.0015","90","","90","","90","","1267.3","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C2 H6 Co0.5 N2 O3 Pd0.5 -","- C2 Co0.5 N2 O3 Pd0.5 -","- C16 Co4 N16 O24 Pd4 -","8","1","","Robertson, Nicholas J.; Qin, Zengquan; Dallinger, Gregory C.; Lobkovsky, Emil B.; Lee, Stephen; Coates, Geoffrey W.","Two-dimensional double metal cyanide complexes: highly active catalysts for the homopolymerization of propylene oxide and copolymerization of propylene oxide and carbon dioxide.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5390","5395","10.1039/b607963f","","","0.936","synchrotron","","0.0579","0.0535","","","0.1599","0.1651","","","","","","1.144","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007702","14.1784","0.0013","20.5223","0.0014","10.1765","0.0007","90","","90","","90","","2961.1","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H37 Br Mn2 N2 O8 -","- C26 H37 Br Mn2 N2 O8 -","- C104 H148 Br4 Mn8 N8 O32 -","4","0.5","","Moreno, Diego; Palopoli, Claudia; Daier, Verónica; Shova, Sergiu; Vendier, Laure; Sierra, Manuel González; Tuchagues, Jean-Pierre; Signorella, Sandra","Synthesis, structure and catalase-like activity of dimanganese(III) complexes of 1,5-bis(X-salicylidenamino)pentan-3-ol (X = 3- and 5-methyl). Influence of phenyl-ring substituents on catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2006","","43","5156","5166","10.1039/b609366c","","","0.71073","MoKα","","0.085","0.0703","","","0.1557","0.1617","","","","","","1.077","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007941","27.9433","0.0017","13.7494","0.0008","18.862","0.0011","90","","90","","90","","7246.8","0.7","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C64 H104 Cl2 Co2 N4 O21 -","- C64 H102 Cl2 Co2 N4 O21 -","- C256 H408 Cl8 Co8 N16 O84 -","4","0.5","","Fontecha, Julia Barreira; Goetz, Sandrine; McKee, Vickie","Dinuclear complexes of a pseudocalixarene macrocycle: structural consequences of intramolecular hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2005","","5","923","929","10.1039/b413639j","","","0.71073","MoKα","","0.1362","0.0992","","","0.2476","0.2786","","","","","","1.091","","","","has coordinates,has disorder","179783","2020-10-21","18:00:00",""
"7007942","27.9805","0.0012","13.705","0.0006","18.8743","0.0008","90","","90","","90","","7237.8","0.5","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C64 H104 Cl2 N4 Ni2 O21 -","- C64 H102 Cl2 N4 Ni2 O21 -","- C256 H408 Cl8 N16 Ni8 O84 -","4","0.5","","Fontecha, Julia Barreira; Goetz, Sandrine; McKee, Vickie","Dinuclear complexes of a pseudocalixarene macrocycle: structural consequences of intramolecular hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2005","","5","923","929","10.1039/b413639j","","","0.71073","MoKα","","0.084","0.0764","","","0.1899","0.1949","","","","","","1.196","","","","has coordinates,has disorder","179783","2020-10-21","18:00:00",""
"7007999","14.0408","0.0008","16.8481","0.001","9.3995","0.0005","90","","90","","90","","2223.6","0.2","140","2","140","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H33 Br2 O P Pt -","- C19 H33 Br2 O P Pt -","- C76 H132 Br8 O4 P4 Pt4 -","4","0.5","","Béni, Zoltán; Ros, Renzo; Tassan, Augusto; Scopelliti, Rosario; Roulet, Raymond","Oxidative addition of iodo-acetonitrile and of elemental halogens to [Pt3(mu-CO)3(PCy3)3].","Dalton transactions (Cambridge, England : 2003)","2005","","2","315","325","10.1039/b415311a","","","0.71073","MoKα","","0.047","0.0446","","","0.0971","0.0984","","","","","","1.187","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7008133","17.089","0.0005","12.1972","0.0006","7.8032","0.0009","90","","90","","90","","1626.5","0.2","183","2","183","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C12 H8 B Cl F4 N3 O3 Re -","- C12 H8 B Cl F4 N3 O3 Re -","- C48 H32 B4 Cl4 F16 N12 O12 Re4 -","4","0.5","","Kurz, Philipp; Rattat, Dirk; Angst, Daniela; Schmalle, Helmut; Spingler, Bernhard; Alberto, Roger; Berke, Heinz; Beck, Wolfgang","The chemistry of the fac-[Re(CO)2(NO)]2+ fragment in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2005","","4","804","810","10.1039/b417425a","","","0.71073","MoKα","","0.0522","0.043","","","0.118","0.1211","","","","","","1.025","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008184","8.0485","0.0007","7.2993","0.0007","17.7872","0.0019","90","","90","","90","","1044.97","0.18","293","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","CpNi(dmid)","","","- C8 H5 Ni O S4 -","- C8 H5 Ni O S4 -","- C32 H20 Ni4 O4 S16 -","4","0.5","","Fourmigué, Marc; Avarvari, Narcis","A series of neutral radical CpNi(dithiolene). complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1365","1371","10.1039/b418756n","","x-ray","0.71073","MoKα","","","0.0263","","","","0.0615","","","","","","0.937","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008230","14.5968","0.0002","18.6325","0.0003","15.3796","0.0002","90","","90","","90","","4182.86","0.1","150","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12.5 H47 Mo7 N8.5 Na2 O33 -","- C12.5 H24 Mo7 N8.5 Na2 O33 -","- C50 H96 Mo28 N34 Na8 O132 -","4","0.5","","Long, De-Liang; Kögerler, Paul; Farrugia, Louis J.; Cronin, Leroy","Reactions of a {Mo16}-type polyoxometalate cluster with electrophiles: a synthetic, theoretical and magnetic investigation.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1372","1380","10.1039/b419301f","","","0.71073","MoKα","","0.0548","0.0373","","","0.0973","0.1039","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008260","10.8155","0.0005","10.2095","0.0005","16.5041","0.0011","90","","90","","90","","1822.4","0.17","183","2","183","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H26 Cl2 F N5 O2 -","- C12 H26 Cl2 F N5 O2 -","- C48 H104 Cl8 F4 N20 O8 -","4","0.5","","Spingler, Bernhard; Da Pieve, Chiara","Induction of B- to Z-DNA transition by copper and zinc complexes with C(15) substituted macrocyclic pentaaza ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1637","1643","10.1039/b500317b","","","0.71073","MoKα","","0.0581","0.0526","","","0.1508","0.1567","","","","","","1.057","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008322","16.573","0.003","22.284","0.005","12.794","0.003","90","","90","","90","","4725","1.8","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C49 H75 N2 Si Sm -","- C49 H75 N2 Si Sm -","- C196 H300 N8 Si4 Sm4 -","4","0.5","","Cui, Chunming; Shafir, Alexandr; Schmidt, Joseph A. R.; Oliver, Allen G.; Arnold, John","Synthesis and characterization of mono beta-diketiminatosamarium amides and hydrocarbyls.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1387","1393","10.1039/b501437a","","","0.71073","MoKα","","0.0602","0.0379","","","0.0901","0.0997","","","","","","1.02","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008429","13.981","0.001","7.24","0.001","12.209","0.001","90","","90","","90","","1235.8","0.2","143","2","143","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H9 Au Br5 P -","- C3 H10 Au Br5 P -","- C12 H40 Au4 Br20 P4 -","4","0.5","","Schneider, Daniel; Schuster, Oliver; Schmidbaur, Hubert","Bromination of (phosphine)gold(I) bromide complexes: stoichiometry and structure of products.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1940","1947","10.1039/b502861b","","","0.71073","MoKα","","0.0258","0.0254","","","0.0613","0.0614","","","","","","1.238","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008567","13.5775","0.0003","14.618","0.0004","8.1168","0.0002","90","","90","","90","","1610.99","0.07","150","","150","","","","","","","","?","7","P n m a","-P 2ac 2n","62","","","","- C3 H12 F2 N2 O13 S2 U2 -","- C3 H12 F2 N2 O13 S2 U2 -","- C12 H48 F8 N8 O52 S8 U8 -","4","0.5","","Doran, Michael B.; Cockbain, Ben E.; O'Hare, Dermot","Structural variation in organically templated uranium sulfate fluorides.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1774","1780","10.1039/b504457j","","","0.71073","MoKα","","0.0624","0.0206","","0.0552","0.0464","0.0464","","","","","","0.9248","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008662","15.5633","0.0002","8.7799","0.0001","24.8873","0.0003","90","","90","","90","","3400.71","0.07","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29.384 H24 Cd3 Cl1.616 N8.384 -","- C29.384 H23 Cd3 Cl1.616 N8.384 -","- C117.536 H92 Cd12 Cl6.464 N33.536 -","4","0.5","","Yoshikawa, Hirofumi; Nishikiori, Shin-ichi","Crystal structures and spectroscopic properties of polycyano-polycadmate host clathrates including a CT complex guest of methylviologen dication and aromatic donor.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3056","3064","10.1039/b505722a","","","0.71069","MoKα","","0.0907","0.0332","","","0.1089","0.1184","","","","","","0.712","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008741","11.535","0.001","12.242","0.001","17.296","0.002","90","","90","","90","","2442.4","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H33 Cl2 N3 O10 S2 -","- C14 H34 Cl2 N3 O10 S2 -","- C56 H136 Cl8 N12 O40 S8 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Bencini, Andrea; Blake, Alexander J.; Caltagirone, Claudia; Decortes, Antonello; Demartin, Francesco; Devillanova, Francesco A.; Faggi, Enrico; Dolci, Luisa Stella; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Prodi, Luca; Wilson, Claire; Valtancoli, Barbara; Zaccheroni, Nelsi","Coordination chemistry of N-aminopropyl pendant arm derivatives of mixed N/S-, and N/S/O-donor macrocycles, and construction of selective fluorimetric chemosensors for heavy metal ions.","Dalton transactions (Cambridge, England : 2003)","2005","","18","2994","3004","10.1039/b506785e","","","0.71073","MoKα","","0.119","0.0745","","","0.2431","0.2538","","","","","","0.955","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008785","14.503","0.003","12.9769","0.0015","15.918","0.003","90","","90","","90","","2995.8","0.9","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C27 H31 N3 Ni P2 S2 -","- C27 H31 N3 Ni P2 S2 -","- C108 H124 N12 Ni4 P8 S8 -","4","0.5","","Chang, Xiaohong; Lee, Kyung-Eun; Il Jeon, Sang; Kim, Yong-Joo; Lee, H.-K.; Lee, Soon W.","Bis(isothiocyanato)bis(phosphine) complexes of group 10 metals: reactivity toward organic isocyanides","Dalton Transactions","2005","","23","3722","","10.1039/b508134c","","","0.71073","MoKα","","0.1722","0.0661","","","0.117","0.1542","","","","","","1","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008905","17.125","0.007","12.45","0.005","14.184","0.004","90","","90","","90","","3024.1","1.9","296.2","","296.2","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C12 H38 Br3 Mo N6 O Rh2 S6 -","- C12 H36 Br3 Mo N6 O Rh2 S6 -","- C48 H144 Br12 Mo4 N24 O4 Rh8 S24 -","4","0.5","","Miyashita, Yoshitaro; Yamada, Yasunori; Fujisawa, Kiyoshi; Konno, Takumi; Kanamori, Kan; Okamoto, Ken-ichi","Stereochemistry and electrochemical properties of molybdenum ions incorporated into S-bridged polynuclear structures","Journal of the Chemical Society, Dalton Transactions","2000","","6","981","","10.1039/a906665i","","","0.7107","MoKα","","0.0557","0.0557","","","0.0703","0.0703","","","","","","1.383","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009046","15.476","0.002","12.1587","0.001","7.0261","0.0008","90","","90","","90","","1322.1","0.3","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H15 Br3 Cr N3 -","- C6 H15 Br3 Cr N3 -","- C24 H60 Br12 Cr4 N12 -","4","0.5","","Baker, Murray V.; Brown, David H.; Skelton, Brian W.; White, Allan H.","Group 6 metal complexes of 1,3,5-tri(4-pentynyl)-1,3,5-triazacyclohexane","Journal of the Chemical Society, Dalton Transactions","2000","","5","763","","10.1039/a908349i","","","0.71073","MoKα","","0.04","0.031","","0.045","","0.044","","","1.489","","","1.585","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7009057","10.3676","0.0013","12.905","0.0016","11.6964","0.0015","90","","90","","90","","1564.9","0.3","158","","158","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Dy -","- C18 H23 Dy -","- C72 H92 Dy4 -","4","0.5","","Evans, William J.; Johnston, Matthew A.; Clark, Robert D.; Ziller, Joseph W.","Variability of (ring centroid)‒Ln‒(ring centroid) angles in the mixed ligand C5Me5/C8H8 complexes (C5Me5)Ln(C8H8) and [(C5Me5)Yb(THF)](μ-η8∶η8-C8H8)[Yb(C5Me5)]","Journal of the Chemical Society, Dalton Transactions","2000","","10","1609","","10.1039/a908412f","","","0.71073","MoKα","","0.0362","0.0277","","","0.0769","0.0967","","","","","","1.112","","","","has coordinates,has disorder","179794","2020-10-21","18:00:00",""
"7009059","10.3018","0.0005","13.0166","0.0006","11.6035","0.0006","90","","90","","90","","1555.96","0.13","158","","158","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Yb -","- C18 Yb -","- C72 Yb4 -","4","0.5","","Evans, William J.; Johnston, Matthew A.; Clark, Robert D.; Ziller, Joseph W.","Variability of (ring centroid)‒Ln‒(ring centroid) angles in the mixed ligand C5Me5/C8H8 complexes (C5Me5)Ln(C8H8) and [(C5Me5)Yb(THF)](μ-η8∶η8-C8H8)[Yb(C5Me5)]","Journal of the Chemical Society, Dalton Transactions","2000","","10","1609","","10.1039/a908412f","","","0.71073","MoKα","","0.0237","0.022","","0.0623","0.0616","","","","1.112","1.134","1.134","","","","","has coordinates","179794","2020-10-21","18:00:00",""
"7009060","10.441","0.0006","12.8707","0.0008","11.7331","0.0007","90","","90","","90","","1576.73","0.16","158","","158","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Sm -","- C18 H23 Sm -","- C72 H92 Sm4 -","4","0.5","","Evans, William J.; Johnston, Matthew A.; Clark, Robert D.; Ziller, Joseph W.","Variability of (ring centroid)‒Ln‒(ring centroid) angles in the mixed ligand C5Me5/C8H8 complexes (C5Me5)Ln(C8H8) and [(C5Me5)Yb(THF)](μ-η8∶η8-C8H8)[Yb(C5Me5)]","Journal of the Chemical Society, Dalton Transactions","2000","","10","1609","","10.1039/a908412f","","","0.71073","MoKα","","0.044","0.0266","","0.0524","0.0485","","","","1.115","1.213","1.213","","","","","has coordinates","179794","2020-10-21","18:00:00",""
"7009266","20.6376","0.0005","15.3639","0.0004","9.0517","0.0002","90","","90","","90","","2870.06","0.12","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H12 O10 Os3 Te2 -","- C22 H12 O10 Os3 Te2 -","- C88 H48 O40 Os12 Te8 -","4","0.5","","Zhang, Junlian; Leong, Weng Kee","The reaction of diphenyl ditelluride with triosmium clusters","Journal of the Chemical Society, Dalton Transactions","2000","","8","1249","","10.1039/a909628k","","","0.71073","MoKα","","0.0438","0.0332","","","0.0749","0.0807","","","","","","1.078","","","","has coordinates","179796","2020-10-21","18:00:00",""
"7009332","16.584","0.003","13.214","0.003","8.419","0.002","90","","90","","90","","1844.9","0.7","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H23 Cl2 Nb Si2 -","- C14 H23 Cl2 Nb Si2 -","- C56 H92 Cl8 Nb4 Si8 -","4","0.5","","Bakhmutov, Vladimir I.; Howard, Judith A. K.; Keen, David A.; Kuzmina, Lyudmila G.; Leech, Michael A.; Nikonov, Georgii I.; Vorontsov, Eugenii V.; Wilson, Chick C.","Combined single crystal neutron diffraction and solution NMR relaxation studies of mono- and bis(silyl) substituted niobocene hydrides with nonclassical interligand interactions","Journal of the Chemical Society, Dalton Transactions","2000","","10","1631","","10.1039/b000089m","","neutron","","neutron","","","0.062","","","0.098","","","","","1.185","1.185","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7009386","17.255","0.0004","34.4538","0.0006","24.5191","0.001","90","","90","","90","","14576.6","0.7","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C136 H180 Cl6 N16 O27 Zn4 -","- C136 H178 Cl6 N16 O27 Zn4 -","- C544 H712 Cl24 N64 O108 Zn16 -","4","0.5","","Plater, M. John; Foreman, Mark R. St. J.; Gelbrich, Thomas; Hursthouse, Michael B.","Synthesis and characterisation of infinite di- and tri-nuclear zinc co-ordination networks with flexible dipyridyl ligands","Journal of the Chemical Society, Dalton Transactions","2000","","13","1995","","10.1039/b000566p","","","0.71073","MoKα","","0.2385","0.1108","","","0.1996","0.221","","","","","","1.272","","","","has coordinates","179797","2020-10-21","18:00:00",""
"7009387","10.338","0.002","12.819","0.002","15.032","0.005","90","","90","","90","","1992.1","0.8","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H33 N Si Zr -","- C19 H33 N Si Zr -","- C76 H132 N4 Si4 Zr4 -","4","0.5","","Dahlmann, Marc; Schottek, Jörg; Fröhlich, Roland; Kunz, Doris; Nissinen, Maija; Erker, Gerhard; Fink, Gerhard; Kleinschmidt, Ralph","Structural characterization of M(s-cis-η4-C4H6)(Me4C5SiMe2NR) (M = Ti or Zr, R = CMe3 or CHCMe(1-C10H7))","Journal of the Chemical Society, Dalton Transactions","2000","","12","1881","","10.1039/b000570n","","","0.71073","MoKα","","0.0991","0.0401","","","0.0964","0.1173","","","","","","0.999","","","","has coordinates","179797","2020-10-21","18:00:00",""
"7009388","10.496","0.004","12.629","0.002","15.201","0.002","90","","90","","90","","2015","0.9","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H33 N Si Ti -","- C19 H33 N Si Ti -","- C76 H132 N4 Si4 Ti4 -","4","0.5","","Dahlmann, Marc; Schottek, Jörg; Fröhlich, Roland; Kunz, Doris; Nissinen, Maija; Erker, Gerhard; Fink, Gerhard; Kleinschmidt, Ralph","Structural characterization of M(s-cis-η4-C4H6)(Me4C5SiMe2NR) (M = Ti or Zr, R = CMe3 or CHCMe(1-C10H7))","Journal of the Chemical Society, Dalton Transactions","2000","","12","1881","","10.1039/b000570n","","","0.71073","MoKα","","0.1325","0.0642","","","0.1944","0.2129","","","","","","1.068","","","","has coordinates","179797","2020-10-21","18:00:00",""
"7009573","14.362","0.002","19.037","0.003","8.9251","0.0014","90","","90","","90","","2440.2","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H20 Cu2 N3 P -","- C28 H20 Cu2 N2 P -","- C112 H80 Cu8 N8 P4 -","4","0.5","","Zhao, Yingjun; Hong, Maochun; Su, Weiping; Cao, Rong; Zhou, Zhongyuan; Chan, Albert S. C.","Synthesis and characterization of two copper cyanide complexes with hexagonal Cu6 units","Journal of the Chemical Society, Dalton Transactions","2000","","11","1685","","10.1039/b002096f","","","0.71073","MoKα","","0.0707","0.0432","","0.1277","0.1156","","","","0.908","1.048","1.048","","","","","has coordinates","179799","2020-10-21","18:00:00",""
"7009661","9.894","0.002","13.846","0.003","19.856","0.006","90","","90","","90","","2720.1","1.2","150","2","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H15 I3 S -","- C6 H15 I3 S -","- C48 H120 I24 S8 -","8","1","","Svensson, Per H.; Kloo, Lars","A vibrational spectroscopic, structural and quantum chemical study of the triiodide ion","Journal of the Chemical Society, Dalton Transactions","2000","","14","2449","","10.1039/b002492i","","","0.7107","MoKalpha","","","0.0662","","","0.0735","","","","","2.559","2.559","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009674","16.733","0.003","22.687","0.002","8.719","0.001","90","","90","","90","","3309.9","0.8","133","2","133","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H56 Cl2 N4 O Si4 -","- C22 H56 Cl2 N4 O Si4 -","- C88 H224 Cl8 N16 O4 Si16 -","4","0.5","","Jaschke, Bettina; Herbst-Irmer, Regine; Klingebiel, Uwe; Pape, Thomas","cis-2,4-Diamino-2,4-dichloro-1,3-bis(di-tert-butylmethylsilyl)cyclodisilazane—synthesis and crystal structure","Journal of the Chemical Society, Dalton Transactions","2000","","12","1827","","10.1039/b002634o","","","0.71073","MoKα","","0.0437","0.0369","","","0.0843","0.0886","","","","","","1.131","","","","has coordinates","179800","2020-10-21","18:00:00",""
"7009772","13.0351","0.0004","7.7296","0.0002","6.1895","0.0002","90","","90","","90","","623.63","0.03","123","2","123","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cuprous dicyanamide acetonitile","","- C4 H3 Cu N4 -","- C4 H3 Cu N4 -","- C16 H12 Cu4 N16 -","4","0.5","","Batten, Stuart R.; Harris, Alexander R.; Jensen, Paul; Murray, Keith S.; Ziebell, Angela","Copper(I) dicyanamide coordination polymers: ladders, sheets, layers, diamond-like networks and unusual interpenetration †","Journal of the Chemical Society, Dalton Transactions","2000","","21","3829","","10.1039/b003527k","","","0.71073","MoKα","","0.0212","0.0186","","","0.0418","0.0425","","","","","","1.119","","","","has coordinates","179801","2020-10-21","18:00:00",""
"7009899","11.896","0.003","11.297","0.003","18.236","0.008","90","","90","","90","","2450.7","1.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H18 Br3 O3 Re Ru -","- C21 H18 Br3 O3 Re Ru -","- C84 H72 Br12 O12 Re4 Ru4 -","4","0.5","","da Silva, Ana C.; Piotrowski, Holger; Mayer, Peter; Polborn, Kurt; Severin, Kay","Heterometallic bromo-bridged complexes with a Re(CO)3 fragment","Journal of the Chemical Society, Dalton Transactions","2000","","17","2960","","10.1039/b004262p","","","0.71073","MoKα","","0.0713","0.0405","","0.084","0.0683","","","","1.203","1.18","1.18","","","","","has coordinates","179802","2020-10-21","18:00:00",""
"7009992","24.034","0.008","20.018","0.005","16.304","0.004","90","","90","","90","","7844","4","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C71 H53 Cl8 Co7 N9 O19 -","- C71 H53 Cl8 Co7 N9 O19 -","- C284 H212 Cl32 Co28 N36 O76 -","4","0.5","","Brechin, Euan K.; Graham, Alasdair; Parkin, Andrew; Parsons, Simon; Seddon, Annela M.; Winpenny, Richard E. P.","Structural studies of heptanuclear cobalt complexes and larger oligomers based on heptanuclear fragments","Journal of the Chemical Society, Dalton Transactions","2000","","19","3242","","10.1039/b005019i","","","0.71073","MoKα","","0.2048","0.0897","","","0.176","0.2317","","","","","","1.007","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7010047","10.538","0.001","12.001","0.001","14.136","0.002","90","","90","","90","","1787.7","0.3","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2,2,2-tris(dimethylamido)-closo-2,1,7-tantalacarborane","","- C8 H29 B9 N3 Ta -","- C8 H29 B9 N3 Ta -","- C32 H116 B36 N12 Ta4 -","4","0.5","","Batsanov, Andrei S.; Eva, Pauline A.; Fox, Mark A.; Howard, Judith A. K.; Hughes, Andrew K.; Johnson, Andrew L.; Martin, Aileen M.; Wade, Ken","First structural characterisation of a 2,1,12-MC2B9 metallacarborane, [2,2,2-(NMe2)3-closo-2,1,12-TaC2B9H11]. Trends in boron NMR shifts on replacing a {BH} vertex with a metal {MLn} vertex in icosahedral carboranes","Journal of the Chemical Society, Dalton Transactions","2000","","20","3519","","10.1039/b005294i","","","0.71073","MoKα","","0.0554","0.0524","","","0.1364","0.1377","","","","","","1.32","","","","has coordinates","179804","2020-10-21","18:00:00",""
"7010072","6.5408","0.0003","13.5187","0.0007","14.8583","0.0008","90","","90","","90","","1313.82","0.12","89","2","89","2","","","","","","","","6","P n m a","-P 2ac 2n","62","[Au(CH3OCNHCH3)2][CF3COO]","","","- C8 H14 Au F3 N2 O4 -","- C8 H14 Au F3 N2 O4 -","- C32 H56 Au4 F12 N8 O16 -","4","0.5","","Jiang, Feilong; Olmstead, Marilyn M.; Balch, Alan L.","Aurophilic attractions: one cation, [Au{C(OMe)NMeH}2]+, but three different structural arrangements in the solid state salts","Journal of the Chemical Society, Dalton Transactions","2000","","22","4098","","10.1039/b005684g","","","0.71073","MoKα","","0.0202","0.0171","","","0.0395","0.0405","","","","","","1.068","","","","has coordinates,has disorder","179804","2020-10-21","18:00:00",""
"7010396","11.246","0.001","9.373","0.002","15.291","0.002","90","","90","","90","","1611.8","0.4","293","","293","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H24 Cl2 Cu N4 O4 -","- C9 H24 Cl2 Cu N4 O4 -","- C36 H96 Cl8 Cu4 N16 O16 -","4","0.5","","Choi, Min-Ho; Kim, Bok Jo; Kim, Il-Chool; Kim, Seo-Hyang; Kim, Yang; Harrowfield, Jack M.; Lee, Man-Kil; Mocerino, Mauro; Rukmini, Elisabeth; Skelton, Brian W.; White, Allan H.","Inter- and intra-molecular pathways in polyamine synthesis from diamines †","Journal of the Chemical Society, Dalton Transactions","2001","","5","707","","10.1039/b008452m","","","0.71073","MoKα","","0.041","0.031","","0.041","","0.04","","","1.351","","","1.448","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7010470","15.9019","0.0001","20.5627","0.0003","8.1489","0.0001","90","","90","","90","","2664.58","0.05","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H18 Eu2 O19 S4 -","- C20 H18 Eu2 O19 S4 -","- C80 H72 Eu8 O76 S16 -","4","0.5","","Xiong, Ren-Gen; Zhang, Jing; Chen, Zhen-Feng; You, Xiao-Zeng; Che, Chi-Ming; Fun, Hoong-Kun","In situ ligand synthesis and the first crystallographically characterized lanthanide 3-D pillared networks containing benzene-1,4-disulfonate as a building block †","Journal of the Chemical Society, Dalton Transactions","2001","","6","780","","10.1039/b009542g","","","0.71073","MoKα","","0.0627","0.0615","","","0.1567","0.1574","","","","","","1.221","","","","has coordinates","179808","2020-10-21","18:00:00",""
"7010471","15.855","0.002","20.492","0.003","8.1388","0.0011","90","","90","","90","","2644.3","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H18 Gd2 O19 S4 -","- C20 H12 Gd2 O19 S4 -","- C80 H48 Gd8 O76 S16 -","4","0.5","","Xiong, Ren-Gen; Zhang, Jing; Chen, Zhen-Feng; You, Xiao-Zeng; Che, Chi-Ming; Fun, Hoong-Kun","In situ ligand synthesis and the first crystallographically characterized lanthanide 3-D pillared networks containing benzene-1,4-disulfonate as a building block †","Journal of the Chemical Society, Dalton Transactions","2001","","6","780","","10.1039/b009542g","","","0.71073","MoKα","","0.0965","0.0877","","","0.2598","0.2649","","","","","","2.125","","","","has coordinates","179808","2020-10-21","18:00:00",""
"7010515","21.053","0.004","14.046","0.004","14.439","0.003","90","","90","","90","","4269.8","1.7","173","2","173","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C40 H39 B Cl6 N6 O2 P Rh -","- C40 H39 B Cl6 N6 O2 P Rh -","- C160 H156 B4 Cl24 N24 O8 P4 Rh4 -","4","0.5","","Connelly, Neil G.; Emslie, David J. H.; Hayward, Owen D.; Orpen, A. Guy; Quayle, Michael J.","Redox-active catecholate complexes of rhodium hydrotris(pyrazolyl)borates","Journal of the Chemical Society, Dalton Transactions","2001","","6","875","","10.1039/b010061g","","","0.71073","MoKα","","0.0907","0.0459","","0.0932","0.0779","","","","1.115","1.149","1.149","","","","","has coordinates","179809","2020-10-21","18:00:00",""
"7010516","26.1501","0.0013","13.756","0.003","14.6012","0.0011","90","","90","","90","","5252.4","1.2","173","2","173","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C42 H43 B Cl10 F6 N6 O2 P2 Rh -","- C42 H43 B Cl10 F6 N6 O2 P2 Rh -","- C168 H172 B4 Cl40 F24 N24 O8 P8 Rh4 -","4","0.5","","Connelly, Neil G.; Emslie, David J. H.; Hayward, Owen D.; Orpen, A. Guy; Quayle, Michael J.","Redox-active catecholate complexes of rhodium hydrotris(pyrazolyl)borates","Journal of the Chemical Society, Dalton Transactions","2001","","6","875","","10.1039/b010061g","","","0.71073","MoKα","","0.0568","0.0435","","","0.1084","0.1153","","","","","","1.04","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7010632","9.5","0.01","10.901","0.01","17.79","0.01","90","","90","","90","","1842","3","296.2","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C13 H22 Ag F3 N2 O5 S -","- C13 H22 Ag F3 N2 O5 S -","- C52 H88 Ag4 F12 N8 O20 S4 -","4","0.5","","Habata, Yoichi; Yamashita, Yoshitomo; Akabori, Sadatoshi","A [3.3]paracyclophane-like silver complex with 4'-pyridylmethyl-armed monoaza 15-crown-5 ether","Journal of the Chemical Society, Dalton Transactions","2001","","7","966","","10.1039/b101391m","","","0.7107","MoKα","","","0.0649","","","","0.1785","","","","","","1.123","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010727","12.1131","0.0001","13.9583","0.0002","15.9437","0.0002","90","","90","","90","","2695.73","0.06","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","trans(Cl)-[Ru(4,4'-TBubpy)(CO)2Cl2]","","","- C21 H25 Cl5 N2 O2 Ru -","- C21 H24 Cl5 N2 O2 Ru -","- C84 H96 Cl20 N8 O8 Ru4 -","4","0.5","","Toni-J. J. Kinnunen; Matti Haukka; Matti Nousiainen; Antti Patrikka; Tapani A. Pakkanen","Electron withdrawing and electron donating effects of 4,4'-bipyridine substituents on ruthenium mono(bipyridine) complexes","J. Chem. Soc., Dalton Trans.","2001","","18","2649","2654","10.1039/b103067c","","","0.71073","MoKα","","0.0501","0.0461","","","0.1194","0.1242","","","","","","1.064","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7010797","10.3082","0.001","6.2577","0.0006","16.486","0.002","90","","90","","90","","1063.44","0.19","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","?","- C3 H12 Al N O10 P S -","- C12 H48 Al4 N4 O40 P4 S4 -","4","0.5","","Zakowsky, Nadja; Wheatley, Paul S.; Bull, Ivor; Attfield, Martin P.; Morris, Russell E.","Synthesis and structure of an aluminium 3-aminopropylphosphonate sulfate hydrate","Journal of the Chemical Society, Dalton Transactions","2001","","19","2899","","10.1039/b103911n","","","0.6887","","","0.0921","0.0717","","0.2124","0.1929","","","","1.073","1.146","1.146","","","","","has coordinates","179811","2020-10-21","18:00:00",""
"7010844","19.964","0.001","12.6772","0.0006","11.2548","0.0003","90","","90","","90","","2848.5","0.2","180","2","180","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H45 Li O4 Zn3 -","- C19 H45 Li O4 Zn3 -","- C76 H180 Li4 O16 Zn12 -","4","0.5","","Bond, Andrew D.; Linton, David J.; Schooler, Paul; Wheatley, Andrew E. H.","Solvent-dependent assembly of mixed-metal N,N′-diphenylbenzamidinate oxide and alkoxide complexes","Journal of the Chemical Society, Dalton Transactions","2001","","21","3173","","10.1039/b104444n","","","0.71073","MoKα","","0.0858","0.05","","","0.1293","0.1528","","","","","","1.068","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011253","14.21","0.003","7.121","0.002","20.478","0.005","90","","90","","90","","2072.2","0.9","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H24 N2 O2 Pt S2 -","- C20 H25 N2 O2 Pt S2 -","- C80 H100 N8 O8 Pt4 S8 -","4","0.5","","Christopher J. Adams","Synthesis and reactions of dimethyltin dithiooxalate: a convenient dithiooxalate transfer reagent","J. Chem. Soc., Dalton Trans.","2002","","7","1545","1550","10.1039/b109520j","","","0.71073","MoKα","","0.0543","0.0303","","","0.061","0.0672","","","","","","0.944","","","","has coordinates","179816","2020-10-21","18:00:00",""
"7011333","6.991","0.002","5.707","0.002","6.952","0.003","90","","90","","90","","277.37","0.17","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B0.5 H0.5 O1.5 Sr0.5 -","- B0.5 O1.5 Sr0.5 -","- B4 O12 Sr4 -","8","1","","Yu, Zhen-Tao; Shi, Zhan; Chen, Wei; Jiang, Yu-Sheng; Yuan, Hong-Ming; Chen, Jie-Sheng","Synthesis and X-ray crystal structures of two new alkaline-earth metal borates: SrBO2(OH) and Ba3B6O9(OH)6","Journal of the Chemical Society, Dalton Transactions","2002","","9","2031","","10.1039/b110468c","","","0.71073","MoKα","","0.0366","0.0349","","","0.0896","0.0909","","","","","","1.173","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011876","14.29","0.002","6.919","0.002","16.189","0.002","90","","90","","90","","1600.6","0.6","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","[Ag2(1,3-[6]aneS2)(BF4)(Cl)]","bis(1,3-dithicyclohexane) bis(silver) tetrafluroborate chloride","","- C8 H16 Ag2 B Cl F4 S4 -","- C8 H16 Ag2 B Cl F4 S4 -","- C32 H64 Ag8 B4 Cl4 F16 S16 -","4","0.5","","Brammer, Lee; Rodger, Colin S.; Blake, Alexander J.; Brooks, Neil R.; Champness, Neil R.; Cunningham, John W.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Bridging mode flexibility of 1,3-dithiacyclohexane in silver(i) co-ordination polymers","Journal of the Chemical Society, Dalton Transactions","2002","","22","4134","","10.1039/b205278b","","","0.6891","synchrotron","","0.0466","0.0369","","","0.0771","0.0791","","","","","","1.267","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7011994","18.068","0.003","27.733","0.004","9.15","0.001","90","","90","","90","","4584.9","1.1","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C39 H50 B N8 O9 Re S2 -","- C39 H48 B N8 O9 Re S2 -","- C156 H192 B4 N32 O36 Re4 S8 -","4","0.5","","Raquel Garcia; Yong-Heng Xing; António Paulo; Ângela Domingos; Isabel Santos","Rhenium(I) tricarbonyl complexes with mercaptoimidazolylborate ligands bearing piperazine fragments","J. Chem. Soc., Dalton Trans.","2002","","22","4236","4241","10.1039/b206603n","","","0.71073","MoKα","","0.16","0.07","","0.3496","0.1487","","","","1.062","1.096","1.096","","","","","has coordinates","179823","2020-10-21","18:00:00",""
"7012020","20.011","0.003","8.0039","0.001","6.4946","0.0014","90","","90","","90","","1040.2","0.3","160","2","160","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C2 H11 B10 I -","- C2 H11 B10 I -","- C8 H44 B40 I4 -","4","0.5","","Gemma Barberà; Clara Viñas; Francesc Teixidor; Georgina M. Rosair; Alan J. Welch","Self-assembly of carborane molecules via C‒HI hydrogen bonding: the molecular and crystal structures of 3-I-1,2-closo-C2B10H11","J. Chem. Soc., Dalton Trans.","2002","","19","3647","3648","10.1039/b206892n","","","0.71073","MoKα","","0.0373","0.032","","","0.0773","0.0802","","","","","","1.042","","","","has coordinates","179824","2020-10-21","18:00:00",""
"7012133","12.079","0.003","10.96","0.003","9.231","0.003","90","","90","","90","","1222.1","0.6","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[CoCl2(Me2NCH2NMeCH2NMe2)]","","","- C7 H19 Cl2 Co N3 -","- C7 H19 Cl2 Co N3 -","- C28 H76 Cl8 Co4 N12 -","4","0.5","","Hitchcock, Peter B.; Handley, Darren A.; Huei Lee, Ting; Jeffery Leigh, G.","Anomalous reactions of the diamine Me2NCH2NMe2 with nickel(ii) and cobalt(ii)","Journal of the Chemical Society, Dalton Transactions","2002","","24","4720","","10.1039/b207818j","","","0.71073","MoKα","","0.0512","0.0317","","","0.0599","0.0658","","","","","","1.045","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012220","7.668","0.003","7.668","0.003","13.882","0.005","90","","90","","90","","816.2","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 Cd N2 O5 -","- C5 H6 Cd N2 O5 -","- C20 H24 Cd4 N8 O20 -","4","0.5","","Maji, Tapas Kumar; Konar, Sanjit; Mostafa, Golam; Zangrando, Ennio; Lu, Tian-Huey; Ray Chaudhuri, Nirmalendu","Self-assembly of new three-dimensional molecular architectures of Cd(II) and Ag(I)‒Na(I) using croconate as a building block","Dalton Transactions","2003","","2","171","","10.1039/b208933p","","","0.71073","MoKα","","0.0872","0.0639","","","0.1493","0.1667","","","","","","1.109","","","","has coordinates","179826","2020-10-21","18:00:00",""
"7012399","23.941","0.003","17.131","0.002","10.832","0.001","90","","90","","90","","4442.6","0.9","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C46 H70 K2 N4 O2 -","- C46 H70 K2 N4 O2 -","- C184 H280 K8 N16 O8 -","4","0.5","","Wang, Jun; Gardiner, Michael G.; Peacock, Evan J.; Skelton, Brian W.; White, Allan H.","Structural control of metalloporphyrinogens by macrocycle modification: steric blocking of the macrocyclic cavity through trans-N,N'-dimethylation","Dalton Transactions","2003","","2","161","","10.1039/b210600k","","","0.71073","MoKα","","0.061","0.04","","0.05","","0.047","","","1.364","","","1.489","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7012438","17.34","0.004","17.788","0.004","12.037","0.002","90","","90","","90","","3712.7","1.3","130","1","130","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H42 Cl2 O6 P6 Rh4 -","- C22 H42 Cl2 O6 P6 Rh4 -","- C88 H168 Cl8 O24 P24 Rh16 -","4","0.5","","Besançon, Katya; Lumini, Tito; Laurenczy, Gàbor; Detti, Serena; Schenk, Kurt; Roulet, Raymond","Crystal structure and fluxional behaviour in solution of [Rh4(CO)6(µ-Me2PCH2PMe2)3]Electronic supplementary information (ESI) available: regression of the Eyring plot of [Rh4(CO)6(µ-Me2PCH2PMe2)3] as measured by 13C‒NMR between 169 and 293 K in CD2Cl2. 31P‒NMR spectra of [Rh4(CO)6(µ-Me2PCH2PMe2)3] in CD2Cl2 at three different temperatures. See http://www.rsc.org/suppdata/dt/b2/b210986g/","Dalton Transactions","2003","","5","968","","10.1039/b210986g","","","0.56086","AgKα","","0.0349","0.0212","","","0.0461","0.0471","","","","","","2.089","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012546","19.1104","0.0005","10.804","0.0003","7.4292","0.0002","90","","90","","90","","1533.9","0.07","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","(1,2,3,4,5-pentamethyl cyclopentadienyl)(tricarbonyl)tungsten(buta-1,3-diynyl)","","","- C17 H16 O3 W -","- C17 H16 O3 W -","- C68 H64 O12 W4 -","4","0.5","","Roberts, Rachel L.; Puschmann, Horst; Howard, Judith A. K.; Yamamoto, John H.; Carty, Arthur J.; Low, Paul J.","Synthesis and structure of a series of tungsten(ii) and tungsten(vi) diynyl and diyndiyl complexes","Dalton Transactions","2003","","6","1099","","10.1039/b212074g","","","0.71073","MoKα","","0.03","0.0227","","","0.0427","0.0446","","","","","","1.109","","","","has coordinates","179829","2020-10-21","18:00:00",""
"7012707","11.896","0.002","19.191","0.006","9.294","0.002","90","","90","","90","","2121.8","0.9","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C15 H24 Cl2 Mo2 O4 P2 -","- C15 H24 Cl2 Mo2 O4 P2 -","- C60 H96 Cl8 Mo8 O16 P8 -","4","0.5","","Pérez, Julio; Morales, Dolores; Riera, Víctor; Rodríguez, Amor; García-Granda, Santiago","Reactivity of the labile complex [MoCl(η3-allyl)(CO)2(NCMe)2] with diphosphanes","Dalton Transactions","2003","","8","1641","","10.1039/b300350g","","","0.71073","MoKα","","0.0439","0.0287","","","0.0739","0.0918","","","","","","1.123","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012765","11.7498","0.0006","15.3318","0.0014","8.6902","0.0008","90","","90","","90","","1565.5","0.2","173","2","173","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","[Me3AlNH(Ph)(CH2tBu)]","","","- C14 H26 Al N -","- C14 H26 Al N -","- C56 H104 Al4 N4 -","4","0.5","","Bezombes, Jean-Philippe; Gehrhus, Barbara; Hitchcock, Peter B.; Lappert, Michael F.; Merle, Philippe G.","A comparative study of the behaviour of N-trimethylsilyl and N-neopentyl-anilines and 1,2-diaminobenzenes towards trimethylalane; X-ray structures of nine Al‒N compounds","Dalton Transactions","2003","","9","1821","","10.1039/b300957m","","x-ray","0.71073","MoKα","","0.0754","0.061","","","0.1238","0.1288","","","","","","1.228","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7012808","17.286","0.0013","25.521","0.0019","10.112","0.0007","90","","90","","90","","4461","0.6","213","2","213","2","","","","","","","","8","P n m a","-P 2ac 2n","62","[Re2(hpp)4Cl2](PF6) 2acetone","","","- C34 H60 Cl2 F6 N12 O2 P Re2 -","- C34 H60 Cl2 F6 N12 O2 P Re2 -","- C136 H240 Cl8 F24 N48 O8 P4 Re8 -","4","0.5","","Berry, John F.; Albert Cotton, F.; Huang, Penglin; Murillo, Carlos A.","A highly oxidized Re27+ species with an electron-poor bond of order 3.5","Dalton Transactions","2003","","7","1218","","10.1039/b301360j","","","0.71073","MoKα","","0.0455","0.0316","","","0.0685","0.0763","","","","","","1.081","","","","has coordinates,has disorder","179832","2020-10-21","18:00:00",""
"7012912","11.284","0.001","12.541","0.001","9.71","0.003","90","","90","","90","","1374.1","0.5","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(2,4,6-tris-trifluoromethyl-phenyl)-trichloro-germane","(2,4,6-tris-trifluoromethyl-phenyl)-trichloro-germane","","- C9 H2 Cl3 F9 Ge -","- C9 H2 Cl3 F9 Ge -","- C36 H8 Cl12 F36 Ge4 -","4","0.5","","Andrei S. Batsanov; Stéphanie M. Cornet; Keith B. Dillon; Andrés E. Goeta; Amber L. Thompson; Bao Yu Xue","The synthesis and characterisation of some Group 14 compounds containing the 2,4,6-(CF3)3C6H2, 2,6-(CF3)2C6H3 or 2,4-(CF3)2C6H3 ligands","Dalton Trans.","2003","","12","2496","2502","10.1039/b302544f","","","0.71073","MoKα","","0.0251","0.0217","","","0.0543","0.0555","","","","","","1.064","","","","has coordinates","179833","2020-10-21","18:00:00",""
"7013012","16.8417","0.0009","20.974","0.003","9.1888","0.0004","90","","90","","90","","3245.8","0.5","183","2","183","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C35 H46 Mg N2 -","- C35 H46 Mg N2 -","- C140 H184 Mg4 N8 -","4","0.5","","Dove, Andrew P.; Gibson, Vernon C.; Hormnirun, Pimpa; Marshall, Edward L.; Segal, John A.; White, Andrew J. P.; Williams, David J.","Low coordinate magnesium chemistry supported by a bulky ?-diketiminate ligand","Dalton Transactions","2003","","15","3088","","10.1039/b303550f","","","1.54178","CuKα","","0.0595","0.0445","","0.1284","0.1117","","","","1.018","1.049","1.049","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013024","16.8591","0.0016","17.3905","0.0012","8.7547","0.0007","90","","90","","90","","2566.8","0.4","140","2","140","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C31 H24 N2 P2 -","- C31 H24 N2 P2 -","- C124 H96 N8 P8 -","4","0.5","","Fei, Zhaofu; Scopelliti, Rosario; Dyson, Paul J.","Influence of the functional group on the synthesis of aminophosphines, diphosphinoamines and iminobiphosphines","Dalton Transactions","2003","","13","2772","","10.1039/b303645f","","","0.71073","MoKα","","0.0962","0.0784","","","0.1419","0.1488","","","","","","1.292","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7013083","19.183","0.004","16.407","0.003","15.806","0.003","90","","90","","90","","4974.7","1.7","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C52 H61 B F4 Ir O2 P3 -","- C52 H50 B F4 Ir O2 P3 -","- C208 H200 B4 F16 Ir4 O8 P12 -","4","0.5","","Brym, Markus; Jones, Cameron; Waugh, Mark","The reactivity of an iridaphosphirene complex, [Ir{?C(But)P(Cy)}(CO)(PPh3)2], Cy = cyclohexyl, toward electrophiles","Dalton Transactions","2003","","14","2889","","10.1039/b304076n","","","0.71073","MoKα","","0.0684","0.0547","","","0.1199","0.1258","","","","","","1.092","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7013427","25.229","0.009","23.162","0.008","12.495","0.005","90","","90","","90","","7302","5","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C54 H108 Br Mo3 N3 O12 S7 -","- C54.001 Br Mo3 N3 O12 S7 -","- C216.004 Br4 Mo12 N12 O48 S28 -","4","0.5","","Garriga, Juan Manuel; Llusar, Rosa; Uriel, Santiago; Vicent, Cristian; Usher, Alistair J.; Lucas, Nigel T.; Humphrey, Mark G.; Samoc, Marek","Synthesis and third-order nonlinear optical properties of [Mo3(�3-S)(�2-S2)3]4+ clusters with maleonitriledithiolate, oxalate and thiocyanate ligands","Dalton Transactions","2003","","23","4546","","10.1039/b307753e","","","0.71073","MoKα","","0.0811","0.061","","","0.1475","0.1591","","","","","","1.088","","","","has coordinates,has disorder","179838","2020-10-21","18:00:00",""
"7013513","30.26","0.004","23.199","0.003","16.6631","0.0019","90","","90","","90","","11698","3","125","2","125","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C2 H69 K6 Mo12 N14 O64.5 S28 -","- C2 K6 Mo12 N14 O64.5 S28 -","- C8 K24 Mo48 N56 O258 S112 -","4","0.5","","Miras, Haralampos N.; Derek Woollins, J.; Slawin, Alexandra M.; Raptis, Raphael; Baran, Peter; Kabanos, Themistoklis A.","A novel polyoxo(thio)molybdenum(V) sulfite compound: Synthesis and crystal structure of {[Mo2V(�-S)2O2]6(�3-SO3)4(�-SO3)12}20? anion","Dalton Transactions","2003","","19","3668","","10.1039/b309473c","","","0.71073","MoKα","","0.1263","0.0607","","","0.1566","0.1769","","","","","","0.916","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013655","11.5297","0.0003","20.7719","0.0003","24.2993","0.0005","90","","90","","90","","5819.5","0.2","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C61 H71 Cl2 N O9 P2 Pd -","- C61 H71 Cl2 N O9 P2 Pd -","- C244 H284 Cl8 N4 O36 P8 Pd4 -","4","0.5","","van der Vlugt, Jarl Ivar; Sablong, Rafael; Mills, Allison M.; Kooijman, Huub; Spek, Anthony L.; Meetsma, Auke; Vogt, Dieter","Coordination chemistry and X-ray studies with novel sterically constrained diphosphonite ligands","Dalton Transactions","2003","","24","4690","","10.1039/b311328k","","","0.71073","MoKα","","0.0564","0.0352","","","0.0758","0.0837","","","","","","1.023","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7013659","11.6735","0.001","21.125","0.002","23.744","0.003","90","","90","","90","","5855.3","1.1","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C62 H71 Cl N O10 P2 Rh -","- C62 H71 Cl N O10 P2 Rh -","- C248 H284 Cl4 N4 O40 P8 Rh4 -","4","0.5","","van der Vlugt, Jarl Ivar; Sablong, Rafael; Mills, Allison M.; Kooijman, Huub; Spek, Anthony L.; Meetsma, Auke; Vogt, Dieter","Coordination chemistry and X-ray studies with novel sterically constrained diphosphonite ligands","Dalton Transactions","2003","","24","4690","","10.1039/b311328k","","","0.71073","MoKα","","0.0732","0.0424","","","0.0881","0.0987","","","","","","1.026","","","","has coordinates","179840","2020-10-21","18:00:00",""
"7013777","10.169","0.002","12.744","0.003","16.181","0.003","90","","90","","90","","2097","0.8","122","1","122","1","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C12 H25 Cl F3 Mn N4 O9 S -","- C12 H25 Cl F3 Mn N4 O9 S -","- C48 H100 Cl4 F12 Mn4 N16 O36 S4 -","4","0.5","","Mossin, Susanne; Weihe, Høgni; Sørensen, Henning Osholm; Lima, Nicola; Sessoli, Roberta","Rationalisation of weak ferromagnetism in manganese(III) chains: the relation between structure and ordering phenomena.","Dalton transactions (Cambridge, England : 2003)","2004","","4","632","639","10.1039/b314355d","","","0.71073","MoKα","","0.0393","0.0276","","","0.0679","0.0726","","","","","","1.063","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013836","9.591","0.0013","15.155","0.0013","15.256","0.002","90","","90","","90","","2217.5","0.5","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H28 Cl Fe O2 Sb -","- C21 H28 Cl Fe O2 Sb -","- C84 H112 Cl4 Fe4 O8 Sb4 -","4","0.5","","Weber, Lothar; Pumpenmeier, Lars; Stammler, Hans-Georg; Neumann, Beate","Synthesis, structure and reactivity of ferrio-chloro-phosphanes, -arsanes and -stibanes [(CO)2(eta5-C5Me5)FePn(Cl)R] (Pn = P, As, Sb); R = tetramethylcyclopentadienyl, 2,7-di-tert-butylfluorenyl, 2,7-di-tert-butyl-9-trimethylsilylfluorenyl) as precursor to novel metallo-phosphaalkenes, -arsaalkenes, and -stibaalkenes.","Dalton transactions (Cambridge, England : 2003)","2004","","4","659","667","10.1039/b315221a","","","0.71073","MoKα","","0.0588","0.0324","","","0.0675","0.0794","","","","","","1.108","","","","has coordinates,has disorder","179842","2020-10-21","18:00:00",""
"7013841","22.361","0.002","10.3537","0.0008","7.8268","0.0006","90","","90","","90","","1812.1","0.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Potassium diperoxo citrato oxomolybdenum(VI) tetrahydrate","","","- C6 H12 K4 Mo O16 -","- C6 H12 K4 Mo O16 -","- C24 H48 K16 Mo4 O64 -","4","0.5","","Zhou, Zhao-Hui; Hou, Shu-Ya; Wan, Hui-Lin","Peroxomolybdate(VI)-citrate and -malate complex interconversions by pH-dependence. Synthetic, structural and spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1393","1399","10.1039/b315280d","","","0.71073","MoKα","","0.042","0.031","","","0.075","0.079","","","","","","1.01","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013860","15.9893","0.0006","12.8602","0.0004","8.4619","0.0002","90","","90","","90","","1739.98","0.09","180","2","180","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C16 H15 Br0.2 Cl0.8 Li N3 Si -","- C16 H15 Br0.2 Cl0.8 Li N3 Si -","- C64 H60 Br0.8 Cl3.2 Li4 N12 Si4 -","4","0.5","","García, Felipe; Hopkins, Alexander D.; Humphrey, Simon M.; McPartlin, Mary; Rogers, Michael C.; Wright, Dominic S.","The first example of a Si-bridged tris(pyridyl) ligand; synthesis and structure of [MeSi(2-C5H4N)3LiX](X = 0.2Br, 0.8Cl).","Dalton transactions (Cambridge, England : 2003)","2004","","3","361","362","10.1039/b315503j","","","0.71073","MoKα","","0.0764","0.0463","","","0.0872","0.0982","","","","","","1.044","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7013945","24.063","0.003","13.5575","0.0016","6.8122","0.0008","90","","90","","90","","2222.4","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Copper(i) Iodide 2:1 Complex with 2,2,7,7-Tetramethyl- 1,2,3,6,7,8-Hexahydro-cinnolino(5,4,3-cde)cinnoline, acetonitrile solvate","Copper(I) Iodide 2:1 Complex with 2,2,7,7-Tetramethyl-1,2,3,6,7,8-Hexahydro-cinnolino[5,4,3-cde]cinnoline, acetonitrile solvate","","- C18 H23 Cu2 I2 N5 -","- C18 H23 Cu2 I2 N5 -","- C72 H92 Cu8 I8 N20 -","4","0.5","","Solntsev, Pavlo V.; Sieler, Joachim; Krautscheid, Harald; Domasevitch, Konstantin V.","Fused pyridazines: rigid multidentates for designing and fine-tuning the structure of hybrid organic/inorganic frameworks.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1153","1158","10.1039/b316561b","","","0.71073","MoKα","","0.0264","0.0246","","","0.0583","0.0591","","","","","","1.172","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013967","9.4428","0.0008","12.8854","0.0011","16.5058","0.0013","90","","90","","90","","2008.3","0.3","150","2","150","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C16 H38 Si2 -","- C16 H38 Si2 -","- C64 H152 Si8 -","4","0.5","","Hinchley, Sarah L.; Robertson, Heather E.; Parkin, Andrew; Rankin, David W. H.; Tekautz, Günther; Hassler, Karl","Molecular structure of 1,1,2,2-tetra-tert-butyldisilane: unusual structural motifs in sterically crowded disilanes.","Dalton transactions (Cambridge, England : 2003)","2004","","5","759","766","10.1039/b316701a","","","0.71073","MoKα","","0.0815","0.0646","","","0.152","0.1616","","","","","","1.079","","","","has coordinates,has disorder","179843","2020-10-21","18:00:00",""
"7014059","14.554","0.003","11.561","0.002","9.921","0.003","90","","90","","90","","1669.3","0.7","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H24 Al Cl2 N3 Si -","- C10 H14 Al Cl2 N3 Si -","- C40 H56 Al4 Cl8 N12 Si4 -","4","0.5","","Passarelli, Vincenzo; Benetollo, Franco; Zanella, Pierino","Solution dynamics and molecular structure elucidation of novel aluminium derivatives containing diaminodimethylsilane ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1424","1431","10.1039/b400661e","","","0.71073","MoKα","","0.0936","0.0913","","","0.1975","0.1993","","","","","","1.238","","","","has coordinates,has disorder","179844","2020-10-21","18:00:00",""
"7014316","14.229","0.007","14.689","0.009","16.264","0.004","90","","90","","90","","3399","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C23 H38 B I N6 O2 Yb -","- C23 B I N6 O2 Yb -","- C92 B4 I4 N24 O8 Yb4 -","4","0.5","","Zhang, X. W.; Maunder, Graham H.; Giessmann, Stefan; MacDonald, Robert; Ferguson, Michael J.; Bond, Andrew H.; Rogers, Robin D.; Sella, Andrea; Takats, Josef","Stable heteroleptic complexes of divalent lanthanides with bulky pyrazolylborate ligands‒iodides, hydrocarbyls and triethylborohydrides.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","195","210","10.1039/c0dt00162g","","","0.71073","MoKα","","","0.073","","","0.098","","","","","","","1.93","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014445","23.0307","0.0008","7.3474","0.0002","6.3121","0.0003","90","","90","","90","","1068.11","0.07","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","catena[(μ2-dicyanamido-N,N'')-(μ3-dicyanamido-N,N',N'')-(pyridazine-N)-cobalt(II)]","","- C8 H4 Co N8 -","- C8 H4 Co N8 -","- C32 H16 Co4 N32 -","4","0.5","","Wriedt, Mario; Näther, Christian","Directed synthesis of μ-1,3,5 bridged dicyanamides by thermal decomposition of μ-1,5 bridged precursor compounds.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","886","898","10.1039/c0dt00864h","","","0.71073","MoKα","","0.0478","0.0433","","","0.0781","0.0795","","","","","","1.337","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014446","23.235","0.002","7.4044","0.0007","6.3484","0.0004","90","","90","","90","","1092.19","0.16","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","catena[(μ2-dicyanamido-N,N'')-(μ3-dicyanamido-N,N',N'')-(pyridazine-N)-iron(II)]","","- C8 H4 Fe N8 -","- C8 H4 Fe N8 -","- C32 H16 Fe4 N32 -","4","0.5","","Wriedt, Mario; Näther, Christian","Directed synthesis of μ-1,3,5 bridged dicyanamides by thermal decomposition of μ-1,5 bridged precursor compounds.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","886","898","10.1039/c0dt00864h","","","0.71073","MoKα","","0.0433","0.033","","","0.0785","0.0822","","","","","","1.082","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014447","23.3983","0.00017","7.5143","0.0004","6.3676","0.0004","90","","90","","90","","1119.56","0.09","170","2","170","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","catena[(μ2-dicyanamido-N,N'')-(μ3-dicyanamido-N,N',N'')-(pyridazine-N)-manganese(II)]","","- C8 H4 Mn N8 -","- C8 H4 Mn N8 -","- C32 H16 Mn4 N32 -","4","0.5","","Wriedt, Mario; Näther, Christian","Directed synthesis of μ-1,3,5 bridged dicyanamides by thermal decomposition of μ-1,5 bridged precursor compounds.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","886","898","10.1039/c0dt00864h","","","0.71073","MoKα","","0.0386","0.0326","","","0.0819","0.0844","","","","","","1.082","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014485","14.8802","0.0015","18.604","0.0019","9.5356","0.001","90","","90","","90","","2639.8","0.5","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H20 Co N6 O6 -","- C27 H20 Co N6 O6 -","- C108 H80 Co4 N24 O24 -","4","0.5","","Ren, Chen; Hou, Lei; Liu, Bin; Yang, Guo-Ping; Wang, Yao-Yu; Shi, Qi-Zhen","Distinct structures of coordination polymers incorporating flexible triazole-based ligand: topological diversities, crystal structures and property studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","793","804","10.1039/c0dt00894j","","","0.71073","MoKα","","0.0862","0.0597","","","0.161","0.1809","","","","","","1.04","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7015129","7.2127","0.0002","21.4781","0.0006","9.7942","0.0003","90","","90","","90","","1517.27","0.08","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H8 Cl4 Cu O10 S2 -","- C6 H8 Cl4 Cu O10 S2 -","- C24 H32 Cl16 Cu4 O40 S8 -","4","0.5","","Muesmann, Thomas W. T.; Zitzer, Christina; Mietrach, Andrea; Klüner, Thorsten; Christoffers, Jens; Wickleder, Mathias S.","para-Benzene disulfonic acid and its tetrachloro and tetrafluoro derivatives‒studies towards polyhalogenated metal-organic-frameworks with sulfo analogues of terephthalic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3128","3141","10.1039/c0dt01223h","","","0.71073","MoKα","","0.0308","0.0266","","","0.0707","0.0736","","","","","","1.032","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015600","10.256","0.003","7.899","0.004","9.157","0.005","90","","90","","90","","741.8","0.6","125","2","125","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 H12 F5 N2 V -","- C2 H12 F5 N2 V -","- C8 H48 F20 N8 V4 -","4","0.5","","Aidoudi, Farida H.; Byrne, Peter J.; Allan, Pheobe K.; Teat, Simon J.; Lightfoot, Philip; Morris, Russell E.","Ionic liquids and deep eutectic mixtures as new solvents for the synthesis of vanadium fluorides and oxyfluorides.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4324","4331","10.1039/c0dt01765e","","","0.71073","MoKα","","0.1226","0.1164","","","0.3419","0.3474","","","","","","1.168","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015615","11.5913","0.0001","9.9055","0.0001","14.6572","0.0002","90","","90","","90","","1682.9","0.03","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13.32 H8 Au2 Br0.68 N5.32 Zn -","- C13.327 H8 Au2 Br0.673 N5.327 Zn -","- C53.308 H32 Au8 Br2.692 N21.308 Zn4 -","4","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Thermally triggered reductive elimination of bromine from Au(III) as a path to Au(I)-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4140","4146","10.1039/c0dt01772h","","","0.71073","MoKα","","0.0605","0.0301","","0.0505","0.0362","0.0354","","","","","","1.0723","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015687","7.4125","0.0005","14.5742","0.0009","7.6693","0.0005","90","","90","","90","","828.52","0.09","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd4.42 Si4 Zr0.58 -","- Gd4.422 Si4 Zr0.578 -","- Gd17.688 Si16 Zr2.312 -","4","0.5","","Yao, Jinlei; Lyutyy, Pavlo; Mozharivskyj, Yurij","Crystal structure, coloring problem and magnetism of Gd(5-x)Zr(x)Si4.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4275","4283","10.1039/c0dt01821j","","","0.71073","MoKα","","0.0275","0.0169","","","0.0184","0.0194","","","","","","0.933","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015688","7.4492","0.0004","14.6413","0.0009","7.6985","0.0005","90","","90","","90","","839.64","0.09","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd4.67 Si4 Zr0.33 -","- Gd4.678 Si4 Zr0.322 -","- Gd18.712 Si16 Zr1.288 -","4","0.5","","Yao, Jinlei; Lyutyy, Pavlo; Mozharivskyj, Yurij","Crystal structure, coloring problem and magnetism of Gd(5-x)Zr(x)Si4.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4275","4283","10.1039/c0dt01821j","","","0.71073","MoKα","","0.0333","0.0216","","","0.0274","0.0288","","","","","","0.942","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7016226","17.276","0.0012","13.5998","0.0009","9.8227","0.0005","90","","90","","90","","2307.8","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H36 N4 O Zr -","- C18 H36 N4 O Zr -","- C72 H144 N16 O4 Zr4 -","4","0.5","","Ayinla, Rashidat O.; Schafer, Laurel L.","Intermolecular hydroamination of oxygen-substituted allenes. New routes for the synthesis of N,O-chelated zirconium and titanium amido complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7769","7776","10.1039/c1dt10448a","","","0.71073","MoKα","","0.0401","0.027","","","0.0645","0.0712","","","","","","1.044","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016227","17.289","0.002","13.0762","0.0013","9.6677","0.0008","90","","90","","90","","2185.6","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H36 N4 O Ti -","- C18 H36 N4 O Ti -","- C72 H144 N16 O4 Ti4 -","4","0.5","","Ayinla, Rashidat O.; Schafer, Laurel L.","Intermolecular hydroamination of oxygen-substituted allenes. New routes for the synthesis of N,O-chelated zirconium and titanium amido complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7769","7776","10.1039/c1dt10448a","","","0.71073","MoKα","","0.0611","0.0413","","","0.1033","0.1145","","","","","","1.046","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016235","32.112","0.002","5.6402","0.0002","3.9579","0.0002","90","","90","","90","","716.85","0.06","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi Er O9 W2 -","- Bi Er O9 W2 -","- Bi4 Er4 O36 W8 -","4","0.5","","Li, Ye-Yu; Cheng, Wen-Dan; Zhang, Hao; Lin, Chen-Sheng; Zhang, Wei-Long; Geng, Lei; Chai, Guo-Liang; Luo, Zhong-Zhen; He, Zhang-Zhen","A series of novel rare-earth bismuth tungstate compounds LnBiW(2)O(9) (Ln = Ce, Sm, Eu, Er): Synthesis, crystal structure, optical and electronic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7357","7364","10.1039/c1dt10460h","","","0.71073","MoKα","","0.0383","0.0354","","","0.0879","0.09","","","","","","1.075","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016236","32.295","0.003","5.6524","0.0007","3.9845","0.0004","90","","90","","90","","727.35","0.13","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi Eu O9 W2 -","- Bi Eu O9 W2 -","- Bi4 Eu4 O36 W8 -","4","0.5","","Li, Ye-Yu; Cheng, Wen-Dan; Zhang, Hao; Lin, Chen-Sheng; Zhang, Wei-Long; Geng, Lei; Chai, Guo-Liang; Luo, Zhong-Zhen; He, Zhang-Zhen","A series of novel rare-earth bismuth tungstate compounds LnBiW(2)O(9) (Ln = Ce, Sm, Eu, Er): Synthesis, crystal structure, optical and electronic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7357","7364","10.1039/c1dt10460h","","","0.71073","MoKα","","0.0343","0.0318","","","0.0721","0.074","","","","","","1.006","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016237","32.38","0.02","5.664","0.004","3.996","0.003","90","","90","","90","","732.9","0.9","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi O9 Sm W2 -","- Bi O9 Sm W2 -","- Bi4 O36 Sm4 W8 -","4","0.5","","Li, Ye-Yu; Cheng, Wen-Dan; Zhang, Hao; Lin, Chen-Sheng; Zhang, Wei-Long; Geng, Lei; Chai, Guo-Liang; Luo, Zhong-Zhen; He, Zhang-Zhen","A series of novel rare-earth bismuth tungstate compounds LnBiW(2)O(9) (Ln = Ce, Sm, Eu, Er): Synthesis, crystal structure, optical and electronic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7357","7364","10.1039/c1dt10460h","","","0.71073","MoKα","","0.045","0.0424","","","0.1013","0.1032","","","","","","1.009","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016242","12.8021","0.0003","17.5227","0.0004","8.744","0.0002","90","","90","","90","","1961.52","0.08","123.1","","123.1","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H27 Cl2 N3 Ti -","- C16 H27 Cl2 N3 Ti -","- C64 H108 Cl8 N12 Ti4 -","4","0.5","","Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Zhang, Shu","Effect of ligand substituents in olefin polymerisation by half-sandwich titanium complexes containing monoanionic iminoimidazolidide ligands-MAO catalyst systems.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7842","7849","10.1039/c1dt10467e","","","0.71075","MoKα","","","0.0369","","","","0.0993","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016307","7.0359","0.0004","14.701","0.0008","19.4779","0.0009","90","","90","","90","","2014.69","0.18","140","2","140","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C17 H20 F3 N3 O3 Pd S -","- C17 H20 F3 N3 O3 Pd S -","- C68 H80 F12 N12 O12 Pd4 S4 -","4","0.5","","Ren, Peng; Vechorkin, Oleg; Csok, Zsolt; Salihu, Isuf; Scopelliti, Rosario; Hu, Xile","Pd, Pt, and Ru complexes of a pincer bis(amino)amide ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8906","8911","10.1039/c1dt10195a","","","0.71073","MoKα","","0.0185","0.0171","","","0.0446","0.0452","","","","","","1.069","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016723","19.0219","0.0007","15.6776","0.0008","6.1422","0.0003","90","","90","","90","","1831.71","0.15","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H30 F2 N P -","- C18 H30 F2 N P -","- C72 H120 F8 N4 P4 -","4","0.5","","Huynh, Keith; Chun, Cindy P.; Lough, Alan J.; Manners, Ian","Donor-stabilised cations, phosphinamide anions, and unusual oxidative cyclisation products from halogenated phosphoranimines and phosphinimines with a bulky 2,4,6-tri-tert-butylphenyl substituent at nitrogen.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10576","10584","10.1039/c1dt10641d","","","0.71073","MoKα","","0.0713","0.0472","","","0.1141","0.1288","","","","","","1.04","","","","has coordinates,has disorder","179871","2020-10-21","18:00:00",""
"7016760","16.6936","0.0008","22.4261","0.0009","7.639","0.0003","90","","90","","90","","2859.8","0.2","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C36 H37 N Si -","- C36 H37 N Si -","- C144 H148 N4 Si4 -","4","0.5","","Li, Jiaye; Stasch, Andreas; Schenk, Christian; Jones, Cameron","Extremely bulky amido-group 14 element chloride complexes: Potential synthons for low oxidation state main group chemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10448","10456","10.1039/c1dt10678c","","","0.71073","MoKα","","0.0797","0.0491","","","0.1049","0.1185","","","","","","1.064","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016919","12.2711","0.0004","10.3063","0.0003","14.6466","0.0005","90","","90","","90","","1852.35","0.1","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H13 Br N3 O4 Re -","- C16 H13 Br N3 O4 Re -","- C64 H52 Br4 N12 O16 Re4 -","4","0.5","","Griffiths, D. Vaughan; Cheong, Yuen-Ki; Duncanson, Philip; Motevalli, Majid","Studies of the reactions of tripodal pyridine-containing ligands with Re(CO)(5)Br leading to rheniumtricarbonyl complexes with potential biomedical applications.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10215","10228","10.1039/c1dt11020a","","","0.71073","MoKα","","0.0311","0.0248","","","0.0492","0.0521","","","","","","1.115","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7017277","20.2258","0.0014","6.7622","0.0005","7.3688","0.0005","90","","90","","90","","1007.84","0.12","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","AS-14 2-(4-chlorophenyl)-2,4-pentanedione","","- C11 H11 Cl O2 -","- C11 H11 Cl O2 -","- C44 H44 Cl4 O8 -","4","0.5","","Aakeröy, Christer B; Sinha, Abhijeet S.; Chopade, Prashant D.; Desper, John","Halogen bonding or close packing? Examining the structural landscape in a series of Cu(ii)-acac complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12160","12168","10.1039/c1dt10911a","","","0.71073","MoKα","","0.0504","0.0416","","","0.1146","0.1202","","","","","","1.019","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017278","20.4766","0.0018","6.807","0.0006","7.3506","0.0006","90","","90","","90","","1024.56","0.15","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","AS-5 2-(4-bromophenyl)-2,4-pentanedione","","- C11 H11 Br O2 -","- C11 H11 Br O2 -","- C44 H44 Br4 O8 -","4","0.5","","Aakeröy, Christer B; Sinha, Abhijeet S.; Chopade, Prashant D.; Desper, John","Halogen bonding or close packing? Examining the structural landscape in a series of Cu(ii)-acac complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12160","12168","10.1039/c1dt10911a","","","0.71073","MoKα","","0.0384","0.0259","","","0.0604","0.0653","","","","","","1.026","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017279","21.0708","0.0012","6.9034","0.0004","7.3624","0.0004","90","","90","","90","","1070.94","0.1","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","PC-7-3-Iacac 2-(4-iodophenyl)-2,4-pentanedione","","- C11 H11 I O2 -","- C11 H11 I O2 -","- C44 H44 I4 O8 -","4","0.5","","Aakeröy, Christer B; Sinha, Abhijeet S.; Chopade, Prashant D.; Desper, John","Halogen bonding or close packing? Examining the structural landscape in a series of Cu(ii)-acac complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12160","12168","10.1039/c1dt10911a","","","0.71073","MoKα","","0.0209","0.0186","","","0.0467","0.0478","","","","","","1.068","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017292","15.029","0.001","8.5164","0.0006","12.0811","0.0007","90","","90","","90","","1546.3","0.17","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H28 B4 N Y -","- C4 H28 B4 N Y -","- C16 H112 B16 N4 Y4 -","4","0.5","","Jaroń, Tomasz; Grochala, Wojciech","Probing Lewis acidity of Y(BH(4))(3)via its reactions with MBH(4) (M = Li, Na, K, NMe(4)).","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12808","12817","10.1039/c1dt10955c","powder diffraction","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017335","11.002","0.002","6.5944","0.0013","16.235","0.003","90","","90","","90","","1177.9","0.4","293.1","","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H5 Co2 N7 O5 -","- C7 H5 Co2 N7 O5 -","- C28 H20 Co8 N28 O20 -","4","0.5","","Song, Wei-Chao; Tao, Jun; Hu, Tong-Liang; Zeng, Yong-Fei; Bu, Xian-He","Isomorphous tetrazolate Mn(II) and Co(II) compounds built on Δ-chain showing different magnetic behaviors.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11955","11959","10.1039/c1dt11099c","","","0.71073","MoKα","","0.077","0.0493","","","0.0968","0.1051","","","","","","1.151","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017336","11.085","0.002","6.8516","0.0014","16.646","0.003","90","","90","","90","","1264.3","0.4","293.1","","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H5 Mn2 N7 O5 -","- C7 H5 Mn2 N7 O5 -","- C28 H20 Mn8 N28 O20 -","4","0.5","","Song, Wei-Chao; Tao, Jun; Hu, Tong-Liang; Zeng, Yong-Fei; Bu, Xian-He","Isomorphous tetrazolate Mn(II) and Co(II) compounds built on Δ-chain showing different magnetic behaviors.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11955","11959","10.1039/c1dt11099c","","","0.71073","MoKα","","0.0479","0.0408","","","0.0812","0.084","","","","","","1.116","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017451","25.3593","0.0006","10.6747","0.0009","16.5496","0.0012","90","","90","","90","","4480","0.5","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H31 Cl4 N3 Zr -","- C25 H31 Cl4 N3 Zr -","- C100 H124 Cl16 N12 Zr4 -","4","0.5","","Larocque, Timothy G.; Badaj, Anna C.; Dastgir, Sarim; Lavoie, Gino G.","New stable aryl-substituted acyclic imino-N-heterocyclic carbene: synthesis, characterisation and coordination to early transition metals.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12705","12712","10.1039/c1dt11565k","","","0.71073","MoKα","","0.108","0.08","","","0.2419","0.2569","","","","","","1.126","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017459","7.3246","0.0004","13.224","0.0007","22.7669","0.0012","90","","90","","90","","2205.2","0.2","98","2","98","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H18 Co3 N12 O12 S -","- C9 H14 Co3 N12 O12 S -","- C36 H56 Co12 N48 O48 S4 -","4","0.5","","Ouellette, Wayne; Darling, Kari; Prosvirin, Andrey; Whitenack, Kelly; Dunbar, Kim R.; Zubieta, Jon","Syntheses, structural characterization and properties of transition metal complexes of 5,5'-(1,4-phenylene)bis(1H-tetrazole) (H(2)bdt), 5',5''-(1,1'-biphenyl)-4,4'-diylbis(1H-tetrazole) (H(2)dbdt) and 5,5',5''-(1,3,5-phenylene)tris(1H-tetrazole) (H(3)btt).","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12288","12300","10.1039/c1dt11590a","","","0.71073","MoKα","","0.0519","0.0409","","","0.0924","0.0979","","","","","","1.047","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7017611","23.8573","0.0014","16.9901","0.001","17.309","0.001","90","","90","","90","","7016","0.7","160","2","160","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C55 H115 Mo5 N3 O19 Ti -","- C55 H116 Mo5 N3 O19 Ti -","- C220 H464 Mo20 N12 O76 Ti4 -","4","0.5","","Coyle, Laura; Middleton, Paul S.; Murphy, Christopher J.; Clegg, William; Harrington, Ross W.; Errington, R. John","Protonolysis of [((i)PrO)TiMo5O18]3-: access to a family of TiMo5 Lindqvist type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","971","981","10.1039/c1dt11256b","","","0.71073","MoKα","","0.1081","0.0964","","","0.1801","0.1843","","","","","","1.334","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017612","24.049","0.004","17.521","0.003","17.242","0.003","90","","90","","90","","7265","2","160","2","160","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C55 H113 Mo5 N3 O20 Ti -","- C54 H112.5 Mo5 N3 O20 Ti -","- C216 H450 Mo20 N12 O80 Ti4 -","4","0.5","","Coyle, Laura; Middleton, Paul S.; Murphy, Christopher J.; Clegg, William; Harrington, Ross W.; Errington, R. John","Protonolysis of [((i)PrO)TiMo5O18]3-: access to a family of TiMo5 Lindqvist type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","971","981","10.1039/c1dt11256b","","","0.71073","MoKα","","0.2085","0.0748","","","0.1667","0.242","","","","","","0.99","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017618","7.6639","0.0001","13.2857","0.0002","25.1922","0.0005","90","","90","","90","","2565.08","0.07","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H21 Cl2 N3 Zr -","- C23 H21 Cl2 N3 Zr -","- C92 H84 Cl8 N12 Zr4 -","4","0.5","","Rojas, Rene S.; Cabrera, Alan R.; Peoples, Brian C.; Spannhoff, Kirsten; Valderrama, Mauricio; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Synthesis of [(π-cyano-P-nacnac)Cp] and [(π-cyano-nacnac)Cp]-zirconium complexes, and their remote activation for ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1243","1251","10.1039/c1dt11261a","","","0.71073","MoKα","","0.0454","0.0406","","","0.1144","0.119","","","","","","1.015","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7018144","16.5645","0.0004","36.3936","0.0008","12.8741","0.0003","90","","90","","90","","7761","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C77 H77 Cd Ir2 N11 O19 -","- C77 H77 Cd Ir2 N11 O19 -","- C308 H308 Cd4 Ir8 N44 O76 -","4","0.5","","Ho, Mei-Lin; Chen, Yi-An; Chen, Tsai-Chen; Chang, Pei-Jen; Yu, Yi-Ping; Cheng, Kum-Yi; Shih, Chien-Hung; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn","Synthesis, structure and oxygen-sensing properties of Iridium(iii)-containing coordination polymers with different cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2592","2600","10.1039/c2dt11473a","","","0.71073","MoKα","","0.0803","0.0493","","","0.1387","0.1526","","","","","","1.008","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018145","16.164","0.0006","37.4369","0.0014","12.5034","0.0005","90","","90","","90","","7566.2","0.5","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C77 H81 Ir2 N11 Ni O19 -","- C77 H81 Ir2 N11 Ni O19 -","- C308 H324 Ir8 N44 Ni4 O76 -","4","0.5","","Ho, Mei-Lin; Chen, Yi-An; Chen, Tsai-Chen; Chang, Pei-Jen; Yu, Yi-Ping; Cheng, Kum-Yi; Shih, Chien-Hung; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn","Synthesis, structure and oxygen-sensing properties of Iridium(iii)-containing coordination polymers with different cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2592","2600","10.1039/c2dt11473a","","","0.71073","MoKα","","0.0802","0.0563","","","0.1769","0.1878","","","","","","1.157","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018146","16.2229","0.0004","37.1139","0.0009","12.5962","0.0003","90","","90","","90","","7584.1","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C74 H80 Co Ir2 N10 O20 -","- C74 H80 Co Ir2 N11 O20 -","- C296 H320 Co4 Ir8 N44 O80 -","4","0.5","","Ho, Mei-Lin; Chen, Yi-An; Chen, Tsai-Chen; Chang, Pei-Jen; Yu, Yi-Ping; Cheng, Kum-Yi; Shih, Chien-Hung; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn","Synthesis, structure and oxygen-sensing properties of Iridium(iii)-containing coordination polymers with different cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2592","2600","10.1039/c2dt11473a","","","0.71073","MoKα","","0.06","0.0466","","","0.1353","0.1418","","","","","","1.068","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018206","15.0972","0.0005","20.2743","0.0007","8.5553","0.0003","90","","90","","90","","2618.65","0.16","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C25 H26 Br N2 O4 Re -","- C25 H26 Br N2 O4 Re -","- C100 H104 Br4 N8 O16 Re4 -","4","0.5","","Chen, Chang-Hung; Liu, Yi-Hung; Peng, Shie-Ming; Chen, Jwu-Ting; Liu, Shiuh-Tzung","Synthesis of N-heterocyclic carbene rhenium(i) carbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2747","2754","10.1039/c2dt11974a","","","0.71073","MoKα","","0.0347","0.0245","","","0.0574","0.0591","","","","","","0.922","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018505","15.508","0.011","19.22","0.013","25.211","0.017","90","","90","","90","","7514","9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H40 N10 O15 Zn5 -","- C39 H40 N10 O15 Zn5 -","- C156 H160 N40 O60 Zn20 -","4","0.5","","Ling, Yun; Yang, Feilong; Deng, Mingli; Chen, Zhenxia; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming","Novel Iso-Reticular Zn(ii) Metal-Organic Frameworks constructed by Trinuclear-Triangular and Paddle-Wheel Units: Synthesis, Structure and Gas Adsorption.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4007","4011","10.1039/c2dt12059c","","","0.71073","MoKα","","0.1016","0.0551","","","0.1619","0.17","","","","","","0.892","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018506","15.585","0.004","19.237","0.005","25.305","0.007","90","","90","","90","","7587","3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H48 N10 O22 Zn5 -","- C39 H48 N10 O22 Zn5 -","- C156 H192 N40 O88 Zn20 -","4","0.5","","Ling, Yun; Yang, Feilong; Deng, Mingli; Chen, Zhenxia; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming","Novel Iso-Reticular Zn(ii) Metal-Organic Frameworks constructed by Trinuclear-Triangular and Paddle-Wheel Units: Synthesis, Structure and Gas Adsorption.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4007","4011","10.1039/c2dt12059c","","","0.71073","MoKα","","0.2056","0.1067","","","0.2725","0.3441","","","","","","1.038","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018703","12.9276","0.0014","6.9044","0.0006","15.8482","0.0013","90","","90","","90","","1414.6","0.2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H11 N4 O7 V -","- C9 H11 N4 O7 V -","- C36 H44 N16 O28 V4 -","4","0.5","","Yu, Xian-Yong; Yi, Ping-Gui; Ji, Dan-Hong; Zeng, Bi-Rong; Li, Xiao-Fang; Xu, Xin","Study of the coordination and solution structures for the interaction systems between diperoxidovanadate complexes and 4-(pyridin-2-yl)pyrimidine-like ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3684","3694","10.1039/c2dt12334g","","","0.71073","MoKα","","0.057","0.0408","","","0.0999","0.1037","","","","","","1.004","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7018888","10.7874","0.0003","6.2196","0.0005","11.178","0.0004","90","","90","","90","","749.97","0.07","293","","293","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- F Li1.292 Na0.708 Ni O4 P -","- F Li1.2912 Na0.7088 Ni O4 P -","- F8 Li10.3296 Na5.6704 Ni8 O32 P8 -","8","1","","Ben Yahia, Hamdi; Shikano, Masahiro; Koike, Shinji; Tatsumi, Kuniaki; Kobayashi, Hironori","Single crystal X-ray structure study of the Li2−xNaxNi[PO4]F system","Dalton Transactions","2012","41","19","5838","","10.1039/c2dt12375d","","","0.71069","MoKα","","0.0218","0.0218","","","0.0522","0.0522","","","","1.13","1.13","1.13","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019273","14.4194","0.0015","9.7386","0.001","14.4293","0.0015","90","","90","","90","","2026.2","0.4","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H32 F6 N7 Ni P -","- C14 H32 F6 N7 Ni P -","- C56 H128 F24 N28 Ni4 P4 -","4","0.5","","Evangelio, Emi; Rath, Nigam P.; Mirica, Liviu M.","Cycloaddition reactivity studies of first-row transition metal-azide complexes and alkynes: an inorganic click reaction for metalloenzyme inhibitor synthesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8010","8021","10.1039/c2dt30145h","","","0.71073","MoKα","","0.0361","0.0277","","","0.069","0.074","","","","","","1.013","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019357","12.2801","0.0002","38.8869","0.0009","9.13","0.0001","90","","90","","90","","4359.89","0.13","150","2","150","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","","","","- C18 H15 As I4 -","- C18 H15 As I4 -","- C144 H120 As8 I32 -","8","1","","Alhanash, Fatma B.; Barnes, Nicholas A.; Godfrey, Stephen M.; Hurst, Paul A.; Hutchinson, Adrian; Khan, Rana Z.; Pritchard, Robin G.","Structural isomerism in tris-tolyl halo-phosphonium and halo-arsonium tri-halides, [(CH(3)C(6)H(4))(3)EX][X(3)], (E = P, As; X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7708","7728","10.1039/c2dt30235g","","x-ray","0.71073","MoKα","","0.1205","0.079","","","0.1669","0.1965","","","","","","1.18","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019429","17.1623","0.0013","13.156","0.0008","12.8631","0.0008","90","","90","","90","","2904.3","0.3","213","2","213","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(1,3,5,7-tetrakis(1,2,4-triazol-4- yl)adamantane)aquacopper(ii) Perchlorate Trihydrate","[1,3,5,7-tetrakis(1,2,4-triazol-4-yl)adamantane]aquacopper(II) Perchlorate Trihydrate","","- C18 H28 Cl2 Cu N12 O12 -","- C18 H22 Cl2 Cu N12 O12 -","- C72 H88 Cl8 Cu4 N48 O48 -","4","0.5","","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","","0.1106","0.0802","","","0.1985","0.2135","","","","","","1.08","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7019582","9.19","0.0018","8.244","0.002","23.527","0.002","90","","90","","90","","1782.5","0.6","293","2","293","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C8 H20 Cl F6 N2 P Ru S3 -","- C8 H20 Cl F6 N2 P Ru S3 -","- C32 H80 Cl4 F24 N8 P4 Ru4 S12 -","4","0.5","","Bratsos, Ioannis; Mitri, Elisa; Ravalico, Francesco; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo","New half sandwich Ru(ii) coordination compounds for anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7358","7371","10.1039/c2dt30654a","","","0.71073","Mokα","","0.0526","0.0412","","","0.1134","0.1174","","","","","","1.076","","","","has coordinates,has disorder","179899","2020-10-21","18:00:00",""
"7019660","34.395","0.008","16.729","0.011","16.314","0.013","90","","90","","90","","9387","10","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C H54 As2 Dy2.5 K8.5 O96 W18 -","- C As2 Dy2.5 K8.5 O95 W18 -","- C4 As8 Dy10 K34 O380 W72 -","4","0.5","","Li, Fengyan; Guo, Weihua; Xu, Lin; Ma, Lifang; Wang, Yuchao","Two dysprosium-incorporated tungstoarsenates: synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9220","9226","10.1039/c2dt12277d","","","0.71073","MoKα","","0.0957","0.069","","","0.1648","0.1801","","","","","","1.086","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019666","23.512","0.003","21.394","0.003","13.4375","0.0015","90","","90","","90","","6759.3","1.5","91","2","91","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C54 H71 Cl4 Mn2 N13 O19 -","- C54 H71 Cl4 Mn2 N13 O19 -","- C216 H284 Cl16 Mn8 N52 O76 -","4","0.5","","Gobeze, Worku A.; Milway, Victoria A.; Moubaraki, Boujemaa; Murray, Keith S.; Brooker, Sally","Solvent control: dinuclear versus tetranuclear complexes of a bis-tetradentate pyrimidine-based ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9708","9721","10.1039/c2dt12449a","","","0.71073","MoKα","","0.1746","0.0966","","","0.2135","0.2464","","","","","","1.097","","","","has coordinates,has disorder","179900","2020-10-21","18:00:00",""
"7019983","11.956","0.005","18.701","0.007","12.306","0.005","90","","90","","90","","2751.5","1.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C26 H27 Co N5 O10 -","- C26 H27 Co N5 O10 -","- C104 H108 Co4 N20 O40 -","4","0.5","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Yang, Song; Liu, Guo-Cheng; Tian, Ai-Xiang; Zhang, Ju-Wen","Assembly and properties of transition-metal coordination polymers based on semi-rigid bis-pyridyl-bis-amide ligand: effect of polycarboxylates on the dimensionality.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11074","11084","10.1039/c2dt30907f","","","0.71073","MoKα","","0.0849","0.0473","","","0.1062","0.1235","","","","","","1.035","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7020038","9.0219","0.0005","6.2059","0.0004","14.328","0.0007","90","","90","","90","","802.21","0.08","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cs Cu2 F3 O6 P2 -","- Cs Cu2 F3 O6 P2 -","- Cs4 Cu8 F12 O24 P8 -","4","0.5","","Williams, Edward R.; Morris, Samuel A.; Weller, Mark T.","Copper(ii) fluorophosphates.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10845","10853","10.1039/c2dt31131c","","","0.71073","MoKα","","0.0935","0.0627","","","0.1091","0.1244","","","","","","1.166","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020152","21.0039","0.0014","18.1673","0.0012","18.7689","0.0012","90","","90","","90","","7161.9","0.8","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12.75 H39 B20 Cu2 O12.75 -","- C12.75 H39 B20 Cu2 O12.75 -","- C102 H312 B160 Cu16 O102 -","8","1","","Huang, Sheng-Li; Weng, Lin-Hong; Jin, Guo-Xin","Bottom-up synthesis of coordination polymers based on carborane backbones and Cu2(CO2)4 paddle-wheel: ligand metathesis with metallotecons.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11657","11662","10.1039/c2dt30708a","","","0.71073","MoKα","","0.0644","0.0458","","","0.1384","0.1571","","","","","","1.033","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020204","19.451","0.003","11.603","0.002","7.1757","0.001","90","","90","","90","","1619.5","0.4","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","tetrachloro(1,2-bis(methylsulfanylmethyl)benzene-S,S')tellurium(IV)","","- C10 H14 Cl4 S2 Te -","- C10 H14 Cl4 S2 Te -","- C40 H56 Cl16 S8 Te4 -","4","0.5","","Hector, Andrew L.; Jolleys, Andrew; Levason, William; Reid, Gillian","TeX4 (X = F, Cl, Br) as Lewis acids‒complexes with soft thio- and seleno-ether ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10988","10999","10.1039/c2dt30968h","","","0.71073","MoKα","","0.0215","0.0196","","","0.0419","0.0428","","","","","","1.131","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020295","7.2655","0.0008","10.0013","0.0013","5.3564","0.0006","90","","90","","90","","389.22","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Co2 F2 O3 Se -","- Co2 F2 O3 Se -","- Co8 F8 O12 Se4 -","4","0.5","","Hu, Shichao; Johnsson, Mats","Synthesis and crystal structure of two synthetic oxofluoride framework compounds - Co(2)TeO(3)F(2) and Co(2)SeO(3)F(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12786","12789","10.1039/c2dt31188g","","","0.71073","MoKα","","0.0647","0.0369","","","0.0615","0.0657","","","","","","0.944","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020296","7.381","0.0005","10.1936","0.0007","5.3013","0.0003","90","","90","","90","","398.86","0.04","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Co2 F2 O3 Te -","- Co2 F2 O3 Te -","- Co8 F8 O12 Te4 -","4","0.5","","Hu, Shichao; Johnsson, Mats","Synthesis and crystal structure of two synthetic oxofluoride framework compounds - Co(2)TeO(3)F(2) and Co(2)SeO(3)F(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12786","12789","10.1039/c2dt31188g","","","0.71073","MoKα","","0.0307","0.0254","","","0.0584","0.0592","","","","","","1.134","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020526","15.2718","0.0002","15.6336","0.0003","10.9156","0.0002","90","","90","","90","","2606.13","0.08","130","2","130","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H33 Ga Li N3 Sn -","- C24 H33 Ga Li N3 Sn -","- C96 H132 Ga4 Li4 N12 Sn4 -","4","0.5","","Zeckert, Kornelia","Syntheses and structures of lanthanoid(ii) complexes featuring Sn-M (M = Al, Ga, In) bonds.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14101","14106","10.1039/c2dt31768k","","","0.71073","MoKα","","0.0385","0.0329","","","0.0772","0.079","","","","","","1.033","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020602","13.6407","0.0008","9.5515","0.0005","17.0852","0.0008","90","","90","","90","","2226","0.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H26 Cl2 N5 O4 Pd -","- C19 H26 Cl2 N5 O4 Pd -","- C76 H104 Cl8 N20 O16 Pd4 -","4","0.5","","Tang, Fengzhi; Qu, Fengrui; Khusnutdinova, Julia R.; Rath, Nigam P.; Mirica, Liviu M.","Structural and reactivity comparison of analogous organometallic Pd(iii) and Pd(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14046","14050","10.1039/c2dt32127k","","","0.71073","MoKα","","0.0469","0.0399","","","0.0869","0.0892","","","","","","1.272","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020833","18.8278","0.0015","20.7853","0.0016","12.2101","0.001","90","","90","","90","","4778.3","0.7","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H42 Ni6 O56 Si W9 -","- Ni6 O56 Si W9 -","- Ni24 O224 Si4 W36 -","4","0.5","","Yang, Lei; Huo, Yu; Niu, Jingyang","Combination between [B-α-SiW9O34] unit and triangular inorganic Ni6 core under hydrothermal conditions: from monomer to rare dimer with malposed dodeca-nickel centers.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","364","367","10.1039/c2dt32122j","","","0.71073","MoKα","","0.057","0.0352","","","0.0754","0.0818","","","","","","1.026","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7021005","11.229","0.0008","15.8825","0.0012","11.5964","0.0008","90","","90","","90","","2068.2","0.3","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H26 Cl2 N4 O Pt S -","- C15 H26 Cl2 N4 O Pt S -","- C60 H104 Cl8 N16 O4 Pt4 S4 -","4","0.5","","Khlebnikov, Vsevolod; Heckenroth, Marion; Müller-Bunz, Helge; Albrecht, Martin","Platinum(ii) and platinum(iv) complexes stabilized by abnormal/mesoionic C4-bound dicarbenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4197","4207","10.1039/c2dt32423g","","","0.71073","MoKα","","0.0399","0.0326","","","0.0706","0.0725","","","","","","0.989","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021114","20.19","0.014","7.212","0.005","8.608","0.006","90","","90","","90","","1253.4","1.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H8 Cl4 O2 W -","- C8 H8 Cl4 O2 W -","- C32 H32 Cl16 O8 W4 -","4","0.5","","Dolci, Sara; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","A crystallographic and spectroscopic study on the reactions of WCl6 with carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5635","5648","10.1039/c2dt32771f","","","0.71073","MoKα","","0.0439","0.0345","","","0.0772","0.0812","","","","","","1.098","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021116","19.219","0.004","29.661","0.006","13.226","0.003","90","","90","","90","","7540","3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H19 Cl6 N2 O2 W -","- C10 H19 Cl6 N2 O2 W -","- C160 H304 Cl96 N32 O32 W16 -","16","2","","Dolci, Sara; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","A crystallographic and spectroscopic study on the reactions of WCl6 with carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5635","5648","10.1039/c2dt32771f","","","0.71073","MoKα","","0.0365","0.0279","","","0.0626","0.0668","","","","","","1.023","","","","has coordinates,has disorder","179916","2020-10-21","18:00:00",""
"7021178","14.4349","0.0013","26.361","0.003","10.5333","0.0009","90","","90","","90","","4008.1","0.7","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H36 Cl4 Cu2 N8 O16 -","- C28 H36 Cl4 Cu2 N8 O16 -","- C112 H144 Cl16 Cu8 N32 O64 -","4","0.5","","Kumar, Pankaj; Kalita, Apurba; Mondal, Biplab","Nitric oxide reactivity of Cu(ii) complexes of tetra- and pentadentate ligands: structural influence in deciding the reduction pathway.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5731","5739","10.1039/c3dt32580f","","x-ray","0.71073","MoKα","","0.0913","0.0543","","","0.092","0.1001","","","","","","1.073","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021179","13.6944","0.0004","26.3827","0.0008","11.2946","0.0003","90","","90","","90","","4080.7","0.2","296","2","296","2","","","","","","","Synthesised","6","P n m a","-P 2ac 2n","62","","","","- C30 H36 Cl3 Cu2 N8 O13 -","- C30 H36 Cl3 Cu2 N8 O13 -","- C120 H144 Cl12 Cu8 N32 O52 -","4","0.5","","Kumar, Pankaj; Kalita, Apurba; Mondal, Biplab","Nitric oxide reactivity of Cu(ii) complexes of tetra- and pentadentate ligands: structural influence in deciding the reduction pathway.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5731","5739","10.1039/c3dt32580f","","x-ray","0.71073","MoKα","","0.1461","0.1303","","","0.3822","0.394","","","","","","1.664","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021213","22.1117","0.0007","14.4986","0.0005","11.2188","0.0004","90","","90","","90","","3596.6","0.2","100","2","100","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","","","","- C38 H53 Cu N4 O2 -","- C38 H53 Cu N4 O2 -","- C152 H212 Cu4 N16 O8 -","4","0.5","","César, Vincent; Barthes, Cécile; Farré, Yoann C; Cuisiat, Stéphane V; Vacher, Bernard Y.; Brousses, Rémy; Lugan, Noël; Lavigne, Guy","Anionic and zwitterionic copper(i) complexes incorporating an anionic N-heterocyclic carbene decorated with a malonate backbone: synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7373","7385","10.1039/c3dt32919d","","x-ray","0.71073","MoKα","","0.0304","0.0295","","","0.0791","0.08","","","","","","1.171","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021384","12.2596","0.0003","18.5862","0.0005","12.4045","0.0003","90","","90","","90","","2826.48","0.12","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C19 H39 Cl3 N6 O3 P2 Ru S -","- C19 H37 Cl3 N6 O3 P2 Ru S -","- C76 H148 Cl12 N24 O12 P8 Ru4 S4 -","4","0.5","","Serrano-Ruiz, Manuel; Lorenzo-Luis, Pablo; Romerosa, Antonio; Mena-Cruz, Adrian","Catalytic isomerization of allylic alcohols in water by [RuClCp(PTA)2], [RuClCp(HPTA)2]Cl2·2H2O, [RuCp(DMSO-κS)(PTA)2]Cl, [RuCp(DMSO-κS)(PTA)2](OSO2CF3) and [RuCp(DMSO-κS)(HPTA)2]Cl3·2H2O.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7622","7630","10.1039/c3dt32998d","","","0.71073","MoKα","","0.0384","0.0338","","","0.0905","0.0931","","","","","","1.055","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021555","11.0475","0.0002","17.0485","0.0004","13.8434","0.0003","90","","90","","90","","2607.31","0.1","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C21 H42 Cl N O2 P2 Ru S -","- C21 H42 Cl N O2 P2 Ru S -","- C84 H168 Cl4 N4 O8 P8 Ru4 S4 -","4","0.5","","Sgro, Michael J.; Stephan, Douglas W.","Synthesis and reactivity of ruthenium tridentate bis-phosphinite ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10460","10472","10.1039/c3dt51065d","","","0.71073","MoKα","","0.0327","0.0241","","","0.0542","0.0577","","","","","","1.043","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021630","9.285","0.002","15.856","0.006","13.478","0.002","90","","90","","90","","1984.3","0.9","110","","110","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H16 Ce F9 O10 -","- C12 H16 Ce F9 O10 -","- C48 H64 Ce4 F36 O40 -","4","0.5","","Mishra, Shashank; Jeanneau, Erwann; Bulin, Anne-Laure; Ledoux, Gilles; Jouguet, Bernadette; Amans, David; Belsky, Andrei; Daniele, Stéphane; Dujardin, Christophe","A molecular precursor approach to monodisperse scintillating CeF3 nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2013","42","35","12633","12643","10.1039/c3dt50605c","","","0.7107","MoKα","","0.0922","0.0637","","0.1736","0.1418","0.1736","","","","","","1.0039","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7022113","19.145","","21.378","","14.17","","90","","90","","90","","5799.52","","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C61 H80 Cd N6 O -","- C61 H80 Cd N6 O -","- C244 H320 Cd4 N24 O4 -","4","0.5","","Vignesh Babu, Heeralal; Muralidharan, Krishnamurthi","Zn(II), Cd(II) and Cu(II) complexes of 2,5-bis{N-(2,6-diisopropylphenyl)iminomethyl}pyrrole: synthesis, structures and their high catalytic activity for efficient cyclic carbonate synthesis.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1238","1248","10.1039/c2dt31755a","","","0.71073","MoKα","","0.0472","0.044","","","0.0984","0.1003","","","","","","1.161","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022114","18.87","","21.946","","13.737","","90","","90","","90","","5688.78","","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C61 H80 Cu N6 O -","- C61 H80 Cu N6 O -","- C244 H320 Cu4 N24 O4 -","4","0.5","","Vignesh Babu, Heeralal; Muralidharan, Krishnamurthi","Zn(II), Cd(II) and Cu(II) complexes of 2,5-bis{N-(2,6-diisopropylphenyl)iminomethyl}pyrrole: synthesis, structures and their high catalytic activity for efficient cyclic carbonate synthesis.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1238","1248","10.1039/c2dt31755a","","","0.71073","MoKα","","0.0717","0.0645","","","0.1377","0.1418","","","","","","1.222","","","","has coordinates,has disorder","179926","2020-10-21","18:00:00",""
"7022183","16.917","0.003","23.635","0.005","19.856","0.004","90","","90","","90","","7939","3","200","2","200","2","","","","","","","Crystals were obtained by recrystallization from MeCN/MeOH.","7","P n m a","-P 2ac 2n","62","","","","- C85 H104 B2 N6 Ni2 O S2 -","- C85 H105 B2 N6 Ni2 O S2 -","- C340 H420 B8 N24 Ni8 O4 S8 -","4","0.5","","Lehmann, Ulrike; Lach, Jochen; Loose, Claudia; Hahn, Torsten; Kersting, Berthold; Kortus, Jens","Binuclear nickel complexes with an edge sharing bis(square-pyramidal) N3Ni(μ-S2)NiN3 core: synthesis, characterization, crystal structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","987","996","10.1039/c2dt31973j","","","0.71073","MoKα","","0.1304","0.0592","","","0.1188","0.1393","","","","","","0.906","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022299","16.6925","0.0018","33.626","0.004","14.1498","0.0016","90","","90","","90","","7942.3","1.6","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C62 H74 Cl3 Cu3 N12 O19 -","- C62 H74 Cl3 Cu3 N12 O19 -","- C248 H296 Cl12 Cu12 N48 O76 -","4","0.5","","Xu, Feng; Tao, Tao; Zhang, Kun; Wang, Xiao-Xu; Huang, Wei; You, Xiao-Zeng","C-C bond cleavage in acetonitrile by copper(II)-bipyridine complexes and in situ formation of cyano-bridged mixed-valent copper complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3631","3645","10.1039/c2dt32281a","","","0.71073","MoKα","","0.119","0.0651","","","0.1731","0.1912","","","","","","0.879","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022473","15.1363","0.0008","14.0416","0.0007","20.7216","0.001","90","","90","","90","","4404.1","0.4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C46 H54 Cl N6 O3 Ru2 -","- C46 H54.28 Cl N6 O3 Ru2 -","- C184 H217.12 Cl4 N24 O12 Ru8 -","4","0.5","","Ngubane, Siyabonga; Kadish, Karl M.; Bear, John L.; Van Caemelbecke, Eric; Thuriere, Antoine; Ramirez, Kevin P.","Synthesis, structure, and electrochemical characterization of a mixed-ligand diruthenium(III,II) complex with an unusual arrangement of the bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3571","3580","10.1039/c2dt32715e","","","0.71073","MoKα","","0.0494","0.0307","","","0.0806","0.0948","","","","","","1.08","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022530","12.186","0.005","11.131","0.004","6.739","0.003","90","","90","","90","","914.1","0.6","173","1","173","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H18 Al N -","- C6 H18 Al N -","- C24 H72 Al4 N4 -","4","0.5","","Humphries, Terry D.; Munroe, Keelie T.; Decken, Andreas; McGrady, G. Sean","Lewis base complexes of AlH3: structural determination of monomeric and polymeric adducts by X-ray crystallography and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6953","6964","10.1039/c3dt00046j","","x-ray","0.71073","MoKα","","0.0436","0.0322","","","0.083","0.0953","","","","","","1.129","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022581","21.02","0.004","18.707","0.003","19.091","0.004","90","","90","","90","","7507","2","180","2","180","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C43 H51 Cr N2 -","- C43 H51 Cr N2 -","- C344 H408 Cr8 N16 -","8","1","","Monillas, Wesley H.; Young, John F.; Yap, Glenn P. A.; Theopold, Klaus H.","A well-defined model system for the chromium-catalyzed selective oligomerization of ethylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9198","9210","10.1039/c3dt00109a","","","0.71073","MoKα","","0.0916","0.0556","","","0.1524","0.1765","","","","","","1.036","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022586","16.702","0.003","20.31","0.004","9.768","0.002","90","","90","","90","","3313.5","1.1","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C37 H55 Cr N2 O -","- C37 H55 Cr N2 O -","- C148 H220 Cr4 N8 O4 -","4","0.5","","Monillas, Wesley H.; Young, John F.; Yap, Glenn P. A.; Theopold, Klaus H.","A well-defined model system for the chromium-catalyzed selective oligomerization of ethylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9198","9210","10.1039/c3dt00109a","","","0.71073","MoKα","","0.0972","0.0536","","","0.1333","0.1536","","","","","","1.049","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022633","13.8097","0.0011","20.6672","0.0017","7.3626","0.0006","90","","90","","90","","2101.3","0.3","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H18 Co3 N10 O10 S -","- C12 H16 Co3 N10 O10 S -","- C48 H64 Co12 N40 O40 S4 -","4","0.5","","Yao, Ru-Xin; Qin, Ying-Lian; Ji, Fang; Zhao, Yan-Fei; Zhang, Xian-Ming","Triangle, square and delta-chain based cobalt tetrazolate magnets.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6611","6618","10.1039/c3dt32539c","","","0.71073","MoKα","","0.0402","0.0344","","","0.0929","0.0962","","","","","","1.029","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022683","13.584","0.0003","6.9169","0.0007","12.8092","0.0007","90","","90","","90","","1203.54","0.14","150","2","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H14 B Cl2 N -","- C11 H14 B Cl2 N -","- C44 H56 B4 Cl8 N4 -","4","0.5","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Reactivity of C,N-chelated organoboron compounds with lithium anilides‒formation of unexpected 1,2,3-trisubstituted 1H-2,1-benzazaboroles.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6417","6428","10.1039/c3dt32850c","","","0.71073","MoKα","","0.0589","0.044","","","0.1038","0.1164","","","","","","1.138","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022717","18.854","0.002","19.529","0.002","12.14","0.004","90","","90","","90","","4469.9","1.6","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C38 H52 Cl2 I2 N8 O2 Pd2 -","- C38 H50 Cl2 I2 N8 O2 Pd2 -","- C152 H200 Cl8 I8 N32 O8 Pd8 -","4","0.5","","Gardiner, Michael G.; Ho, Curtis C.; Mackay, Felicity M.; McGuinness, David S.; Tucker, Matthew","Selective and adaptable access to N,N'-asymmetrically substituted imidazol-2-ylidene bis-NHC ligands: Pd(II) complexes featuring wide variation in N-alkyl and aryl steric bulk.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7447","7457","10.1039/c3dt32895c","","","0.7108","Synchrotron","","0.079","0.0667","","","0.1868","0.1989","","","","","","1.052","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022961","7.413","0.004","10.139","0.005","5.717","0.003","90","","90","","90","","429.7","0.4","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- F H Mn2 O4 S -","- F H Mn2 O4 S -","- F4 H4 Mn8 O16 S4 -","4","0.5","","Ben Yahia, Hamdi; Shikano, Masahiro; Kobayashi, Hironori","Single crystal growth of the novel Mn2(OH)2SO3, Mn2F(OH)SO3, and Mn5(OH)4(H2O)2[SO3]2[SO4] compounds using a hydrothermal method.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7158","7166","10.1039/c3dt50415h","","","0.71073","MoKα","","0.0965","0.0398","","","0.0801","0.1108","","","","1.1","1.1","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022963","7.358","0.0014","10.343","0.002","5.7611","0.0011","90","","90","","90","","438.44","0.15","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H2 Mn2 O5 S -","- H2 Mn2 O5 S -","- H8 Mn8 O20 S4 -","4","0.5","","Ben Yahia, Hamdi; Shikano, Masahiro; Kobayashi, Hironori","Single crystal growth of the novel Mn2(OH)2SO3, Mn2F(OH)SO3, and Mn5(OH)4(H2O)2[SO3]2[SO4] compounds using a hydrothermal method.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7158","7166","10.1039/c3dt50415h","","","0.71073","MoKα","","0.0554","0.0301","","","0.0633","0.0725","","","","0.93","0.93","0.86","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023113","18.628","0.005","9.918","0.003","10.025","0.003","90","","90","","90","","1852.1","0.9","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H16 As2 Cl4 Sn2 -","- C10 H16 As2 Cl4 Sn2 -","- C40 H64 As8 Cl16 Sn8 -","4","0.5","","Gurnani, Chitra; Hector, Andrew L.; Jager, Edward; Levason, William; Pugh, David; Reid, Gillian","Tin(II) fluoride vs. tin(II) chloride‒a comparison of their coordination chemistry with neutral ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8364","8374","10.1039/c3dt50743b","","","0.71073","MoKα","","0.0326","0.0287","","","0.0696","0.0719","","","","","","1.096","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023442","10.2678","0.0006","13.4525","0.0008","14.9665","0.0009","90","","90","","90","","2067.3","0.2","120","2","120","2","","","","","","","","7","P n m a","-P 2ac 2n","62","AGhosh-3","Co(III) Schiff-base dianion, bromide; CH3CN solvate","","- C16 H21 Br Cl2 Co N5 O2 -","- C16 H21 Br Cl2 Co N5 O2 -","- C64 H84 Br4 Cl8 Co4 N20 O8 -","4","0.5","","Ramidi, Punnamchandar; Gerasimchuk, Nikolay; Gartia, Yashraj; Felton, Charlette M.; Ghosh, Anindya","Synthesis and characterization of Co(III) amidoamine complexes: influence of substituents of the ligand on catalytic cyclic carbonate synthesis from epoxide and carbon dioxide.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13151","13160","10.1039/c3dt51352a","","","0.71073","MoKα","","0.0466","0.0383","","","0.0941","0.0987","","","","","","1.091","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023684","26.0925","0.0012","14.8744","0.001","13.09","0.0007","90","","90","","90","","5080.4","0.5","100","2","100","2","","","","","","","dichloromethane, n-hexane","7","P n m a","-P 2ac 2n","62","","","","- C61 H48 F6 N3 O P3 Ru -","- C61 H48 F6 N3 O P3 Ru -","- C244 H192 F24 N12 O4 P12 Ru4 -","4","0.5","","Chaudhuri, Satyabrata; Patra, Sarat Chandra; Saha, Pinaki; Saha Roy, Amit; Maity, Suvendu; Bera, Sachinath; Saha Sardar, Pinki; Ghosh, Sanjib; Weyhermüller, Thomas; Ghosh, Prasanta","Zinc(ii), iron(ii/iii) and ruthenium(ii) complexes of o-phenylenediamine derivatives: oxidative dehydrogenation and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15028","15042","10.1039/c3dt51771c","","","0.71073","MoKα","","0.0413","0.0285","","","0.0649","0.0701","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023696","11.1285","0.0008","8.9787","0.0007","11.7001","0.0009","90","","90","","90","","1169.07","0.15","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H12 Cl4 Mo O2 -","- C5 H12 Cl4 Mo O2 -","- C20 H48 Cl16 Mo4 O8 -","4","0.5","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The reactivity of molybdenum pentachloride with ethers: routes to the synthesis of Mo(IV)Cl4 adducts, Mo(v) chlorido-alkoxides and Mo(v) oxydo-chlorides.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15226","15234","10.1039/c3dt51797g","","","0.71073","MoKα","","0.1023","0.0954","","","0.2021","0.2055","","","","","","1.186","","","","has coordinates,has disorder","179941","2020-10-21","18:00:00",""
"7023705","17.1968","0.0008","8.9793","0.0005","8.5318","0.0005","90","","90","","90","","1317.44","0.12","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H12 F5 Fe2 N7 -","- C6 H12 F5 Fe2 N7 -","- C24 H48 F20 Fe8 N28 -","4","0.5","","Smida, Mouna; Lhoste, Jérôme; Pimenta, Vanessa; Hémon-Ribaud, Annie; Jouffret, Laurent; Leblanc, Marc; Dammak, Mohamed; Grenèche, Jean-Marc; Maisonneuve, Vincent","New series of hybrid fluoroferrates synthesized with triazoles: various dimensionalities and Mössbauer studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15748","15755","10.1039/c3dt51812d","","","0.71073","MoKα","","0.0876","0.0486","","","0.1098","0.1254","","","","","","1.058","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023790","14.348","0.0003","18.1039","0.0004","9.2139","0.0002","90","","90","","90","","2393.35","0.09","173","","173","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C27 H31 Al N2 -","- C27 H31 Al N2 -","- C108 H124 Al4 N8 -","4","0.5","","Nako, Adi E.; Gates, Sarah J.; White, Andrew J. P.; Crimmin, Mark R.","Preparation and properties of a series of structurally diverse aluminium hydrides supported by β-diketiminate and bis(amide) ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15199","15206","10.1039/c3dt52148f","","","0.71073","MoKα","","0.0736","0.0525","","","0.148","0.1617","","","","","","1.044","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7024058","14.181","0.002","14.934","0.002","9.1039","0.0009","90","","90","","90","","1928","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H13 Co3 O6 S3 -","- C13 H13 Co3 O6 S3 -","- C52 H52 Co12 O24 S12 -","4","0.5","","Bruce, Michael I.; Zaitseva, Natasha N.; Skelton, Brian W.; White, Allan H.; Fox, Mark A.; Low, Paul J.","Syntheses and molecular structures of some tricobalt carbonyl clusters containing 2,4,6-trimethyl-1,3,5-trithiane.","Dalton transactions (Cambridge, England : 2003)","2010","39","5","1222","1234","10.1039/b909708b","","","0.71073","MoKα","","0.0332","0.0267","","","0.0639","0.0673","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7024641","19.4768","0.0005","7.2563","0.0002","8.7726","0.0002","90","","90","","90","","1239.83","0.05","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H11 Fe N O5 -","- C11 H11 Fe N O5 -","- C44 H44 Fe4 N4 O20 -","4","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","","0.0578","0.0337","","0.0911","0.0833","0.0911","","","","","","1","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7024669","15.124","0.004","18.054","0.005","22.939","0.006","90","","90","","90","","6263","3","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C47.75 H55.75 Al2 Cl8.25 N3 -","- C47 H55 Al2 Cl6 N3 -","- C188 H220 Al8 Cl24 N12 -","4","0.5","","Jurca, Titel; Dawson, Karl; Mallov, Ian; Burchell, Tara; Yap, Glenn P. A.; Richeson, Darrin S.","Disproportionation and radical formation in the coordination of ""GaI"" with bis(imino)pyridines.","Dalton transactions (Cambridge, England : 2003)","2010","39","5","1266","1272","10.1039/b920047a","","","0.71073","MoKα","","0.0923","0.0657","","","0.1869","0.2066","","","","","","1.026","","","","has coordinates,has disorder","179951","2020-10-21","18:00:00",""
"7024701","14.822","0.01","19.077","0.013","18.78","0.013","90","","90","","90","","5310","6","291","2","291","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H20 Cu2 N O11 -","- C24 H20 Cu2 N O11 -","- C192 H160 Cu16 N8 O88 -","8","1","","Ma, Lu-Fang; Liu, Bin; Wang, Li-Ya; Li, Cheng-Peng; Du, Miao","Copper(II) 5-methoxyisophthalate coordination polymers incorporating dipyridyl co-ligands: syntheses, crystal structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2301","2308","10.1039/b920308g","","","0.71073","MoKα","","0.1505","0.0812","","","0.1809","0.2243","","","","","","1.062","","","","has coordinates","179952","2020-10-21","18:00:00",""
"7024771","25.7804","0.0007","16.9252","0.0004","15.0345","0.0004","90","","90","","90","","6560.1","0.3","293","2","293","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C52 H88 Au F12 Mo3 O P3 S4 -","- C52 H88 Au F12 Mo3 O P3 S4 -","- C208 H352 Au4 F48 Mo12 O4 P12 S16 -","4","0.5","","Chen, Pingping; Chen, Yanhui; Zhou, Yuhan; Peng, Ying; Qu, Jingping; Hidai, Masanobu","Heterometallic cubane-type clusters [M'Mo3S4] (M' = Au, Ag and Cu): synthesis, structures and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","24","5658","5663","10.1039/b921176d","","","0.71073","MoKα","","0.0844","0.0542","","","0.1543","0.1712","","","","","","1.042","","","","has coordinates","179952","2020-10-21","18:00:00",""
"7024837","7.9915","0.0005","6.5796","0.0004","12.0511","0.0008","90","","90","","90","","633.66","0.07","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H4 Cu N3 O3 -","- C4 H4 Cu N3 O3 -","- C16 H16 Cu4 N12 O12 -","4","0.5","","Mohapatra, Sudip; Maji, Tapas Kumar","Facile synthesis of anion dependent versatile Cu(I) and mixed-valent porous Cu(I)/Cu(II) frameworks.","Dalton transactions (Cambridge, England : 2003)","2010","39","14","3412","3419","10.1039/b922039a","","","0.71073","MoKα","","0.0985","0.0477","","","0.0969","0.1194","","","","","","0.895","","","","has coordinates","179953","2020-10-21","18:00:00",""
"7024903","18.205","0.002","6.2558","0.0008","11.1447","0.0013","90","","90","","90","","1269.2","0.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H8 Cu2 I3 N -","- C6 H8 Cu2 I3 N -","- C24 H32 Cu8 I12 N4 -","4","0.5","","Hou, Juan-Juan; Li, Shi-Li; Li, Cui-Rui; Zhang, Xian-Ming","In situ alkylation of N-heterocycles in organic templated cuprous halides.","Dalton transactions (Cambridge, England : 2003)","2010","39","10","2701","2707","10.1039/b922583h","","","0.71073","MoKα","","0.0764","0.0655","","","0.1477","0.154","","","","","","1.194","","","","has coordinates","179954","2020-10-21","18:00:00",""
"7024904","17.648","0.004","5.9526","0.0012","10.821","0.002","90","","90","","90","","1136.8","0.4","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H8 Br3 Cu2 N -","- C6 H8 Br3 Cu2 N -","- C24 H32 Br12 Cu8 N4 -","4","0.5","","Hou, Juan-Juan; Li, Shi-Li; Li, Cui-Rui; Zhang, Xian-Ming","In situ alkylation of N-heterocycles in organic templated cuprous halides.","Dalton transactions (Cambridge, England : 2003)","2010","39","10","2701","2707","10.1039/b922583h","","","0.71073","MoKα","","0.0412","0.0307","","","0.0765","0.0811","","","","","","1.079","","","","has coordinates","179954","2020-10-21","18:00:00",""
"7025583","21.889","0.002","20.6138","0.0018","10.7149","0.0009","90","","90","","90","","4834.7","0.7","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C49 H77 N2 Nd O5 -","- C49 H49 N2 Nd O5 -","- C196 H196 N8 Nd4 O20 -","4","0.5","","Nie, Kun; Gu, Xiangyong; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and characterization of amine bridged bis(phenolate) lanthanide aryloxides and their application in the polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6832","6840","10.1039/c001888k","","","0.71075","MoKα","","0.0537","0.0489","","","0.124","0.1281","","","","","","1.119","","","","has coordinates,has disorder","179961","2020-10-21","18:00:00",""
"7025584","21.8277","0.0013","20.6671","0.0013","10.6996","0.0006","90","","90","","90","","4826.8","0.5","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C49 H77 N2 O5 Sm -","- C49 H49 N2 O5 Sm -","- C196 H196 N8 O20 Sm4 -","4","0.5","","Nie, Kun; Gu, Xiangyong; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and characterization of amine bridged bis(phenolate) lanthanide aryloxides and their application in the polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6832","6840","10.1039/c001888k","","","0.71075","MoKα","","0.0527","0.0449","","","0.1157","0.1207","","","","","","1.106","","","","has coordinates,has disorder","179961","2020-10-21","18:00:00",""
"7025586","21.9718","0.0014","20.6271","0.0013","10.753","0.0008","90","","90","","90","","4873.4","0.6","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C49 H77 N2 Nd O6 -","- C49 H42 N2 Nd O6 -","- C196 H168 N8 Nd4 O24 -","4","0.5","","Nie, Kun; Gu, Xiangyong; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and characterization of amine bridged bis(phenolate) lanthanide aryloxides and their application in the polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6832","6840","10.1039/c001888k","","","0.71075","MoKα","","0.0647","0.057","","","0.146","0.1512","","","","","","1.166","","","","has coordinates,has disorder","179961","2020-10-21","18:00:00",""
"7025587","21.917","0.0012","20.6367","0.001","10.7274","0.0005","90","","90","","90","","4851.9","0.4","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C49 H77 N2 O6 Sm -","- C49 H42 N2 O6 Sm -","- C196 H168 N8 O24 Sm4 -","4","0.5","","Nie, Kun; Gu, Xiangyong; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and characterization of amine bridged bis(phenolate) lanthanide aryloxides and their application in the polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6832","6840","10.1039/c001888k","","","0.71075","MoKα","","0.0579","0.0526","","","0.126","0.1295","","","","","","1.132","","","","has coordinates,has disorder","179961","2020-10-21","18:00:00",""
"7025588","18.7527","0.0017","13.4677","0.0013","9.4862","0.0009","90","","90","","90","","2395.8","0.4","140","1","140","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H35 F2 N U -","- C25 H35 F2 N U -","- C100 H140 F8 N4 U4 -","4","0.5","","Thomson, Robert K.; Graves, Christopher R.; Scott, Brian L.; Kiplinger, Jaqueline L.","Organometallic uranium(IV) fluoride complexes: preparation using protonolysis chemistry and reactivity with trimethylsilyl reagents.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6826","6831","10.1039/c001911a","","","0.71073","MoKα","","0.0708","0.0537","","","0.1052","0.1076","","","","","","1.799","","","","has coordinates","179961","2020-10-21","18:00:00",""
"7025638","17.189","0.008","14.566","0.007","11.246","0.005","90","","90","","90","","2816","2","120","1","120","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C27 H46 I0 N4 O2 U -","- C26.032 H42 I0.242 N3.758 O2 U -","- C104.128 H168 I0.968 N15.032 O8 U4 -","4","0.5","","Swartz, 2nd, Douglas L; Spencer, Liam P.; Scott, Brian L.; Odom, Aaron L.; Boncella, James M.","Exploring the coordination modes of pyrrolyl ligands in bis(imido) uranium(VI) complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6841","6846","10.1039/c002440f","","","0.71073","MoKα","","0.0442","0.0315","","","0.0833","0.0884","","","","","","1.202","","","","has coordinates,has disorder","179962","2020-10-21","18:00:00",""
"7025705","16.1348","0.0006","16.0405","0.0007","8.8982","0.0003","90","","90","","90","","2302.95","0.15","88.1","","88.1","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H28 Cl2 N2 S2 -","- C23 H28 Cl2 N2 S2 -","- C92 H112 Cl8 N8 S8 -","4","0.5","","Kuwabara, Junpei; Munezawa, Goro; Okamoto, Ken; Kanbara, Takaki","Palladium(II) and platinum(II) complexes bearing a kappa(3)SCS pincer ligand with an azulene unit.","Dalton transactions (Cambridge, England : 2003)","2010","39","27","6255","6261","10.1039/c002908d","","","0.71075","MoKα","","","0.0501","","","","0.1578","","","","","","1.183","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7025748","17.3192","0.0017","11.7891","0.0011","7.2997","0.0007","90","","90","","90","","1490.4","0.2","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H19 B10 Co -","- C11 H19 B10 Co -","- C44 H76 B40 Co4 -","4","0.5","","Scott, Greig; McAnaw, Amelia; McKay, David; Boyd, Alan S. F.; Ellis, David; Rosair, Georgina M.; Macgregor, Stuart A.; Welch, Alan J.; Laschi, Franco; Rossi, Fulvio; Zanello, Piero","Supraicosahedral indenyl cobaltacarboranes.","Dalton transactions (Cambridge, England : 2003)","2010","39","22","5286","5300","10.1039/c003067h","","","0.71073","MoKα","","0.0774","0.071","","","0.1645","0.1663","","","","","","1.367","","","","has coordinates","179963","2020-10-21","18:00:00",""
"7025794","7.852","0.004","10.081","0.005","26.274","0.013","90","","90","","90","","2079.7","1.8","223","2","223","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H15 F6 N3 O3 P Re -","- C18 H15 F6 N3 O3 P Re -","- C72 H60 F24 N12 O12 P4 Re4 -","4","0.5","","Patra, Malay; Gasser, Gilles; Bobukhov, Dmytro; Merz, Klaus; Shtemenko, Alexander V.; Metzler-Nolte, Nils","Sequential insertion of three different organometallics into a versatile building block containing a PNA backbone.","Dalton transactions (Cambridge, England : 2003)","2010","39","24","5617","5619","10.1039/c003598j","","","0.71073","MoKα","","0.0542","0.0477","","","0.1196","0.1275","","","","","","1.096","","","","has coordinates","179963","2020-10-21","18:00:00",""
"7025840","13.7019","0.0005","18.0171","0.0007","16.543","0.0007","90","","90","","90","","4083.9","0.3","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H54 F6 N3 Ni P -","- C39 H54 F6 N3 Ni P -","- C156 H216 F24 N12 Ni4 P4 -","4","0.5","","Ritleng, Vincent; Oertel, Anna Magdalena; Chetcuti, Michael J.","Half-sandwich NHC-nickel(II) complexes as pre-catalysts for the fast Suzuki coupling of aryl halides: a comparative study.","Dalton transactions (Cambridge, England : 2003)","2010","39","35","8153","8160","10.1039/c0dt00021c","","","0.71073","MoKα","","0.1337","0.0698","","","0.1154","0.1316","","","","","","1.09","","","","has coordinates","179964","2020-10-21","18:00:00",""
"7025885","9.458","0.0016","13.545","0.003","14.948","0.003","90","","90","","90","","1915","0.7","223","2","223","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H26 As N6 Nd O Se4 -","- C6 H16 As N6 Nd O Se4 -","- C24 H64 As4 N24 Nd4 O4 Se16 -","4","0.5","","Wang, Jiao; Pan, Yingli; Chen, Jiangfang; Gu, Jiansheng; Zhang, Yong; Jia, Dingxian","Investigating metal size effects in the Ln/As/Se/amine (Ln = lanthanide excluding Pm, amine = en, dien, en+trien) systems: solvothermal syntheses and characterizations of lanthanide selenidoarsenates.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7066","7072","10.1039/c0dt00040j","","","0.71073","MoKα","","0.0547","0.0385","","","0.0902","0.1204","","","","","","1.096","","","","has coordinates","179964","2020-10-21","18:00:00",""
"7026229","12.468","0.003","18.494","0.004","14.718","0.003","90","","90","","90","","3393.7","1.3","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H40 Cl Ir N2 O2 -","- C39 H40 Cl Ir N2 O2 -","- C156 H160 Cl4 Ir4 N8 O8 -","4","0.5","","Vasudevan, Kalyan V.; Butorac, Rachel R.; Abernethy, Colin D.; Cowley, Alan H.","Synthesis and coordination compounds of a bis(imino)acenaphthene (BIAN)-supported N-heterocyclic carbene.","Dalton transactions (Cambridge, England : 2003)","2010","39","31","7401","7408","10.1039/c0dt00278j","","","0.71073","MoKα","","0.0902","0.0436","","","0.0751","0.0873","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7026262","13.328","0.0014","4.9128","0.0005","26.446","0.003","90","","90","","90","","1731.6","0.3","193","2","193","2","","","","","","","","2","P n m a","-P 2ac 2n","62","strontium mercury (1/8)","strontium mercury (1/8)","","- Hg8 Sr -","- Hg8 Sr -","- Hg64 Sr8 -","8","1","","Tkachuk, Andriy V.; Mar, Arthur","In search of the elusive amalgam SrHg8: a mercury-rich intermetallic compound with augmented pentagonal prisms.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7132","7135","10.1039/c0dt00304b","","","0.71073","MoKα","","0.103","0.0623","","","0.1395","0.1591","","","","","","1.007","","","","has coordinates","179968","2020-10-21","18:00:00",""
"7026369","16.9206","0.0007","10.5592","0.0005","21.9997","0.001","90","","90","","90","","3930.6","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- B4 Co4 H37 N7 O43 P10 -","- B4 Co4 H37 N7 O43 P10 -","- B16 Co16 H148 N28 O172 P40 -","4","0.5","","Yang, Miao; Xu, Feifei; Liu, Qingshan; Yan, Peifang; Liu, Xiumei; Wang, Chang; Welz-Biermann, Urs","Chelated orthoborate ionic liquid as a reactant for the synthesis of a new cobalt borophosphate containing extra-large 16-ring channels.","Dalton transactions (Cambridge, England : 2003)","2010","39","44","10571","10573","10.1039/c0dt00368a","","","0.71073","MoKα","","0.0344","0.0293","","","0.0783","0.0808","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026424","17.0274","0.0007","25.876","0.002","13.1365","0.0005","90","","90","","90","","5788","0.6","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C53 H56 Cl6 N14 Pd2 -","- C53 H55 Cl6 N14 Pd2 -","- C212 H220 Cl24 N56 Pd8 -","4","0.5","","Zhang, Qian; He, Lisi; Liu, Jun-Min; Wang, Wei; Zhang, Jianyong; Su, Cheng-Yong","Pd2L2 metallacycles as molecular containers for small molecules.","Dalton transactions (Cambridge, England : 2003)","2010","39","46","11171","11179","10.1039/c0dt00406e","","","0.71073","MoKα","","0.1111","0.0467","","","0.0928","0.1043","","","","","","1.026","","","","has coordinates,has disorder","179970","2020-10-21","18:00:00",""
"7026479","13.6133","0.0016","14.6412","0.0018","11.4378","0.0014","90","","90","","90","","2279.7","0.5","125","2","125","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H24 B Ga I2 N4 S2 -","- C14 H24 B Ga I2 N4 S2 -","- C56 H96 B4 Ga4 I8 N16 S8 -","4","0.5","","Yurkerwich, Kevin; Coleman, Fergal; Parkin, Gerard","Bis(2-mercapto-1-R-imidazolyl)hydroborato complexes of aluminium, gallium, indium and thallium: compounds possessing gallium-gallium bonds and a trivalent thallium alkyl.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","6939","6942","10.1039/c0dt00461h","","","0.71073","MoKα","","0.0523","0.0287","","","0.0518","0.0582","","","","","","1","","","","has coordinates","179970","2020-10-21","18:00:00",""
"7026483","8.3215","0.0005","13.0872","0.0009","13.3622","0.0009","90","","90","","90","","1455.21","0.17","125","2","125","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H12 Al B Cl2 N4 S2 -","- C8 H12 Al B Cl2 N4 S2 -","- C32 H48 Al4 B4 Cl8 N16 S8 -","4","0.5","","Yurkerwich, Kevin; Coleman, Fergal; Parkin, Gerard","Bis(2-mercapto-1-R-imidazolyl)hydroborato complexes of aluminium, gallium, indium and thallium: compounds possessing gallium-gallium bonds and a trivalent thallium alkyl.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","6939","6942","10.1039/c0dt00461h","","","0.71073","MoKα","","0.0227","0.0216","","","0.0648","0.0661","","","","","","1.076","","","","has coordinates","179970","2020-10-21","18:00:00",""
"7026485","8.8213","0.0003","13.2681","0.0005","14.3161","0.0005","90","","90","","90","","1675.58","0.1","243","2","243","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H12 B Ga I2 N4 S2 -","- C8 H12 B Ga I2 N4 S2 -","- C32 H48 B4 Ga4 I8 N16 S8 -","4","0.5","","Yurkerwich, Kevin; Coleman, Fergal; Parkin, Gerard","Bis(2-mercapto-1-R-imidazolyl)hydroborato complexes of aluminium, gallium, indium and thallium: compounds possessing gallium-gallium bonds and a trivalent thallium alkyl.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","6939","6942","10.1039/c0dt00461h","","","0.71073","MoKα","","0.0195","0.017","","","0.0397","0.0405","","","","","","1.14","","","","has coordinates","179970","2020-10-21","18:00:00",""
"7026486","8.9426","0.0007","13.3473","0.0011","14.5746","0.0012","90","","90","","90","","1739.6","0.2","243","2","243","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H12 B I2 In N4 S2 -","- C8 H12 B I2 In N4 S2 -","- C32 H48 B4 I8 In4 N16 S8 -","4","0.5","","Yurkerwich, Kevin; Coleman, Fergal; Parkin, Gerard","Bis(2-mercapto-1-R-imidazolyl)hydroborato complexes of aluminium, gallium, indium and thallium: compounds possessing gallium-gallium bonds and a trivalent thallium alkyl.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","6939","6942","10.1039/c0dt00461h","","","0.71073","MoKα","","0.0198","0.0169","","","0.0409","0.042","","","","","","1.066","","","","has coordinates","179970","2020-10-21","18:00:00",""
"7026578","19.834","0.004","20.079","0.004","11.421","0.002","90","","90","","90","","4548.4","1.5","160","2","160","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- B12 I12 Na2 O16 S8 -","- B12 I12 Na2 O16 S8 -","- B48 I48 Na8 O64 S32 -","4","0.5","","Derendorf, Janis; Kessler, Mathias; Knapp, Carsten; Rühle, Monika; Schulz, Christoph","Alkali metal-sulfur dioxide complexes stabilized by halogenated closo-dodecaborate anions.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8671","8678","10.1039/c0dt00521e","","","0.71073","MoKα","","0.0206","0.0192","","","0.04","0.0403","","","","","","1.282","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7026605","9.9363","0.0007","10.6261","0.0008","13.7536","0.0009","90","","90","","90","","1452.16","0.18","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4.5 H9 Co0.5 F0 O1.5 P -","- C4.5 H9 Co0.5 O1.5 P -","- C36 H72 Co4 O12 P8 -","8","1","","Lian, Zhe; Xu, Xiaofeng; Sun, Hongjian; Chen, Yue; Zheng, Tingting; Li, Xiaoyan","Imine-assisted C-F bond activation using low-valent cobalt compounds supported by trimethylphosphine ligands and formation of novel organic fluorides.","Dalton transactions (Cambridge, England : 2003)","2010","39","40","9523","9529","10.1039/c0dt00526f","","","0.71073","MoKα","","0.0533","0.0318","","","0.076","0.0856","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026621","7.4005","0.0004","9.7119","0.0006","14.5871","0.0008","90","","90","","90","","1048.42","0.1","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C H10 O11 P2 U -","- C H10 O11 P2 U -","- C4 H40 O44 P8 U4 -","4","0.5","","Knope, Karah E.; Cahill, Christopher L.","Homometallic UO2(2+) diphosphonates assembled under ambient and hydrothermal conditions.","Dalton transactions (Cambridge, England : 2003)","2010","39","35","8319","8324","10.1039/c0dt00538j","","","0.71073","MoKα","","0.0224","0.0178","","","0.0368","0.0379","","","","","","1.062","","","","has coordinates","179972","2020-10-21","18:00:00",""
"7026629","23.072","0.005","19.976","0.005","6.025","0.005","90","","90","","90","","2777","2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","9-Bzadenine silver complex","","","- C26 H22 Ag N12 O3 -","- C26 H22 Ag N12 O3 -","- C104 H88 Ag4 N48 O12 -","4","0.5","","Mishra, Ashutosh Kumar; Prajapati, Rajneesh Kumar; Verma, Sandeep","Probing structural consequences of N9-alkylation in silver-adenine frameworks.","Dalton transactions (Cambridge, England : 2003)","2010","39","42","10034","10037","10.1039/c0dt00557f","","","0.71069","MoKα","","0.0588","0.042","","","0.1088","0.1281","","","","","","1.124","","","","has coordinates","179972","2020-10-21","18:00:00",""
"7026725","34.7456","0.0017","23.7703","0.001","9.0704","0.0004","90","","90","","90","","7491.4","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H60 I15 N5 O5 Pb4 -","- C20 H60 I15 N5 O5 Pb4 -","- C80 H240 I60 N20 O20 Pb16 -","4","0.5","","Li, Hao-Hong; Chen, Zhi-Rong; Cheng, Li-Chuan; Wang, Yun-Jie; Feng, Miao; Wang, Min","Hybrid polymeric iodoplumbates constructed from morpholine and its derivatives: structures and properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","11000","11007","10.1039/c0dt00622j","","","0.71073","MoKα","","0.0729","0.0651","","","0.1933","0.1992","","","","","","1.165","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7026762","17.0556","0.001","21.0516","0.0008","9.1488","0.0005","90","","90","","90","","3284.9","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H40 N9 O12.5 S2 Zn2 -","- C22 H35 N9 O12.5 S2 Zn2 -","- C88 H140 N36 O50 S8 Zn8 -","4","0.5","","Núñez, Cristina; Bastida, Rufina; Macías, Alejandro; Valencia, Laura; Neuman, Nicolás I; Rizzi, Alberto C.; Brondino, Carlos D.; González, Pablo J; Capelo, José Luis; Lodeiro, Carlos","Structural, MALDI-TOF-MS, magnetic and spectroscopic studies of new dinuclear copper(II), cobalt(II) and zinc(II) complexes containing a biomimicking μ-OH bridge.","Dalton transactions (Cambridge, England : 2003)","2010","39","48","11654","11663","10.1039/c0dt00692k","","","0.71073","MoKα","","0.1106","0.0524","","","0.1289","0.1608","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026776","15.887","0.005","26.686","0.009","10.632","0.003","90","","90","","90","","4508","2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H48 Cd3 N6 O26 S4 -","- C24 H48 Cd3 N6 O26 S4 -","- C96 H192 Cd12 N24 O104 S16 -","4","0.5","","Park, In-Hyeok; Park, Ki-Min; Lee, Shim Sung","Preparation and characterisation of divalent hard and soft metal (M = Ca, Co, Cu, Zn, Cd, Hg and Pb) complexes of 1,10-dithia-18-crown-6: structural versatility.","Dalton transactions (Cambridge, England : 2003)","2010","39","40","9696","9704","10.1039/c0dt00696c","","","0.71073","MoKα","","0.0272","0.0236","","","0.0567","0.0585","","","","","","1.076","","","","has coordinates","179973","2020-10-21","18:00:00",""
"7026991","15.521","0.004","6.672","0.001","29.135","0.006","90","","90","","90","","3017.1","1.1","140","2","140","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H9 Au Br N -","- C9 H9 Au Br N -","- C108 H108 Au12 Br12 N12 -","12","1.5","","Ecken, Holger; Olmstead, Marilyn M.; Noll, Bruce C.; Attar, Saeed; Schlyer, Bruce; Balch, Alan L.","Effects of anions on the solid state structures of linear gold(I) complexes of the type (o-xylyl isocyanide)gold(I) (monoanion)","Journal of the Chemical Society, Dalton Transactions","1998","","22","3715","","10.1039/a805086d","","","0.71073","MoKα","","0.0662","0.0418","","","0.0833","0.0946","","","","","","1.004","","","","has coordinates","179975","2020-10-21","18:00:00",""
"7027028","25.281","0.004","15.536","0.002","10.37","0.002","90","","90","","90","","4073","1.1","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H24 Al3 Cl12 N8 Yb -","- C16 H24 Al3 Cl12 N8 Yb -","- C64 H96 Al12 Cl48 N32 Yb4 -","4","0.5","","Deacon, Glen B.; Görtler, Bernd; Junk, Peter C.; Lork, Enno; Mews, Rüdiger; Petersen, Jan; Zemva, Boris","Syntheses and structures of some homoleptic acetonitrile lanthanoid(III) complexes","Journal of the Chemical Society, Dalton Transactions","1998","","22","3887","","10.1039/a805793a","","","0.71073","MoKα","","0.0498","0.034","","0.0788","0.0754","","","","0.931","1.026","1.026","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027061","15.803","0.009","19.024","0.005","19.652","0.009","90","","90","","90","","5908","5","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","2,3,7,8,12,13-Hexabromo-17,18-diethyl-22,24-dihydro- 5,10,15,20-tetraphenylporphyrin ditrifluoroacetate","","- C54 H36 Br6 Cl6 F6 N4 O4 -","- C54 H34 Br6 Cl6 F6 N4 O4 -","- C216 H136 Br24 Cl24 F24 N16 O16 -","4","0.5","","Senge, Mathias O.; Gerstung, Vanessa; Ruhlandt-Senge, Karin; Runge, Steffen; Lehmann, Ingo","Non-planar porphyrins with mixed substituent pattern: bromination and formylation of ethyl-substituted tetraphenylporphyrins and tetraalkylporphyrins","Journal of the Chemical Society, Dalton Transactions","1998","","24","4187","","10.1039/a806460a","","","1.54178","CuKα","","0.102","0.0764","","","0.1953","0.2106","","","","","","1.182","","","","has coordinates","288183","2023-12-08","14:43:00",""
"7027232","12.861","0.002","9.978","0.001","10.715","0.002","90","","90","","90","","1375","0.4","150","","150","","","","","","","","cooling a CHCl~3~/hexane mixture","5","P n m a","-P 2ac 2n","62","","","","- C10 H12 O4 Se2 W -","- C10 H12 O4 Se2 W -","- C40 H48 O16 Se8 W4 -","4","0.5","","Davies, Maxwell K.; Durrant, Marcus C.; Levason, William; Reid, Gillian; Richards, Raymond L.","Synthesis, spectroscopic and structural studies on transition metal carbonyl complexes of cyclic di- and tetra-selenoether ligands","Journal of the Chemical Society, Dalton Transactions","1999","","7","1077","","10.1039/a809853k","","","0.71073","MoKalpha","","","0.0352","","","0.0398","","","","","1.976","1.976","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027412","6.913","0.004","9.777","0.005","15.75","0.009","90","","90","","90","","1064.5","1","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Tri(copper(i) iodide) triazine","1,3,5-triazine tris(copper(I) iodide)","","- C3 H3 Cu3 I3 N3 -","- C3 H3 Cu3 I3 N3 -","- C12 H12 Cu12 I12 N12 -","4","0.5","","Blake, Alexander J.; Brooks, Neil R.; Champness, Neil R.; Cooke, Paul A.; Deveson, Anne M.; Fenske, Dieter; Hubberstey, Peter; Li, Wan-Sheung; Schröder, Martin","Controlling copper(I) halide framework formation using N-donor bridging ligand symmetry: use of 1,3,5-triazine to construct architectures with threefold symmetry","Journal of the Chemical Society, Dalton Transactions","1999","","13","2103","","10.1039/a902290b","","","0.71073","MoKα","","0.0371","0.0293","","","0.0719","0.0755","","","","","","1.183","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7027502","5.904","0.002","11.593","0.003","9.038","0.004","90","","90","","90","","618.6","0.4","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[Cu(pyrazine)(NCO)]n","","","- C5 H4 Cu N3 O -","- C5 H4 Cu N3 O -","- C20 H16 Cu4 N12 O4 -","4","0.5","","Goher, Mohamed A. S.; Mautner, Franz A.","The first copper(I) complex containing a cyanato ligand. Synthesis and structural characterization of [Cu(pyz)(μ-NCO)]n (pyz = pyrazine)","Journal of the Chemical Society, Dalton Transactions","1999","","12","1923","","10.1039/a903332g","","","0.71069","MoKα","","0.0307","0.0261","","0.0655","0.0617","","","","1.095","1.087","1.087","","","","","has coordinates","179981","2020-10-21","18:00:00",""
"7027567","10.4459","0.0003","10.647","0.0002","28.3609","0.0007","90","","90","","90","","3154.23","0.13","203","2","203","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","(5,14-dihydro-6,8,15,17-tetramethyldibenzo[b,i][1,4,8,11]- tetraazacyclotetradecinato)methyltin(IV).dichloroform solvate","","- C25 H20 Cl6 I N4 Sn -","- C25 H20 Cl6 I N4 Sn -","- C100 H80 Cl24 I4 N16 Sn4 -","4","0.5","","Belcher, Warwick J.; Brothers, Penelope J.; Meredith, Anthony P.; Rickard, Clifton E. F.; Ware, David C.","Tin complexes of tetramethyltetraazadibenzo[14]annulene: organometallic derivatives","Journal of the Chemical Society, Dalton Transactions","1999","","16","2833","","10.1039/a904146j","","","0.71073","MoKα","","0.0427","0.0345","","","0.0871","0.0919","","","","","","1.063","","","","has coordinates","179981","2020-10-21","18:00:00",""
"7027686","7.555","0.002","15.516","0.002","9.9151","0.001","90","","90","","90","","1162.3","0.4","203","2","203","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H8 Cl6 N2 Se -","- C3 H8 Cl6 N2 Se -","- C12 H32 Cl24 N8 Se4 -","4","0.5","","Boyle, Philip D.; Godfrey, Stephen M.; Pritchard, Robin G.","The reaction of N-methylbenzothiazole-2-selone and 1,1-dimethylselenourea with sulfuryl chloride and dichlorine †","Journal of the Chemical Society, Dalton Transactions","1999","","23","4245","","10.1039/a905552e","","","0.71073","MoKα","","0.2377","0.0549","","","0.0909","0.14","","","","","","0.866","","","","has coordinates","179982","2020-10-21","18:00:00",""
"7027954","14.6343","0.0002","16.1063","0.0001","13.9204","0.0002","90","0.001","90","0.001","90","0.001","3281.1","0.07","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C24 H51 Br Li3 N3 O3 S -","- C24 H51 Br Li3 N3 O3 S -","- C96 H204 Br4 Li12 N12 O12 S4 -","4","0.5","","Fleischer, Roland; Freitag, Stefanie; Stalke, Dietmar","Oxidation of [Li4{(NBut)3S}2]: a new route to sulfur triimides ‡","Journal of the Chemical Society, Dalton Transactions","1998","","2","193","","10.1039/a707085c","","","0.71073","MoKα","","0.0466","0.0441","","0.0964","0.0951","","","","1.335","1.353","1.353","","","","","has coordinates,has disorder","179985","2020-10-21","18:00:00",""
"7027955","14.231","0.005","16.388","0.002","13.949","0.002","90","","90","","90","","3253.2","1.3","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C24 H51 I Li3 N3 O3 S -","- C24 H51.2 I Li3 N3 O3 S -","- C96 H204.8 I4 Li12 N12 O12 S4 -","4","0.5","","Fleischer, Roland; Freitag, Stefanie; Stalke, Dietmar","Oxidation of [Li4{(NBut)3S}2]: a new route to sulfur triimides ‡","Journal of the Chemical Society, Dalton Transactions","1998","","2","193","","10.1039/a707085c","","","0.71073","MoKα","","0.0576","0.0497","","0.1397","0.132","","","","1.047","1.081","1.081","","","","","has coordinates,has disorder","179985","2020-10-21","18:00:00",""
"7028029","11.816","0.004","21.028","0.007","15.085","0.004","90","","90","","90","","3748","2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C43 H38 N3 O P2 Re -","- C43 H38 N3 O P2 Re -","- C172 H152 N12 O4 P8 Re4 -","4","0.5","","Refosco, Fiorenzo; Bolzati, Cristina; Tisato, Francesco; Bandoli, Giuliano","Syntheses and structural characterizations of phenylimidorhenium(V) complexes containing bi- or tetra-dentate phosphinoamido ligands","Journal of the Chemical Society, Dalton Transactions","1998","","6","923","","10.1039/a707330e","","","0.71073","MoKα","","0.0655","0.0484","","0.3022","0.1299","","","","1.186","1.259","1.259","","","","","has coordinates","179986","2020-10-21","18:00:00",""
"7028138","14.6248","0.001","5.5633","0.001","8.5168","0.001","90","","90","","90","","692.95","0.16","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- K O8 Sb V2 -","- K O8 Sb V2 -","- K4 O32 Sb4 V8 -","4","0.5","","Devi, R. Nandini; Vidyasagar, K.","Synthesis and characterization of new vanadates of antimony, ASbV2O8 (A = K, Rb, Tl or Cs) †","Journal of the Chemical Society, Dalton Transactions","1998","","18","3013","","10.1039/a802816h","","","0.71073","MoKα","","0.0254","0.0241","","0.0744","0.0738","","","","1.411","1.43","1.43","","","","","has coordinates","179987","2020-10-21","18:00:00",""
"7028139","14.722","0.002","5.5679","0.0008","8.6697","0.0013","90","","90","","90","","710.66","0.18","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- O8 Rb Sb V2 -","- O8 Rb Sb V2 -","- O32 Rb4 Sb4 V8 -","4","0.5","","Devi, R. Nandini; Vidyasagar, K.","Synthesis and characterization of new vanadates of antimony, ASbV2O8 (A = K, Rb, Tl or Cs) †","Journal of the Chemical Society, Dalton Transactions","1998","","18","3013","","10.1039/a802816h","","","0.71073","MoKα","","0.031","0.0272","","0.0779","0.075","","","","1.163","1.181","1.181","","","","","has coordinates","179987","2020-10-21","18:00:00",""
"7028288","19.5396","0.0016","23.505","0.002","7.5642","0.0006","90","","90","","90","","3474.1","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C25 H18 Cl4 F8 Fe N12 -","- C25 H18 Cl4 F8 Fe N12 -","- C100 H72 Cl16 F32 Fe4 N48 -","4","0.5","","Zhang, Zhi-Hui; Zhang, Qing-Qing; Feng, Sheng; Hu, Zhao-Jian; Chen, Sheng-Chun; Chen, Qun; He, Ming-Yang","Fluorinated metal-organic frameworks of 1,4-bis(1,2,4-triazol-1-ylmethyl)-2,3,5,6-tetrafluorobenzene: synergistic interactions of ligand isomerism and counteranions.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","646","655","10.1039/c3dt52211c","","","0.71073","MoKα","","0.0735","0.0507","","","0.1219","0.1331","","","","","","1.004","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028289","19.282","0.008","23.511","0.009","7.617","0.003","90","","90","","90","","3453","2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl2 Cu F8 N12 O4 -","- C24 H24 Cl2 Cu F8 N12 O4 -","- C96 H96 Cl8 Cu4 F32 N48 O16 -","4","0.5","","Zhang, Zhi-Hui; Zhang, Qing-Qing; Feng, Sheng; Hu, Zhao-Jian; Chen, Sheng-Chun; Chen, Qun; He, Ming-Yang","Fluorinated metal-organic frameworks of 1,4-bis(1,2,4-triazol-1-ylmethyl)-2,3,5,6-tetrafluorobenzene: synergistic interactions of ligand isomerism and counteranions.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","646","655","10.1039/c3dt52211c","","","0.71073","MoKα","","0.1282","0.0884","","","0.252","0.2831","","","","","","1.092","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028386","16.514","0.0004","20.8786","0.0007","14.0532","0.0004","90","","90","","90","","4845.4","0.2","120","2","120","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","","","- C20 H24 N4 O41 Si W12 -","- C20 H24 N4 O42 Si W12 -","- C80 H96 N16 O168 Si4 W48 -","4","0.5","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Lotfian, Nahid; Salimi, Alireza; Bauzá, Antonio; Van Deun, Rik; Decadt, Roel; Barceló-Oliver, Miquel; Frontera, Antonio","Syntheses, structures, properties and DFT study of hybrid inorganic-organic architectures constructed from trinuclear lanthanide frameworks and Keggin-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1906","1916","10.1039/c3dt51971f","","x-ray","0.71073","MoKα","","0.1193","0.1011","","","0.2018","0.2104","","","","","","1.238","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028423","12.203","0.003","8.517","0.002","7.388","0.003","90","","90","","90","","767.9","0.4","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C5 H10 Cl2 N2 -","- C5 H10 Cl2 N2 -","- C20 H40 Cl8 N8 -","4","0.5","","Böttcher, Tobias; Steinhauer, Simon; Allefeld, Nadine; Hoge, Berthold; Neumann, Beate; Stammler, Hans Georg; Bassil, Bassem S.; Winter, Martin; Mitzel, Norbert W.; Röschenthaler, Gerd-Volker","Carbene complexes of phosphorus(v) fluorides substituted with perfluoroalkyl-groups synthesized by oxidative addition. Cleavage of the complexes reveals a new synthetic protocol for ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2979","2987","10.1039/c3dt53043d","","","0.71073","MoKα","","0.0876","0.076","","","0.197","0.2072","","","","","","1.006","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028424","8.5939","0.0006","12.283","0.0008","9.743","0.0005","90","","90","","90","","1028.46","0.11","240","2","240","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H10 F7 N2 P -","- C6 H10 F7 N2 P -","- C24 H40 F28 N8 P4 -","4","0.5","","Böttcher, Tobias; Steinhauer, Simon; Allefeld, Nadine; Hoge, Berthold; Neumann, Beate; Stammler, Hans Georg; Bassil, Bassem S.; Winter, Martin; Mitzel, Norbert W.; Röschenthaler, Gerd-Volker","Carbene complexes of phosphorus(v) fluorides substituted with perfluoroalkyl-groups synthesized by oxidative addition. Cleavage of the complexes reveals a new synthetic protocol for ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2979","2987","10.1039/c3dt53043d","","","0.71073","MoKα","","0.063","0.0476","","","0.1301","0.1414","","","","","","1.059","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028942","11.3436","0.0009","26.935","0.004","11.4129","0.0015","90","","90","","90","","3487.1","0.7","90","2","90","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C36 H50 Cs N2 -","- C36 H50 Cs N2 -","- C144 H200 Cs4 N8 -","4","0.5","","Robinson, Sarah; Davies, E. Stephen; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Alkali metal derivatives of an ortho-phenylene diamine.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4351","4360","10.1039/c3dt52632a","","","1.54184","CuKα","","0.1828","0.0993","","","0.2117","0.264","","","","","","1.061","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7029265","11.65","0.0005","21.5505","0.0009","10.9679","0.0005","90","","90","","90","","2753.6","0.2","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C30 H38 N2 Sn -","- C30 H38 N2 Sn -","- C120 H152 N8 Sn4 -","4","0.5","","Krupski, Sergei; Pöttgen, Rainer; Schellenberg, Inga; Hahn, F. Ekkehardt","Benzannulated N-heterocyclic germylenes and stannylenes with sterically demanding N,N'-substituents.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","173","181","10.1039/c3dt51961a","","","0.71073","MoKα","","0.0283","0.0245","","","0.0628","0.0652","","","","","","1.053","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029461","5.6928","0.0008","7.4902","0.001","5.2646","0.0007","90","","90","","90","","224.48","0.05","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Mn O6 Y2 -","- Fe Mn O6 Y2 -","- Fe2 Mn2 O12 Y4 -","2","0.25","","Liu, Fuyang; Li, Junjia; Li, Qiliang; Wang, Ying; Zhao, Xudong; Hua, Yingjie; Wang, Chongtai; Liu, Xiaoyang","High pressure synthesis, structure, and multiferroic properties of two perovskite compounds Y2FeMnO6 and Y2CrMnO6.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1691","1698","10.1039/c3dt52336e","","","0.71073","MoKα","","0.0151","0.0138","","","0.0345","0.0351","","","","","","1.178","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029490","13.1101","0.0004","14.8267","0.0006","7.9466","0.0002","90","","90","","90","","1544.66","0.09","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H16 Mn2 N4 Se4 Sn -","- C4 H16 Mn2 N4 Se4 Sn -","- C16 H64 Mn8 N16 Se16 Sn4 -","4","0.5","","Du, Cheng-Feng; Feng, Mei-Ling; Li, Jian-Rong; Zou, Guo-Dong; Du, Ke-Zhao; Huang, Xiao-Ying","Assembly and structural transformation of organic-decorated manganese selenidostannates.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6002","6005","10.1039/c3dt53346h","","","0.71073","MoKα","","0.0328","0.0234","","","0.0506","0.0538","","","","","","1.041","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029495","18.9292","0.0016","24.32","0.002","9.6354","0.0008","90","","90","","90","","4435.7","0.6","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H34 N4 O10 Zn2 -","- C39 H34 N4 O10 Zn2 -","- C156 H136 N16 O40 Zn8 -","4","0.5","","Sen, Susan; Neogi, Subhadip; Aijaz, Arshad; Xu, Qiang; Bharadwaj, Parimal K.","Structural variation in Zn(ii) coordination polymers built with a semi-rigid tetracarboxylate and different pyridine linkers: synthesis and selective CO2 adsorption studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6100","6107","10.1039/c3dt52977k","","","0.71073","MoKα","","0.1138","0.0885","","","0.264","0.2833","","","","","","1.136","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029582","10.14","0.002","41.977","0.008","4.497","0.0009","90","","90","","90","","1914.1","0.6","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H20 N10 -","- C20 H20 N10 -","- C80 H80 N40 -","4","0.5","","Vuong, Khuong Q.; Wong, Chin M.; Bhadbhade, Mohan; Messerle, Barbara A.","Bi- and tri-metallic Rh and Ir complexes containing click derived bis- and tris-(pyrazolyl-1,2,3-triazolyl) N-N' donor ligands and their application as catalysts for the dihydroalkoxylation of alkynes.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7540","7553","10.1039/c3dt53295j","","","0.71073","Synchrotron","","0.0772","0.0756","","","0.1784","0.1792","","","","","","1.205","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029752","12.675","0.001","23.628","0.001","9.1971","0.0012","90","","90","","90","","2754.4","0.4","150","1","150","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C24 H27 B2 Br2 N2 O3 Sb -","- C24 H27 B2 Br2 N2 O3 Sb -","- C96 H108 B8 Br8 N8 O12 Sb4 -","4","0.5","","Kořenková, Monika; Mairychová, Barbora; Růžička, Aleš; Jambor, Roman; Dostál, Libor","Synthesis of heteroboroxines with MB2O3 core (M = Sb, Bi, Sn)-an influence of the substitution of parent boronic acids.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7096","7108","10.1039/c3dt53012d","","","0.71073","MoKα","","0.0701","0.0451","","","0.0876","0.1013","","","","","","1.155","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029754","12.5821","0.0007","23.464","0.0006","9.1219","0.0017","90","","90","","90","","2693","0.5","150","1","150","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C24 H27 B2 Bi Br2 N2 O3 -","- C24 H27 B2 Bi Br2 N2 O3 -","- C96 H108 B8 Bi4 Br8 N8 O12 -","4","0.5","","Kořenková, Monika; Mairychová, Barbora; Růžička, Aleš; Jambor, Roman; Dostál, Libor","Synthesis of heteroboroxines with MB2O3 core (M = Sb, Bi, Sn)-an influence of the substitution of parent boronic acids.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7096","7108","10.1039/c3dt53012d","","","0.71073","MoKα","","0.0342","0.0255","","","0.0492","0.0528","","","","","","1.126","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029927","19.542","0.004","16.44","0.003","10.733","0.002","90","","90","","90","","3448.2","1.1","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H47 B10 Cl N2 -","- C29 H47 B10 Cl N2 -","- C116 H188 B40 Cl4 N8 -","4","0.5","","Zheng, Fangrui; Xie, Zuowei","Reaction of o-carboranes with sterically demanding N-heterocyclic carbene: synthesis and structural characterization of 1 : 1 adducts.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12907","12914","10.1039/c2dt31765f","","","0.71073","MoKα","","0.1677","0.0688","","","0.1638","0.2267","","","","","","1.003","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029928","19.6046","0.0013","16.427","0.001","10.7516","0.0007","90","","90","","90","","3462.5","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H47 B10 Br N2 -","- C29 H47 B10 Br N2 -","- C116 H188 B40 Br4 N8 -","4","0.5","","Zheng, Fangrui; Xie, Zuowei","Reaction of o-carboranes with sterically demanding N-heterocyclic carbene: synthesis and structural characterization of 1 : 1 adducts.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12907","12914","10.1039/c2dt31765f","","","0.71073","MoKα","","0.0777","0.0485","","","0.1244","0.1441","","","","","","1.018","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029929","19.8259","0.0009","16.3334","0.0006","10.7837","0.0004","90","","90","","90","","3492","0.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H47 B10 I N2 -","- C29 H47 B10 I N2 -","- C116 H188 B40 I4 N8 -","4","0.5","","Zheng, Fangrui; Xie, Zuowei","Reaction of o-carboranes with sterically demanding N-heterocyclic carbene: synthesis and structural characterization of 1 : 1 adducts.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12907","12914","10.1039/c2dt31765f","","","0.71073","MoKα","","0.0497","0.0381","","","0.0979","0.1062","","","","","","1.086","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029930","21.29","0.03","17.2","0.02","10.674","0.015","90","","90","","90","","3909","9","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C35 H52 B10 N2 -","- C35 H52 B10 N2 -","- C140 H208 B40 N8 -","4","0.5","","Zheng, Fangrui; Xie, Zuowei","Reaction of o-carboranes with sterically demanding N-heterocyclic carbene: synthesis and structural characterization of 1 : 1 adducts.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12907","12914","10.1039/c2dt31765f","","","0.71073","MoKα","","0.1151","0.0668","","","0.1724","0.2112","","","","","","1.045","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7030036","17.4882","0.0002","18.0767","0.0002","10.3297","0.0001","90","","90","","90","","3265.52","0.06","100","","100","","","","","","","","Synthesized by the authors. See text","5","P n m a","-P 2ac 2n","62","","","","- C15.5 H25.5 Mg0.5 N1.5 Si -","- C15.5 H25.5 Mg0.5 N1.5 Si -","- C124 H204 Mg4 N12 Si8 -","8","1","","Whitehorne, Todd J. J.; Vabre, Boris; Schaper, Frank","Lactide polymerization catalyzed by Mg and Zn diketiminate complexes with flexible ligand frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6339","6352","10.1039/c3dt53278j","","","1.54178","CuKα","","0.0346","0.0338","","","0.0952","0.0959","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030070","13.0153","0.0011","18.5286","0.0016","6.1583","0.0004","90","","90","","90","","1485.1","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba4 Cr F4 Ga2 S6 -","- Ba4 Cr F4 Ga2 S6 -","- Ba16 Cr4 F16 Ga8 S24 -","4","0.5","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cheng, Wen-Dan; Li, Yuan-Bing; Zhang, Hao; Zhang, Wei-Long; He, Zhang-Zhen","Syntheses and characterizations of compounds Ba4F4XGa2S6 (X = Cr, Mn, Fe) and Ba4F4MnIn2S6 with 2D layered structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9938","9945","10.1039/c3dt50483b","","","0.71073","MoKα","","0.0589","0.0376","","","0.1363","0.1576","","","","","","0.996","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030072","12.694","0.008","18.867","0.013","6.116","0.004","90","","90","","90","","1464.8","1.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba4 F4 Fe Ga2 S6 -","- Ba4 F4 Fe Ga2 S6 -","- Ba16 F16 Fe4 Ga8 S24 -","4","0.5","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cheng, Wen-Dan; Li, Yuan-Bing; Zhang, Hao; Zhang, Wei-Long; He, Zhang-Zhen","Syntheses and characterizations of compounds Ba4F4XGa2S6 (X = Cr, Mn, Fe) and Ba4F4MnIn2S6 with 2D layered structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9938","9945","10.1039/c3dt50483b","","","0.71073","MoKα","","0.0608","0.0415","","","0.1325","0.1537","","","","","","0.991","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030073","12.926","0.006","18.91","0.008","6.363","0.003","90","","90","","90","","1555.3","1.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba4 F4 In2 Mn S6 -","- Ba4 F4 In2 Mn S6 -","- Ba16 F16 In8 Mn4 S24 -","4","0.5","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cheng, Wen-Dan; Li, Yuan-Bing; Zhang, Hao; Zhang, Wei-Long; He, Zhang-Zhen","Syntheses and characterizations of compounds Ba4F4XGa2S6 (X = Cr, Mn, Fe) and Ba4F4MnIn2S6 with 2D layered structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9938","9945","10.1039/c3dt50483b","","","0.71073","MoKα","","0.0619","0.0425","","","0.1549","0.1753","","","","","","1.113","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030075","13.069","0.008","6.218","0.004","4.402","0.003","90","","90","","90","","357.7","0.4","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Br Cl Hg -","- Br Cl Hg -","- Br4 Cl4 Hg4 -","4","0.5","","Dang, Yangyang; Meng, Xianggao; Jiang, Kui; Zhong, Cheng; Chen, Xingguo; Qin, Jingui","A promising nonlinear optical material in the Mid-IR region: new results on synthesis, crystal structure and properties of noncentrosymmetric β-HgBrCl.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9893","9897","10.1039/c3dt50291k","","","0.71073","MoKα","","0.0629","0.0383","","","0.0918","0.1039","","","","","","1.057","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030103","21.705","0.007","12.007","0.004","12.259","0.004","90","","90","","90","","3194.8","1.8","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H39 Cl2 N3 O3 Zn2 -","- C29 H39 Cl2 N3 O3 Zn2 -","- C116 H156 Cl8 N12 O12 Zn8 -","4","0.5","","Chen, Hui-Qing; Zhang, Kun; Jin, Chao; Huang, Wei","Zinc halide template effects on the construction of [1 + 1] flexible Schiff-base macrocyclic complexes having pendant-armed dialdehyde components.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8486","8492","10.1039/c4dt00605d","","","0.71073","MoKα","","0.2493","0.0942","","","0.2077","0.244","","","","","","1.034","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030105","19.26","0.003","12.2355","0.0019","14.146","0.002","90","","90","","90","","3333.6","0.9","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H39 I2 N3 O3 Zn2 -","- C29 H39 I2 N3 O3 Zn2 -","- C116 H156 I8 N12 O12 Zn8 -","4","0.5","","Chen, Hui-Qing; Zhang, Kun; Jin, Chao; Huang, Wei","Zinc halide template effects on the construction of [1 + 1] flexible Schiff-base macrocyclic complexes having pendant-armed dialdehyde components.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8486","8492","10.1039/c4dt00605d","","","0.71073","MoKα","","0.0822","0.0483","","","0.1305","0.1449","","","","","","1.054","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030147","10.9851","0.0004","6.3686","0.0003","11.4343","0.0004","90","","90","","90","","799.94","0.06","300","","300","","","","","","","","","6","P n m a","-P 2ac 2n","62","BYH221LonG.cif","","","- F Fe Li Na O4 P -","- F Fe Li Na O4 P -","- F8 Fe8 Li8 Na8 O32 P8 -","8","1","","Ben Yahia, Hamdi; Shikano, Masahiro; Sakaebe, Hikari; Koike, Shinji; Tabuchi, Mitsuharu; Kobayashi, Hironori; Kawaji, Hitoshi; Avdeev, Maxim; Miiller, Wojciech; Ling, Christopher D.","Synthesis and characterization of the crystal structure, the magnetic and the electrochemical properties of the new fluorophosphate LiNaFe[PO4]F.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11692","11699","10.1039/c2dt30739a","powder diffraction","neutron","2.4395","","","","","","","","","0.05186","","1.47","","","","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030207","15.5221","0.0001","15.5219","0.0006","6.4783","0.0002","90","","90","","90","","1560.83","0.08","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H16 Eu N O15 -","- C8 H16 Eu N O15 -","- C32 H64 Eu4 N4 O60 -","4","0.5","","Wang, Yu-Ling; Jiang, Yun-Liang; Xiahou, Zuo-Juan; Fu, Jiang-Hong; Liu, Qing-Yan","Diversity of lanthanide(III)-2,5-dihydroxy-1,4-benzenedicarboxylate extended frameworks: syntheses, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11428","11437","10.1039/c2dt31090b","","","0.71073","MoKα","","0.0182","0.0164","","","0.0407","0.0415","","","","","","1.062","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030399","17.68","0.005","13.346","0.004","26.399","0.008","90","","90","","90","","6229","3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- As4 Cs5 H25 Na4 Nb8 O66 -","- As4 Cs5 Na4 Nb8 O66 -","- As16 Cs20 Na16 Nb32 O264 -","4","0.5","","Geng, Qiaohua; Liu, Qisen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Synthesis, crystal structure and photocatalytic properties of an unprecedented arsenic-disubstituted Lindqvist-type peroxopolyoxoniobate ion: {As2Nb4(O2)4O14H1.5}(4.5-).","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9843","9846","10.1039/c4dt00875h","","","0.71073","MoKα","","0.0639","0.0513","","","0.161","0.174","","","","","","1.073","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030460","15.04","0.006","11.524","0.005","16.288","0.006","90","","90","","90","","2823","2","298","2","298","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C26 H30 Cl F6 N4 O P Ru -","- C26 H30 Cl F6 N4 O P Ru -","- C104 H120 Cl4 F24 N16 O4 P4 Ru4 -","4","0.5","","Haghighi, Farid Hajareh; Hadadzadeh, Hassan; Farrokhpour, Hossein; Serri, Nafiseh; Abdi, Khatereh; Amiri Rudbari, Hadi","Computational and experimental study on the electrocatalytic reduction of CO2 to CO by a new mononuclear ruthenium(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11317","11332","10.1039/c4dt00932k","","","0.71073","MoKα","","0.0556","0.0405","","","0.108","0.119","","","","","","1.069","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030922","12.0607","0.0005","9.6544","0.0006","18.188","0.0008","90","","90","","90","","2117.79","0.18","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H16 B2 Br2 Cl2 N6 -","- C16 H16 B2 Br2 Cl2 N6 -","- C64 H64 B8 Br8 Cl8 N24 -","4","0.5","","Seven, Omer; Popp, Sebastian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and characterisation of the complete series of B-N analogues of triptycene.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8241","8253","10.1039/c4dt00442f","","","0.71073","MoKα","","0.0383","0.0353","","","0.078","0.0794","","","","","","1.18","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030970","19.079","0.005","18.583","0.005","10.924","0.005","90","","90","","90","","3873","2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C32 H40 Cl2 N4 O10 P2 V2 -","- C32 H40 Cl2 N4 O10 P2 V2 -","- C128 H160 Cl8 N16 O40 P8 V8 -","4","0.5","","Sahoo, Dipankar; Suriyanarayanan, Ramakirushnan; Chandrasekhar, Vadapalli","Di-, tri- and tetranuclear molecular vanadium phosphonates: a chloride encapsulated tetranuclear bowl.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10898","10909","10.1039/c4dt00720d","","","0.71069","MoKα","","0.0898","0.0673","","","0.1543","0.167","","","","","","1.055","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030971","23.066","0.005","14.961","0.005","10.893","0.005","90","","90","","90","","3759","2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C28 H41 Cl2 N4 O11 P2 V2 -","- C28 H41 Cl2 N4 O11 P2 V2 -","- C112 H164 Cl8 N16 O44 P8 V8 -","4","0.5","","Sahoo, Dipankar; Suriyanarayanan, Ramakirushnan; Chandrasekhar, Vadapalli","Di-, tri- and tetranuclear molecular vanadium phosphonates: a chloride encapsulated tetranuclear bowl.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10898","10909","10.1039/c4dt00720d","","","0.71069","MoKα","","0.1351","0.1182","","","0.2723","0.2865","","","","","","1.034","","","","has coordinates,has disorder","180015","2020-10-21","18:00:00",""
"7031024","15.414","0.003","6.718","0.0013","14.322","0.003","90","","90","","90","","1483.1","0.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H8 Ce N2 Na O12 -","- C8 H8 Ce N2 Na O12 -","- C32 H32 Ce4 N8 Na4 O48 -","4","0.5","","zhang, fengming; Yan, Pengfei; Li, Hongfeng; zou, xiaoyan; Hou, Guangfeng; li, guangming","Towards full-color-tunable emission of two component Eu(III)-doped Gd(III) coordination frameworks by variation of excitation light","Dalton Transactions","2014","","","","","10.1039/c4dt00837e","","","0.71073","MoKα","","0.0749","0.0693","","","0.1897","0.1954","","","","","","1.074","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031025","15.569","0.003","6.8533","0.0013","14.397","0.003","90","","90","","90","","1536.1","0.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H8 N2 Na O12 Sm -","- C8 H8 N2 Na O12 Sm -","- C32 H32 N8 Na4 O48 Sm4 -","4","0.5","","zhang, fengming; Yan, Pengfei; Li, Hongfeng; zou, xiaoyan; Hou, Guangfeng; li, guangming","Towards full-color-tunable emission of two component Eu(III)-doped Gd(III) coordination frameworks by variation of excitation light","Dalton Transactions","2014","","","","","10.1039/c4dt00837e","","","0.71073","MoKα","","0.0707","0.0653","","","0.178","0.1819","","","","","","1.119","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031026","15.306","0.003","6.726","0.0013","14.386","0.003","90","","90","","90","","1481","0.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H8 Eu N2 Na O12 -","- C8 H8 Eu N2 Na O12 -","- C32 H32 Eu4 N8 Na4 O48 -","4","0.5","","zhang, fengming; Yan, Pengfei; Li, Hongfeng; zou, xiaoyan; Hou, Guangfeng; li, guangming","Towards full-color-tunable emission of two component Eu(III)-doped Gd(III) coordination frameworks by variation of excitation light","Dalton Transactions","2014","","","","","10.1039/c4dt00837e","","","0.71073","MoKα","","0.0809","0.0695","","","0.1746","0.1856","","","","","","0.98","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031027","15.251","0.003","6.699","0.0013","14.382","0.003","90","","90","","90","","1469.4","0.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H8 Gd N2 Na O12 -","- C8 H8 Gd N2 Na O12 -","- C32 H32 Gd4 N8 Na4 O48 -","4","0.5","","zhang, fengming; Yan, Pengfei; Li, Hongfeng; zou, xiaoyan; Hou, Guangfeng; li, guangming","Towards full-color-tunable emission of two component Eu(III)-doped Gd(III) coordination frameworks by variation of excitation light","Dalton Transactions","2014","","","","","10.1039/c4dt00837e","","","0.71073","MoKα","","0.0922","0.0812","","","0.2114","0.2219","","","","","","1.091","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031028","15.147","0.003","6.6763","0.0013","14.375","0.003","90","","90","","90","","1453.7","0.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H8 N2 Na O12 Tb -","- C8 H8 N2 Na O12 Tb -","- C32 H32 N8 Na4 O48 Tb4 -","4","0.5","","zhang, fengming; Yan, Pengfei; Li, Hongfeng; zou, xiaoyan; Hou, Guangfeng; li, guangming","Towards full-color-tunable emission of two component Eu(III)-doped Gd(III) coordination frameworks by variation of excitation light","Dalton Transactions","2014","","","","","10.1039/c4dt00837e","","","0.71073","MoKα","","0.0774","0.07","","","0.1721","0.1786","","","","","","1.074","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031037","15.446","0.003","15.177","0.003","6.929","0.002","90","","90","","90","","1624.3","0.6","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H15 Ga N2 S2 -","- C17 H15 Ga N2 S2 -","- C68 H60 Ga4 N8 S8 -","4","0.5","","Dauer, David-R; Stalke, Dietmar","Heterocyclic substituted methanides as promising alternatives to the ubiquitous nacnac ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14432","14439","10.1039/c4dt01008f","","","0.56086","AgKα","","0.0265","0.0251","","","0.0596","0.0602","","","","","","1.268","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031702","9.8063","0.0006","15.1247","0.0009","9.8609","0.0006","90","","90","","90","","1462.54","0.15","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C0.5 H8.5 Cl Cu N2.5 O6 -","- C0.5 H7.5 Cl Cu N2.5 O6 -","- C4 H60 Cl8 Cu8 N20 O48 -","8","1","","Zhang, Xiao; Nishihara, Sadafumi; Nakano, Yuki; Yoshida, Erina; Kato, Chisato; Ren, Xiao-Ming; Maryunina, Kseniya Yu; Inoue, Katsuya","A magnetically isolated cuprate spin-ladder system: synthesis, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12974","","10.1039/c4dt01746c","","","0.71073","MoKα","","0.038","0.0285","","","0.0672","0.0713","","","","","","1.164","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031818","10.2021","0.0009","9.6547","0.0008","30.541","0.003","90","","90","","90","","3008.2","0.5","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C38 H26 Cl2 Zr -","- C38 H26 Cl2 Zr -","- C152 H104 Cl8 Zr4 -","4","0.5","","Morton, Jason G. M.; Al-Shammari, Haif; Sun, Yunshan; Zhu, Jiangtao; Stephan, Douglas W.","1,1-Olefin-bridged bis-(2-indenyl) metallocenes of titanium and zirconium.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13219","13231","10.1039/c4dt01583e","","","0.71073","MoKα","","0.0935","0.0623","","","0.1416","0.1525","","","","","","0.962","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031823","8.6369","0.0005","11.7633","0.0008","33.907","0.002","90","","90","","90","","3444.9","0.4","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C42 H41 Cl2 Zr -","- C39 H40.5 Cl2 Zr -","- C156 H162 Cl8 Zr4 -","4","0.5","","Morton, Jason G. M.; Al-Shammari, Haif; Sun, Yunshan; Zhu, Jiangtao; Stephan, Douglas W.","1,1-Olefin-bridged bis-(2-indenyl) metallocenes of titanium and zirconium.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13219","13231","10.1039/c4dt01583e","","","0.71073","MoKα","","0.1134","0.1008","","","0.2372","0.2457","","","","","","1.251","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031866","15.096","0.002","11.8371","0.0019","13.136","0.002","90","","90","","90","","2347.3","0.6","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C15 H29 F6 N P3 Rh -","- C15 H29 F6 N P3 Rh -","- C60 H116 F24 N4 P12 Rh4 -","4","0.5","","Rivers, Joseph H.; Jones, Richard A.","Synthesis and structures of mononuclear 3,4-bis(trifluoromethyl)pyrrolyl complexes of Rh(i) and Ni(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16275","16282","10.1039/c4dt01742k","","","0.71073","MoKα","","0.0711","0.0431","","","0.0958","0.1071","","","","","","1.044","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031946","9.97","0.003","10.599","0.004","13.562","0.004","90","","90","","90","","1433.1","0.8","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Trichlorobis(trimethylphosphine)aluminium(III)","","- C6 H18 Al Cl3 P2 -","- C6 H18 Al Cl3 P2 -","- C24 H72 Al4 Cl12 P8 -","4","0.5","","Burt, Jennifer; Levason, William; Light, Mark E.; Reid, Gillian","Phosphine complexes of aluminium(iii) halides - preparation and structural and spectroscopic systematics.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14600","14611","10.1039/c4dt02051k","","","0.71073","MoKα","","0.0881","0.0649","","","0.0867","0.091","","","","","","1.191","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7032130","13.892","0.0003","13.325","0.0004","7.5335","0.0002","90","","90","","90","","1394.53","0.06","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H12 I2 N4 Zn -","- C6 H12 I2 N4 Zn -","- C24 H48 I8 N16 Zn4 -","4","0.5","","Smirnov, Andrey S.; Butukhanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu","Novel (cyanamide)Zn(II) complexes and zinc(ii)-mediated hydration of the cyanamide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15798","15811","10.1039/c4dt01812e","","","0.71073","MoKα","","0.0168","0.0143","","","0.0309","0.0317","","","","","","1.112","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032540","6.1784","0.0008","12.9041","0.0017","19.866","0.003","90","","90","","90","","1583.9","0.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H18 Cl Cu N4 -","- C16 H18 Cl Cu N4 -","- C64 H72 Cl4 Cu4 N16 -","4","0.5","","Grzywa, Maciej; Geßner, Christof; Bredenkötter, Björn; Denysenko, Dmytro; van Leusen, Jan; Kögerler, Paul; Klemm, Elias; Volkmer, Dirk","Coordination frameworks assembled from Cu(II) ions and H2-1,3-bdpb ligands: X-ray and magneto structural investigations, and catalytic activity in the aerobic oxidation of tetralin.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16846","16856","10.1039/c4dt01880j","","","0.71073","MoKα","","0.053","0.044","","","0.1184","0.1243","","","","","","1.14","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032593","25.2004","0.0017","23.354","0.0014","15.302","0.0016","90","","90","","90","","9005.7","1.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C53 H126 Cr Mo6 N3 O27 -","- C53 H126.5 Cr Mo6 N3 O28 -","- C212 H506 Cr4 Mo24 N12 O112 -","4","0.5","","Zhang, Jiangwei; Zhao, Zhenlin; Zhang, Jin; She, Shan; Huang, Yichao; Wei, Yongge","Spontaneous resolution of polyoxometalate-based inorganic-organic hybrids driven by solvent and common ion.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17296","17302","10.1039/c4dt01954g","","","0.71073","MoKα","","0.0685","0.0547","","","0.1052","0.1295","","","","","","1.089","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032718","25.817","0.001","22.976","0.001","15.7552","0.0008","90","","90","","90","","9345.5","0.7","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C168 H38 Cl4 Ni2 P2 -","- C167.99 H30 Cl4 Ni2 P2 -","- C671.96 H120 Cl16 Ni8 P8 -","4","0.5","","Konarev, Dmitri V.; Troyanov, Sergey I.; Nakano, Yoshiaki; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Molecular structure and spectroscopic properties of a nickel-bridged {Ni(Ph3P)}2(μ2-η(2), η(2)-C60)2 dimer.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17920","17923","10.1039/c4dt02161d","","","0.87933","synchrotron","","0.0639","0.0591","","","0.1334","0.1384","","","","","","1.016","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032738","7.759","0.002","27.311","0.008","8.45","0.002","90","","90","","90","","1790.6","0.8","90","2","90","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C22 H21 I -","- C22 H21 I -","- C88 H84 I4 -","4","0.5","","Blundell, Toby J.; Hastings, Fiona R.; Gridley, Benjamin M.; Moxey, Graeme J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Ligand influences on homoleptic Group 12 m-terphenyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14257","14264","10.1039/c4dt00647j","","","0.71073","MoKα","","0.0417","0.0412","","","0.102","0.102","","","","","","1.5","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032785","22.3102","0.0012","10.539","0.0009","19.3846","0.0015","90","","90","","90","","4557.8","0.6","223","2","223","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C26 H34 B Cu4 N11 O S3 W -","- C26 H34 B Cu4 N11 O S3 W -","- C104 H136 B4 Cu16 N44 O4 S12 W4 -","4","0.5","","Liu, Quan; Ren, Zhi-Gang; Deng, Li; Zhang, Wen-Hua; Zhao, Xin; Sun, Zhen-Rong; Lang, Jian-Ping","Solvent effect-driven assembly of W/Cu/S cluster-based coordination polymers from the cluster precursor [Et4N][Tp*WS3(CuBr)3] and CuCN: isolation, structures and enhanced NLO responses.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","130","137","10.1039/c4dt02725f","","","0.71073","MoKα","","0.0956","0.0729","","","0.1755","0.1878","","","","","","1.048","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032786","29.866","0.006","10.387","0.002","13.906","0.003","90","","90","","90","","4313.9","1.5","223","2","223","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C21 H29 B Cu4 N10 O S3 W -","- C21 H29 B Cu4 N10 O S3 W -","- C84 H116 B4 Cu16 N40 O4 S12 W4 -","4","0.5","","Liu, Quan; Ren, Zhi-Gang; Deng, Li; Zhang, Wen-Hua; Zhao, Xin; Sun, Zhen-Rong; Lang, Jian-Ping","Solvent effect-driven assembly of W/Cu/S cluster-based coordination polymers from the cluster precursor [Et4N][Tp*WS3(CuBr)3] and CuCN: isolation, structures and enhanced NLO responses.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","130","137","10.1039/c4dt02725f","","","0.71073","MoKα","","0.0649","0.0518","","","0.1345","0.142","","","","","","1.152","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7033203","14.156","0.008","15.315","0.009","5.219","0.003","90","","90","","90","","1131.5","1.1","250","","250","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H2 Au N4 S4 -","- C8 H2 Au N4 S4 -","- C32 H8 Au4 N16 S16 -","4","0.5","","Fujita, Wataru","Ferromagnetic ordering in the organic radical cation salt BBDTA·Au(CN)2 at 8.2 K.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","903","907","10.1039/c4dt03208j","","","0.71075","MoKα","","","0.0255","","","","0.0585","","","","","","1.024","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033356","10.913","0.003","16.542","0.004","19.793","0.005","90","","90","","90","","3573.1","1.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H39 N3 O12.5 Tb -","- C34 H39 N3 O12.5 Tb -","- C136 H156 N12 O50 Tb4 -","4","0.5","","Wang, Yanlong; Xue, Zhenzhen; Sun, Zhihao; Tan, Chunhong; Wen, Yuehong; Hu, Shengmin; Zhu, Qilong; Sheng, Tianlu; Wu, Xintao","Insight into luminescence enhancement of coordinated water-containing lanthanide metal-organic frameworks by guest molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2217","2222","10.1039/c4dt02396j","","","0.71073","MoKα","","0.0931","0.0782","","","0.2161","0.2324","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033357","10.932","0.003","16.713","0.004","18.893","0.005","90","","90","","90","","3451.9","1.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H29 N O14.5 Tb -","- C24 H29 N O14.5 Tb -","- C96 H116 N4 O58 Tb4 -","4","0.5","","Wang, Yanlong; Xue, Zhenzhen; Sun, Zhihao; Tan, Chunhong; Wen, Yuehong; Hu, Shengmin; Zhu, Qilong; Sheng, Tianlu; Wu, Xintao","Insight into luminescence enhancement of coordinated water-containing lanthanide metal-organic frameworks by guest molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2217","2222","10.1039/c4dt02396j","","","0.71073","MoKα","","0.074","0.0711","","","0.2382","0.2437","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033358","10.902","0.009","16.715","0.012","19.201","0.015","90","","90","","90","","3499","5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H35 N3 O12.5 Tb -","- C30 H35 N3 O12.5 Tb -","- C120 H140 N12 O50 Tb4 -","4","0.5","","Wang, Yanlong; Xue, Zhenzhen; Sun, Zhihao; Tan, Chunhong; Wen, Yuehong; Hu, Shengmin; Zhu, Qilong; Sheng, Tianlu; Wu, Xintao","Insight into luminescence enhancement of coordinated water-containing lanthanide metal-organic frameworks by guest molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2217","2222","10.1039/c4dt02396j","","","0.71073","MoKα","","0.0908","0.0824","","","0.2408","0.2551","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033359","10.959","0.002","16.565","0.003","19.75","0.004","90","","90","","90","","3585.3","1.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H39 Eu N3 O12.5 -","- C34 H39 Eu N3 O12.5 -","- C136 H156 Eu4 N12 O50 -","4","0.5","","Wang, Yanlong; Xue, Zhenzhen; Sun, Zhihao; Tan, Chunhong; Wen, Yuehong; Hu, Shengmin; Zhu, Qilong; Sheng, Tianlu; Wu, Xintao","Insight into luminescence enhancement of coordinated water-containing lanthanide metal-organic frameworks by guest molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2217","2222","10.1039/c4dt02396j","","","0.71073","MoKα","","0.0823","0.0772","","","0.2048","0.2089","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033360","10.979","0.0004","16.6505","0.0007","19.3795","0.0007","90","","90","","90","","3542.7","0.2","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H35 Eu N3 O12.5 -","- C32 H39 Eu N3 O12.5 -","- C128 H156 Eu4 N12 O50 -","4","0.5","","Wang, Yanlong; Xue, Zhenzhen; Sun, Zhihao; Tan, Chunhong; Wen, Yuehong; Hu, Shengmin; Zhu, Qilong; Sheng, Tianlu; Wu, Xintao","Insight into luminescence enhancement of coordinated water-containing lanthanide metal-organic frameworks by guest molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2217","2222","10.1039/c4dt02396j","","","0.71073","MoKα","","0.039","0.0357","","","0.1016","0.1053","","","","","","0.993","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033361","11.048","0.003","16.702","0.004","18.739","0.005","90","","90","","90","","3457.8","1.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H29 Eu N O14.5 -","- C24 H29 Eu N O14.5 -","- C96 H116 Eu4 N4 O58 -","4","0.5","","Wang, Yanlong; Xue, Zhenzhen; Sun, Zhihao; Tan, Chunhong; Wen, Yuehong; Hu, Shengmin; Zhu, Qilong; Sheng, Tianlu; Wu, Xintao","Insight into luminescence enhancement of coordinated water-containing lanthanide metal-organic frameworks by guest molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2217","2222","10.1039/c4dt02396j","","","0.71073","MoKα","","0.067","0.0623","","","0.2081","0.2155","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033362","10.929","","16.586","","19.396","","90","","90","","90","","3515.88","","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H35 N3 O12.5 Tb -","- C32 H39 N3 O12.5 Tb -","- C128 H156 N12 O50 Tb4 -","4","0.5","","Wang, Yanlong; Xue, Zhenzhen; Sun, Zhihao; Tan, Chunhong; Wen, Yuehong; Hu, Shengmin; Zhu, Qilong; Sheng, Tianlu; Wu, Xintao","Insight into luminescence enhancement of coordinated water-containing lanthanide metal-organic frameworks by guest molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2217","2222","10.1039/c4dt02396j","","","0.71073","MoKα","","0.041","0.0392","","","0.1112","0.1131","","","","","","1.074","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033410","11.4313","0.0019","17.928","0.003","12.983","0.002","90","","90","","90","","2660.7","0.7","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H27 Cd N O12 -","- C27 H27 Cd N O12 -","- C108 H108 Cd4 N4 O48 -","4","0.5","","Wu, Yunlong; Yang, Guo-Ping; Zhao, Yanqing; Wu, Wei-Ping; Liu, Bo; Wang, Yao-Yu","Three new solvent-directed Cd(ii)-based MOFs with unique luminescent properties and highly selective sensors for Cu(2+) cations and nitrobenzene.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3271","3277","10.1039/c4dt03415e","","","0.71073","MoKα","","0.048","0.0415","","","0.1242","0.1314","","","","","","1.003","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033449","12.2905","0.0017","17.329","0.002","17.319","0.002","90","","90","","90","","3688.6","0.8","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H21 Cl4 Cu3 N23 O17 -","- C12 H21 Cl4 Cu3 N23 O17 -","- C48 H84 Cl16 Cu12 N92 O68 -","4","0.5","","Yang, En-Cui; Liu, Zhong-Yi; Chen, Si-Hang; Su, Yan-Hong; Zhang, Yan-Yan; Zhao, Xiao-Jun","Four linear Cu(II)3 subunit-based coordination polymers with various inter-subunit connections, spin ground-states and intra-/inter-subunit magnetic couplings.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3190","3199","10.1039/c4dt03741c","","","0.71073","MoKα","","0.0965","0.072","","","0.1772","0.1921","","","","","","1.031","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033807","10.45","0.002","9.5557","0.0019","13.278","0.003","90","","90","","90","","1325.9","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H7 Cd N5 S3 -","- C8 H5 Cd N5 S3 -","- C32 H20 Cd4 N20 S12 -","4","0.5","","Guo, Bing; Zhang, Xiao; Wang, Yan-Ning; Huang, Jing-Jing; Yu, Jie-Hui; Xu, Ji-Qing","New 1-D and 3-D thiocyanatocadmates modified by various amine molecules and Cl(-)/CH3COO(-) ions: synthesis, structural characterization, thermal behavior and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5095","5105","10.1039/c4dt03799e","","","0.71073","MoKα","","0.0376","0.0339","","","0.0778","0.0794","","","","","","1.112","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033921","16.888","0.003","19.798","0.003","10.2125","0.0015","90","","90","","90","","3414.5","0.9","100","1","100","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C35 H55 Ga N2 Te -","- C35 H55 Ga N2 Te -","- C140 H220 Ga4 N8 Te4 -","4","0.5","","Ganesamoorthy, Chelladurai; Bendt, Georg; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Te-Te and Te-C bond cleavage reactions using a monovalent gallanediyl.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5153","5159","10.1039/c5dt00172b","","","0.71073","MoKα","","0.0314","0.0225","","","0.0534","0.0578","","","","","","1.046","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033936","7.1076","0.0012","8.9737","0.0016","12.782","0.002","90","","90","","90","","815.3","0.2","292","2","292","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C10 H10 Ru -","- C10 H10 Ru -","- C40 H40 Ru4 -","4","0.5","","Miyamoto, Yasuhiro; Takamizawa, Satoshi","Deformation twinning of ferrocene crystals assisted by the rotational mobility of cyclopentadienyl rings.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5688","5691","10.1039/c4dt03922j","","","0.71073","MoKα","","0.0206","0.019","","","0.0452","0.0465","","","","","","1.165","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033992","19.7315","0.0014","20.5098","0.0016","7.4442","0.0006","90","","90","","90","","3012.6","0.4","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","(2-methyl-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholene)-tetracarbonyl-iron(0)","","- C31 H39 Fe N2 O4 P -","- C31 H39 Fe N2 O4 P -","- C124 H156 Fe4 N8 O16 P4 -","4","0.5","","Stadelmann, B.; Bender, J.; Förster, D; Frey, W.; Nieger, M.; Gudat, D.","An anionic phosphenium complex as an ambident nucleophile.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6023","6031","10.1039/c5dt00008d","","","1.54178","CuKα","","0.0331","0.0294","","","0.0809","0.0826","","","","","","1.061","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7034045","22.9414","0.0009","12.2109","0.0005","8.0965","0.0003","90","","90","","90","","2268.11","0.15","103","2","103","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H33 Al N2 -","- C24 H33 Al N2 -","- C96 H132 Al4 N8 -","4","0.5","","Wu M, Melissa; Gill, Arran M.; Yunpeng, Lu; Falivene, Laura; Yongxin, Li; Ganguly, Rakesh; Cavallo, Luigi; García, Felipe","Synthesis, structural studies and ligand influence on the stability of aryl-NHC stabilised trimethylaluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15166","15174","10.1039/c5dt00079c","","","0.71073","MoKα","","0.1098","0.0552","","","0.1339","0.1608","","","","","","0.971","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034188","17.4494","0.001","17.19","0.001","10.1596","0.0006","90","","90","","90","","3047.4","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C32 H41 Cl N3 O2 Rh -","- C32 H41 Cl N3 O2 Rh -","- C128 H164 Cl4 N12 O8 Rh4 -","4","0.5","","Palacios, Laura; Di Giuseppe, Andrea; Castarlenas, Ricardo; Lahoz, Fernando J.; Pérez-Torrente, Jesús J; Oro, Luis A.","Pyridine versus acetonitrile coordination in rhodium-N-heterocyclic carbene square-planar complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5777","5789","10.1039/c5dt00182j","","","0.71073","MoKα","","0.0781","0.0348","","","0.0715","0.0861","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7034227","19.382","0.002","14.234","0.002","9.515","0.001","90","","90","","90","","2625","0.5","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C15 H35 Cl4 Nb O5 Sn -","- C15 H35 Cl4 Nb O5 Sn -","- C60 H140 Cl16 Nb4 O20 Sn4 -","4","0.5","","Mishra, Shashank; Jeanneau, Erwann; Mangematin, Stéphane; Chermette, Henry; Poor Kalhor, Mahboubeh; Bonnefont, Guillaume; Fantozzi, Gilbert; Le Floch, Sylvie; Pailhes, Stéphane; Daniele, Stéphane","A convenient and quantitative route to Sn(iv)-M [M = Ti(iv), Nb(v), Ta(v)] heterobimetallic precursors for dense mixed-metal oxide ceramics.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6848","6862","10.1039/c5dt00339c","","","0.71069","MoKα","","0.0793","0.0349","","0.1069","0.0623","0.1069","","","","","","1.0476","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034417","34.017","0.0002","35.8002","0.0003","12.7295","0.0001","90","","90","","90","","15502.2","0.2","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C52 H45 Ir3 Mo2 O4 -","- C52 H45 Ir3 Mo2 O4 -","- C624 H540 Ir36 Mo24 O48 -","12","1.5","","Simpson, Peter V.; Randles, Michael D.; Gupta, Vivek; Fu, Junhong; Moxey, Graeme J.; Schwich, Torsten; Morshedi, Mahbod; Cifuentes, Marie P.; Humphrey, Mark G.","Phosphine, isocyanide, and alkyne reactivity at pentanuclear molybdenum/tungsten-iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7292","7304","10.1039/c5dt00525f","","","0.71073","MoKα","","0.0434","0.032","","","0.0822","0.0862","","","","","","1.028","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034421","14.5366","0.001","18.2023","0.0012","8.0806","0.0006","90","","90","","90","","2138.1","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H18 Cl2 N4 O5 Zn -","- C21 H18 Cl2 N4 O5 Zn -","- C84 H72 Cl8 N16 O20 Zn4 -","4","0.5","","Ou, Sha; Zheng, Jun-Ping; Kong, Guo-Qiang; Wu, Chuan-De","Designed synthesis of a series of zwitterion-polyoxometalate hybrid materials for selective scavenging and photolysis of dyes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7862","7869","10.1039/c5dt00577a","","","0.71073","MoKα","","0.1105","0.0758","","","0.1744","0.1961","","","","","","1.02","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034450","12.742","0.004","9.035","0.003","13.613","0.004","90","","90","","90","","1567.2","0.9","293","","293","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13 H15 F6 O2 P Ru -","- C13 H15 F6 O2 P Ru -","- C52 H60 F24 O8 P4 Ru4 -","4","0.5","","Komurasaki, Aina; Funasako, Yusuke; Mochida, Tomoyuki","Colorless organometallic ionic liquids from cationic ruthenium sandwich complexes: thermal properties, liquid properties, and crystal structures of [Ru(η(5)-C5H5)(η(6)-C6H5R)][X] (X = N(SO2CF3)2, N(SO2F)2, PF6).","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7595","7605","10.1039/c5dt00723b","","","0.71073","MoKα","","0.033","0.0307","","","0.0786","0.0803","","","","","","1.083","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034648","8.9461","0.0004","29.4146","0.0009","18.0171","0.0007","90","","90","","90","","4741.1","0.3","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H56 Cl2 Co2 N14 O9 -","- C36 H56 Cl2 Co2 N14 O9 -","- C144 H224 Cl8 Co8 N56 O36 -","4","0.5","","Caballero-Jiménez, Judith; Habib, Fatemah; Ramírez-Rosales, Daniel; Grande-Aztatzi, Rafael; Merino, Gabriel; Korobkov, Ilia; Singh, Mukesh Kumar; Rajaraman, Gopalan; Reyes-Ortega, Yasmi; Murugesu, Muralee","Inducing magnetic communication in caged dinuclear Co(ii) systems.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8649","8659","10.1039/c5dt00497g","","","0.71073","MoKα","","0.1368","0.113","","","0.2937","0.3113","","","","","","1.12","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034777","12.053","0.002","22.006","0.004","10.47","0.002","90","","90","","90","","2777","0.9","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H40 Cl2 N2 Sn -","- C27 H40 Cl2 N2 Sn -","- C108 H160 Cl8 N8 Sn4 -","4","0.5","","Mansell, S. M.; Russell, C. A.; Wass, D. F.","Synthesis of chelating diamido Sn(iv) compounds from oxidation of Sn(ii) and directly from Sn(iv) precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9756","9765","10.1039/c5dt01022e","","","0.71073","MoKα","","0.0259","0.0235","","","0.06","0.0607","","","","","","1.432","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034819","13.43","0.003","18.758","0.002","8.31","0.006","90","","90","","90","","2093.5","1.6","198","2","198","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H14 Br2 Cl4 N4 Pd -","- C16 H14 Br2 Cl4 N4 Pd -","- C64 H56 Br8 Cl16 N16 Pd4 -","4","0.5","","Pinter, Piermaria; Biffis, Andrea; Tubaro, Cristina; Tenne, Mario; Kaliner, Maria; Strassner, Thomas","Palladium(ii) complexes with electron-poor, 4,5-disubstituted diimidazol-2-ylidene ligands: synthesis, characterization and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9391","9399","10.1039/c5dt01067e","","","0.71073","MoKα","","0.0472","0.0299","","","0.0608","0.0659","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034854","31.6368","0.0016","21.6435","0.0012","9.1291","0.0004","90","","90","","90","","6251","0.5","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","4c in manuscript","","","- C31 H54 Ni O2 P2 -","- C31 H54 Ni O2 P2 -","- C248 H432 Ni8 O16 P16 -","8","1","","Jevtovikj, Ivana; Manzini, Simone; Hanauer, Matthias; Rominger, Frank; Schaub, Thomas","Investigations on the catalytic carboxylation of olefins with CO2 towards α,β-unsaturated carboxylic acid salts: characterization of intermediates and ligands as well as substrate effects.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11083","11094","10.1039/c5dt01040c","","","0.71073","MoKα","","0.1209","0.0765","","","0.1733","0.1969","","","","","","1.08","","","","has coordinates,has disorder","143592","2020-10-21","18:00:00",""
"7034957","13.7473","0.0004","7.1687","0.0002","14.4831","0.0003","90","","90","","90","","1427.31","0.06","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H8 Cl2 Fe N5 S -","- C12 H8 Cl2 Fe N5 S -","- C48 H32 Cl8 Fe4 N20 S4 -","4","0.5","","Harriman, Katie L. M.; Leitch, Alicea A.; Stoian, Sebastian A.; Habib, Fatemah; Kneebone, Jared L.; Gorelsky, Serge I.; Korobkov, Ilia; Desgreniers, Serge; Neidig, Michael L.; Hill, Stephen; Murugesu, Muralee; Brusso, Jaclyn L.","Ambivalent binding between a radical-based pincer ligand and iron.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10516","10523","10.1039/c5dt01374g","","","0.71073","MoKα","","0.0218","0.0206","","","0.0579","0.059","","","","","","1.066","","","","has coordinates","138602","2020-10-21","18:00:00",""
"7035198","17.748","0.002","14.432","0.002","17.585","0.002","90","","90","","90","","4504.2","1","123","","123","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H37 F24 N15 P4 -","- C30 H37 F24 N15 P4 -","- C120 H148 F96 N60 P16 -","4","0.5","","Altmann, Philipp J.; Jandl, Christian; Pöthig, Alexander","Introducing a pyrazole/imidazole based hybrid cyclophane: a hydrogen bond sensor and binucleating ligand precursor.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11278","11281","10.1039/c5dt01775k","","x-ray","0.71073","MoKα","","0.0558","0.0484","","","0.13","0.136","","","","","","1.057","","","","has coordinates","143547","2020-10-21","18:00:00",""
"7035342","32.532","0.003","21.8874","0.0016","12.3247","0.0009","90","","90","","90","","8775.7","1.2","298","2","298","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C10 H32 Cu2 Mo18 N6 O79 P6 Sr -","- C10 H32 Cu2 Mo18 N6 O79 P6 Sr -","- C40 H128 Cu8 Mo72 N24 O316 P24 Sr4 -","4","0.5","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Sun, Di; Zhou, Bai-Bin","Assembly of a basket-like {Sr ⊂ P6Mo18O73} cage from 0D dimmer to 2D network and its photo-/electro-catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12839","12851","10.1039/c5dt01480h","","","0.71073","MoKα","","0.0867","0.0608","","","0.1043","0.1118","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035364","17.4749","0.0008","10.041","0.0004","7.7635","0.0003","90","","90","","90","","1362.23","0.1","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","alonf1","","","- C13 H17 Al F N O -","- C13 H17 Al F N O -","- C52 H68 Al4 F4 N4 O4 -","4","0.5","","Tseng, Hsi-Ching; Chiang, Michael Y.; Lu, Wei-Yi; Chen, Yen-Jen; Lian, Cheng-Jie; Chen, Yu-Hsieh; Tsai, Hsin-Yi; Lai, Yi-Chun; Chen, Hsuan-Ying","A closer look at ε-caprolactone polymerization catalyzed by alkyl aluminum complexes: the effect of induction period on overall catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11763","11773","10.1039/c5dt01563d","","","0.71073","MoKα","","0.0646","0.0541","","","0.1659","0.177","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035366","24.0703","0.0008","7.3632","0.0003","7.6135","0.0003","90","","90","","90","","1349.37","0.09","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","alonpry","","","- C13 H19 Al N2 O -","- C13 H19 Al N2 O -","- C52 H76 Al4 N8 O4 -","4","0.5","","Tseng, Hsi-Ching; Chiang, Michael Y.; Lu, Wei-Yi; Chen, Yen-Jen; Lian, Cheng-Jie; Chen, Yu-Hsieh; Tsai, Hsin-Yi; Lai, Yi-Chun; Chen, Hsuan-Ying","A closer look at ε-caprolactone polymerization catalyzed by alkyl aluminum complexes: the effect of induction period on overall catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11763","11773","10.1039/c5dt01563d","","","0.71073","MoKα","","0.0609","0.0569","","","0.1651","0.1676","","","","","","1.087","","","","has coordinates","143496","2020-10-21","18:00:00",""
"7035404","31.843","0.004","6.9564","0.0012","10.3257","0.0019","90","","90","","90","","2287.3","0.6","200","","200","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H30 N4 Ni S2 -","- C20 H33.532 N4 Ni S2 -","- C80 H134.128 N16 Ni4 S8 -","4","0.5","","Kochem, Amélie; Gellon, Gisèle; Jarjayes, Olivier; Philouze, Christian; du Moulinet d'Hardemare, Amaury; van Gastel, Maurice; Thomas, Fabrice","Nickel(ii) radical complexes of thiosemicarbazone ligands appended by salicylidene, aminophenol and aminothiophenol moieties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12743","12756","10.1039/c5dt00944h","","x-ray","0.71073","MoKα","","0.0666","0.0439","","","0.1089","0.1196","","","","","","1.047","","","","has coordinates,has disorder","143689","2020-10-21","18:00:00",""
"7035512","16.9427","0.0009","19.9103","0.001","6.8692","0.0004","90","","90","","90","","2317.2","0.2","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H25 B Cl4 Cu N3 -","- C20 H22 B Cl4 Cu N3 -","- C80 H88 B4 Cl16 Cu4 N12 -","4","0.5","","Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R.","Bis(σ-B-H) complexes of copper(i): precursors to a heterogeneous amine-borane dehydrogenation catalyst.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12530","12534","10.1039/c5dt02144h","","","1.54184","CuKα","","0.0545","0.044","","","0.1103","0.1181","","","","","","1.086","","","","has coordinates,has disorder","143700","2020-10-21","18:00:00",""
"7035586","11.8631","0.0006","20.2676","0.0009","10.9214","0.0005","90","","90","","90","","2625.9","0.2","173","2","173","","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3-bis(2,6-diisopropylphenyl)-2-phosphanylideneimidazolidine","","- C27 H39 N2 P -","- C27 H39 N2 P -","- C108 H156 N8 P4 -","4","0.5","","Bispinghoff, Mark; Tondreau, Aaron M.; Grützmacher, Hansjörg; Faradji, Charly A.; Pringle, Paul G.","Carbene insertion into a P-H bond: parent phosphinidene-carbene adducts from PH3 and bis(phosphinidene)mercury complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5999","6003","10.1039/c5dt01741f","","","0.71073","MoKα","","0.0645","0.0476","","","0.1236","0.1364","","","","","","1.021","","","","has coordinates","181713","2020-10-21","18:00:00",""
"7035623","15.2475","0.0009","14.3291","0.0008","7.632","0.0005","90","","90","","90","","1667.46","0.17","198.15","","198.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 F6 Ir O -","- C14 F6 Ir O -","- C56 F24 Ir4 O4 -","4","0.5","","Yuan, Jian; Hughes, Russell P.; Rheingold, Arnold L.","A (pentafluoroethyl)(trifluoromethyl)carbene complex of iridium and reductive activation of its sp(3)α, β, and γ carbon-fluorine bonds to give perfluoro-2-butyne, perfluoro-1,2,3-butatriene and perfluoro-1-irida-2-methyl-2-cyclobutene) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19518","19527","10.1039/c5dt02075a","","","0.71073","MoKα","","0.0408","0.0386","","","0.1106","0.1116","","","","","","1.172","","","","has coordinates","171163","2020-10-21","18:00:00",""
"7035641","12.542","0.002","21.514","0.004","10.581","0.002","90","","90","","90","","2855.1","0.9","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H40 Al Cl2 N2 -","- C28 H40 Al Cl2 N2 -","- C112 H160 Al4 Cl8 N8 -","4","0.5","","Zhao, Yanxia; Liu, Yanyan; Wu, Biao; Yang, Xiao-Juan","Reactions of α-diimine-aluminum complexes with sodium alkynides: versatile structures of aluminum σ-alkynide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13671","13680","10.1039/c5dt01693b","","","0.71073","MoKα","","0.107","0.0491","","","0.1127","0.143","","","","","","1.015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035757","17.7751","0.0013","21.1737","0.0016","10.5846","0.0008","90","","90","","90","","3983.7","0.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H60 Ru Si2 Sn -","- C40 H60 Ru Si2 Sn -","- C160 H240 Ru4 Si8 Sn4 -","4","0.5","","Kuwabara, T.; Nakada, M.; Guo, J. D.; Nagase, S.; Saito, M.","Diverse coordination modes in tin analogues of a cyclopentadienyl anion depending on the substituents on the tin atom.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16266","16271","10.1039/c5dt02202a","","","0.71073","MoKα","","0.0507","0.0497","","","0.1221","0.1228","","","","","","1.176","","","","has coordinates","161533","2020-10-21","18:00:00",""
"7035794","12.7415","0.0002","15.3365","0.0003","9.38167","0.00015","90","","90","","90","","1833.27","0.05","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H9 Au2 Br6 N3 -","- C10 H9 Au2 Br6 N3 -","- C40 H36 Au8 Br24 N12 -","4","0.5","","Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti","Weak aurophilic interactions in a series of Au(iii) double salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14523","14531","10.1039/c4dt03167a","","","0.71073","MoKα","","0.0283","0.0206","","","0.0379","0.0398","","","","","","0.996","","","","has coordinates","153220","2020-10-21","18:00:00",""
"7035909","18.596","0.006","10.887","0.003","8.594","0.003","90","","90","","90","","1739.9","1","208.15","","208.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H15 F6 Ir O -","- C18 H15 F6 Ir O -","- C72 H60 F24 Ir4 O4 -","4","0.5","","Yuan, Jian; Bourgeois, Cheryl J.; Rheingold, Arnold L.; Hughes, Russell P.","Synthesis, structure, and reactivity of iridium perfluorocarbene complexes: regio- and stereo-specific addition of HCl across a metal carbon double bond.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19528","19542","10.1039/c5dt02275d","","","0.71073","MoKα","","0.0239","0.0215","","","0.0559","0.0573","","","","","","1.07","","","","has coordinates","171172","2020-10-21","18:00:00",""
"7036131","12.831","0.004","4.3239","0.0013","10.846","0.003","90","","90","","90","","601.7","0.3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Trimethyltin fluoride","","- C3 H9 F Sn -","- C3 H9 F Sn -","- C12 H36 F4 Sn4 -","4","0.5","","Chaudhary, Praveen; Bieringer, Mario; Hazendonk, Paul; Gerken, Michael","The structure of trimethyltin fluoride.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19651","19658","10.1039/c5dt01994j","","","0.71073","MoKα","","0.0469","0.0423","","","0.113","0.1155","","","","","","1.153","","","","has coordinates","171164","2020-10-21","18:00:00",""
"7036239","14.226","0.003","17.792","0.004","6.762","0.0013","90","","90","","90","","1711.5","0.6","140","1","140","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C17 H30 O Sn -","- C17 H30 O Sn -","- C68 H120 O4 Sn4 -","4","0.5","","Lichtscheidl, Alejandro G.; Janicke, Michael T.; Scott, Brian L.; Nelson, Andrew T.; Kiplinger, Jaqueline L.","Syntheses, structures, and (1)H, (13)C{(1)H} and (119)Sn{(1)H} NMR chemical shifts of a family of trimethyltin alkoxide, amide, halide and cyclopentadienyl compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16156","16163","10.1039/c5dt01980j","","","0.71073","MoKα","","0.0139","0.0132","","","0.034","0.0344","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036267","16.6462","0.0005","16.1627","0.0005","9.3673","0.0003","90","","90","","90","","2520.25","0.14","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H12 Cu2 Fe3 N4 O9 Te -","- C18 H12 Cu2 Fe3 N4 O9 Te -","- C72 H48 Cu8 Fe12 N16 O36 Te4 -","4","0.5","","Lin, Chien-Nan; Huang, Chung-Yi; Yu, Chia-Chi; Chen, Yen-Ming; Ke, Wei-Ming; Wang, Guan-Jung; Lee, Gon-Ann; Shieh, Minghuey","Iron carbonyl cluster-incorporated Cu(i) NHC complexes in homocoupling of arylboronic acids: an effective [TeFe3(CO)9](2-) ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16675","16679","10.1039/c5dt03242c","","","0.71073","MoKα","","0.0338","0.0204","","","0.0657","0.1007","","","","","","1.333","","","","has coordinates","161116","2020-10-21","18:00:00",""
"7036311","16.8938","0.0014","11.8801","0.0009","21.7865","0.0018","90","","90","","90","","4372.6","0.6","93","","93","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C33 H39 Cl11 Ir2 S2 -","- C33 H12 Cl11 Ir2 S2 -","- C132 H48 Cl44 Ir8 S8 -","4","0.5","","Nejman, Phillip S.; Morton-Fernandez, Brian; Moulding, David J.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Kilian, Petr; Woollins, J. Derek","Structural diversity of bimetallic rhodium and iridium half sandwich dithiolato complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16758","16766","10.1039/c5dt02542g","","","0.71075","MoKα","","0.0919","0.0916","","","0.2458","0.2747","","","","","","1.098","","","","has coordinates","161117","2020-10-21","18:00:00",""
"7036324","26.7411","0.0007","13.5063","0.0004","12.5618","0.0003","90","","90","","90","","4537","0.2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H65 Cl3 Ga P4 -","- C36 H58 Cl3 Ga P4 -","- C144 H232 Cl12 Ga4 P16 -","4","0.5","","Bresien, Jonas; Faust, Kirill; Hering-Junghans, Christian; Rothe, Julia; Schulz, Axel; Villinger, Alexander","Synthetic strategies to bicyclic tetraphosphanes using P1, P2 and P4 building blocks.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1998","2007","10.1039/c5dt02757h","","","0.71073","MoKα","","0.0637","0.0512","","","0.1301","0.1357","","","","","","1.063","","","","has coordinates,has disorder","176073","2020-10-21","18:00:00",""
"7036376","16.5015","0.0004","19.3631","0.0005","8.2474","0.0002","90","","90","","90","","2635.21","0.11","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H34 Cl6 N4 Pd -","- C17 H34 Cl6 N4 Pd -","- C68 H136 Cl24 N16 Pd4 -","4","0.5","","Bogojeski, Jovana; Volbeda, Jeroen; Freytag, Matthias; Tamm, Matthias; Bugarčić, Živadin D","Palladium(ii) complexes with highly basic imidazolin-2-imines and their reactivity toward small bio-molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17346","17359","10.1039/c5dt02307f","","","1.54184","CuKα","","0.0262","0.0246","","","0.0601","0.0612","","","","","","1.073","","","","has coordinates,has disorder","161217","2020-10-21","18:00:00",""
"7036584","14.2045","0.0018","27.355","0.004","23.153","0.003","90","","90","","90","","8996","2","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C66 H118 N4 S6 Si4 Sn4 -","- C66 H118 N4 S6 Si4 Sn4 -","- C264 H472 N16 S24 Si16 Sn16 -","4","0.5","","Zhong, Mingdong; Yang, Zhi; Yi, Yafei; Zhang, Dongxiang; Sun, Kening; Roesky, Herbert W.; Yang, Ying","Tin sulfide and selenide clusters soluble in organic solvents with the core structures of Sn4S6 and Sn4Se6.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19800","19804","10.1039/c5dt03244j","","","0.71073","MoKα","","0.0651","0.062","","","0.1637","0.167","","","","","","1","","","","has coordinates","171135","2020-10-21","18:00:00",""
"7036735","8.8367","0.0002","9.9431","0.0002","17.1843","0.0004","90","","90","","90","","1509.88","0.06","133","2","133","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H8 Fe2 O6 Se2 -","- C10 H8 Fe2 O6 Se2 -","- C40 H32 Fe8 O24 Se8 -","4","0.5","","Trautwein, Ralf; Almazahreh, Laith R.; Görls, Helmar; Weigand, Wolfgang","Steric effect of the dithiolato linker on the reduction mechanism of [Fe2(CO)6{μ-(XCH2)2CRR'}] hydrogenase models (X = S, Se).","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18780","18794","10.1039/c5dt01387a","","","0.71073","MoKα","","0.0261","0.0249","","","0.0614","0.0622","","","","","","1.085","","","","has coordinates","171233","2020-10-21","18:00:00",""
"7036736","9.1208","0.0004","10.1728","0.0005","51.123","0.003","90","","90","","90","","4743.4","0.4","133","2","133","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H10 Fe2 O6 Se2 -","- C11 H10 Fe2 O6 Se2 -","- C132 H120 Fe24 O72 Se24 -","12","1.5","","Trautwein, Ralf; Almazahreh, Laith R.; Görls, Helmar; Weigand, Wolfgang","Steric effect of the dithiolato linker on the reduction mechanism of [Fe2(CO)6{μ-(XCH2)2CRR'}] hydrogenase models (X = S, Se).","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18780","18794","10.1039/c5dt01387a","","","0.71073","MoKα","","0.0444","0.0365","","","0.0698","0.0735","","","","","","1.227","","","","has coordinates","171233","2020-10-21","18:00:00",""
"7036793","15.0212","0.0004","12.3025","0.0004","12.4828","0.0003","90","","90","","90","","2306.8","0.11","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H17 Cl4 N4 O3 Re -","- C19 H17 Cl4 N4 O3 Re -","- C76 H68 Cl16 N16 O12 Re4 -","4","0.5","","Chan, Chung Ying; Barnard, Peter J.","Rhenium complexes of bidentate, bis-bidentate and tridentate N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19126","19140","10.1039/c5dt03295d","","","0.71073","MoKα","","0.0268","0.0236","","","0.0555","0.058","","","","","","1.044","","","","has coordinates","171207","2020-10-21","18:00:00",""
"7036959","13.5","0.03","7.851","0.015","6.366","0.012","90","","90","","90","","675","2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge Mg2 Se4 -","- Ge Mg2 Se4 -","- Ge4 Mg8 Se16 -","4","0.5","","Wu, Kui; Su, Xin; Yang, Zhihua; Pan, Shilie","An investigation of new infrared nonlinear optical material: BaCdSnSe4, and three new related centrosymmetric compounds: Ba2SnSe4, Mg2GeSe4, and Ba2Ge2S6.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19856","19864","10.1039/c5dt03215f","","","0.71073","MoKα","","0.0556","0.033","","","0.052","0.0556","","","","","","0.98","","","","has coordinates","171118","2020-10-21","18:00:00",""
"7036978","12.0281","0.0014","7.7753","0.0009","11.5619","0.0013","90","","90","","90","","1081.3","0.2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H14 I N S -","- C8 H14 I N S -","- C32 H56 I4 N4 S4 -","4","0.5","","Binder, Justin F.; Corrente, Andrea M.; Macdonald, Charles L. B.","A simple route to phosphamethine cyanines from S,N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2138","2147","10.1039/c5dt03019f","","","0.71073","MoKα","","0.0291","0.0254","","","0.0521","0.0539","","","","","","1.115","","","","has coordinates","176081","2020-10-21","18:00:00",""
"7037109","12.27369","0.00016","12.65803","0.00014","20.9347","0.0003","90","","90","","90","","3252.43","0.07","110","1","110","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H34 Cu I4 N9 -","- C23 H34 Cu I4 N9 -","- C92 H136 Cu4 I16 N36 -","4","0.5","","Ziesak, Alexandra; Wesp, Tobias; Hübner, Olaf; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Counter-ligand control of the electronic structure in dinuclear copper-tetrakisguanidine complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19111","19125","10.1039/c5dt03270a","","x-ray","1.5418","CuKα","","0.0684","0.0659","","","0.174","0.1768","","","","","","1.06","","","","has coordinates","170199","2020-10-21","18:00:00",""
"7037296","9.7104","0.0005","19.1394","0.0011","18.2255","0.001","90","","90","","90","","3387.2","0.3","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C33 H44 Cl2 N2 Ru Si -","- C33 H44 Cl2 N2 Ru Si -","- C132 H176 Cl8 N8 Ru4 Si4 -","4","0.5","","Mai, Van Hung; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Korobkov, Ilia; Howard, Judith A. K.; Nikonov, Georgii I.","NHC carbene supported half-sandwich hydridosilyl complexes of ruthenium: the impact of supporting ligands on SiH interligand interactions.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","208","215","10.1039/c5dt04067a","","","0.71073","MoKα","","0.0401","0.0339","","","0.0746","0.079","","","","","","1.031","","","","has coordinates","176118","2020-10-21","18:00:00",""
"7037491","20.3535","0.0004","12.3267","0.0003","10.8623","0.0002","90","","90","","90","","2725.26","0.1","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H52 N3 Na Zn -","- C23 H52 N3 Na Zn -","- C92 H208 N12 Na4 Zn4 -","4","0.5","","Francos, Javier; Kennedy, Alan R.; O'Hara, Charles T","Synthetic and reactivity studies of hetero-tri-anionic sodium zincates.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6222","6233","10.1039/c5dt04329h","","","0.71073","MoKα","","0.0417","0.0275","","","0.06","0.0631","","","","","","1.033","","","","has coordinates,has disorder","181712","2020-10-21","18:00:00",""
"7037493","20.682","0.0008","13.2093","0.0005","10.5957","0.0005","90","","90","","90","","2894.7","0.2","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H52 N3 Na Si2 Zn -","- C20 H52 N3 Na Si2 Zn -","- C80 H208 N12 Na4 Si8 Zn4 -","4","0.5","","Francos, Javier; Kennedy, Alan R.; O'Hara, Charles T","Synthetic and reactivity studies of hetero-tri-anionic sodium zincates.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6222","6233","10.1039/c5dt04329h","","","1.54184","CuKα","","0.0518","0.0408","","","0.0897","0.0949","","","","","","1.113","","","","has coordinates,has disorder","181712","2020-10-21","18:00:00",""
"7037565","20.2271","0.0003","19.835","0.0002","14.1997","0.0002","90","","90","","90","","5696.98","0.13","200","","200","","","","","","","","local","6","P n m a","-P 2ac 2n","62","","","","- C56 H72 Cl3 N2 Os P3 -","- C56 H72 Cl3 N2 Os P3 -","- C224 H288 Cl12 N8 Os4 P12 -","4","0.5","","McQueen, Caitlin M. A.; Hill, Anthony F.; Ma, Chenxi; Ward, Jas S.","Ruthenium and osmium complexes of dihydroperimidine-based N-heterocyclic carbene pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20376","20385","10.1039/c5dt03728j","","","0.71073","MoKα","","0.0717","0.0582","","0.1563","0.1507","0.1563","","","","","","1.0624","","","","has coordinates","170872","2020-10-21","18:00:00",""
"7037798","8.2583","0.0004","6.0512","0.0003","12.0063","0.0006","90","","90","","90","","599.99","0.05","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cu3 H4 O8 S -","- Cu3 H4 O8 S -","- Cu12 H16 O32 S4 -","4","0.5","","Song, Jiang-Feng; Li, Yang; Zhou, Rui-Sha; Hu, Tuo-Ping; Wen, Yan-Liang; Shao, Jia; Cui, Xiao-Bing","A novel 3D Cu(i) coordination polymer based on Cu6Br2 and Cu2(CN)2 SBUs: in situ ligand formation and use as a naked-eye colorimetric sensor for NB and 2-NT.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","545","551","10.1039/c5dt03656a","","","0.71073","MoKα","","0.0229","0.0176","","","0.0419","0.0437","","","","","","1.115","","","","has coordinates","171871","2020-10-21","18:00:00",""
"7037866","11.6676","0.0005","7.6993","0.0007","13.2534","0.0009","90","","90","","90","","1190.58","0.14","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H13 I N2 Se -","- C10 H12.5 I N2 Se -","- C40 H50 I4 N8 Se4 -","4","0.5","","Lee, Lucia M.; Corless, Victoria B.; Tran, Michael; Jenkins, Hilary; Britten, James F.; Vargas-Baca, Ignacio","Synthetic, structural, and computational investigations of N-alkyl benzo-2,1,3-selenadiazolium iodides and their supramolecular aggregates.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3285","3293","10.1039/c5dt04314j","","","0.71073","MoKα","","0.0413","0.0331","","","0.0828","0.0847","","","","","","1.011","","","","has coordinates,has disorder","177825","2020-10-21","18:00:00",""
"7037974","11.409","0.004","16.464","0.005","10.356","0.003","90","","90","","90","","1945.2","1.1","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H26 B10 N2 O2 -","- C14 H26 B10 N2 O2 -","- C56 H104 B40 N8 O8 -","4","0.5","","Powley, Samuel L.; Schaefer, Louise; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Developing nitrosocarborane chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3635","3647","10.1039/c5dt04831a","","","0.71073","MoKα","","0.0681","0.0436","","","0.0984","0.1092","","","","","","1.039","","","","has coordinates","177824","2020-10-21","18:00:00",""
"7038099","6.5175","0.0005","12.6141","0.001","6.7628","0.0005","90","","90","","90","","555.99","0.07","300","2","300","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Mo3 Sc2 Si4 -","- Mo3 Sc2 Si4 -","- Mo12 Sc8 Si16 -","4","0.5","","Nielsen, Morten B.; Xie, Weiwei; Cava, Robert J.","Ternary rare earth silicides RE2M3Si4 (RE = Sc, Y, Lu; M = Mo, W): crystal structure, coloring and electronic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3771","3777","10.1039/c5dt03976b","","","0.71073","MoKα","","0.0217","0.0204","","","0.0572","0.0581","","","","","","1.172","","","","has coordinates","177864","2020-10-21","18:00:00",""
"7038100","6.5357","0.0004","12.6408","0.0008","6.7743","0.0004","90","","90","","90","","559.67","0.06","300","2","300","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Sc2.07 Si4 W2.93 -","- Sc2.0658 Si4 W2.9342 -","- Sc8.2632 Si16 W11.7368 -","4","0.5","","Nielsen, Morten B.; Xie, Weiwei; Cava, Robert J.","Ternary rare earth silicides RE2M3Si4 (RE = Sc, Y, Lu; M = Mo, W): crystal structure, coloring and electronic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3771","3777","10.1039/c5dt03976b","","","0.71073","MoKα","","0.0232","0.0187","","","0.0371","0.038","","","","","","1.138","","","","has coordinates","177864","2020-10-21","18:00:00",""
"7038101","6.6451","0.0003","12.7818","0.0006","6.8725","0.0003","90","","90","","90","","583.72","0.05","300","2","300","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Lu2 Mo3 Si4 -","- Lu2 Mo3 Si4 -","- Lu8 Mo12 Si16 -","4","0.5","","Nielsen, Morten B.; Xie, Weiwei; Cava, Robert J.","Ternary rare earth silicides RE2M3Si4 (RE = Sc, Y, Lu; M = Mo, W): crystal structure, coloring and electronic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3771","3777","10.1039/c5dt03976b","","","0.71073","MoKα","","0.03","0.0196","","","0.0411","0.0428","","","","","","0.999","","","","has coordinates","177864","2020-10-21","18:00:00",""
"7038127","13.896","0.0003","20.099","0.0004","9.01231","0.00014","90","","90","","90","","2517.1","0.08","120","1","120","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H35 Cl2 N2 P Ti -","- C24 H35 Cl2 N2 P Ti -","- C96 H140 Cl8 N8 P4 Ti4 -","4","0.5","","Batke, S.; Kothe, T.; Haas, M.; Wadepohl, H.; Ballmann, J.","Diamidophosphines with six-membered chelates and their coordination chemistry with group 4 metals: development of a trimethylene-methane-tethered [PN2]-type ""molecular claw"".","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3528","3540","10.1039/c5dt04911c","","x-ray","1.54184","CuKα","","0.0988","0.089","","","0.1901","0.1932","","","","","","1.328","","","","has coordinates","177848","2020-10-21","18:00:00",""
"7038137","22.5266","0.0005","19.5714","0.0004","11.2097","0.0002","90","","90","","90","","4942.1","0.17","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H46 Mo12 N6 O40 P -","- C12 H46 Mo12 N6 O40 P -","- C48 H184 Mo48 N24 O160 P4 -","4","0.5","","Jin, Xiang-Xiao; Yu, Wei-Dong; Nie, Yan-Mei; Liu, Meng-Shu; Yan, Jun","Synthesis and characterization of [(HPO3)6Mo21O60(H2O)4](8-): a new redox active heteropoly blue cluster with layered shape containing a phosphite template that self-assembles under controlled microwave irradiation.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3268","3271","10.1039/c5dt04977f","","","0.71073","MoKα","","0.0725","0.0554","","","0.13","0.1485","","","","","","1.205","","","","has coordinates","177840","2020-10-21","18:00:00",""
"7038474","18.1122","0.0004","35.0113","0.0008","13.3447","0.0003","90","","90","","90","","8462.3","0.3","173","","173","","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C43.5 H40 B Cl3 F4 N O3 P3 W -","- C42 H37 B F4 N O3 P3 W -","- C336 H296 B8 F32 N8 O24 P24 W8 -","8","1","","Phanopoulos, Andreas; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W.","Insight into the stereoelectronic parameters of N-triphos ligands via coordination to tungsten(0).","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5536","5548","10.1039/c6dt00170j","","","0.71073","MoKα","","0.0961","0.0761","","","0.1602","0.1669","","","","","","1.139","","","","has coordinates,has disorder","181643","2020-10-21","18:00:00",""
"7038767","14.8278","0.0007","6.9438","0.0004","17.7673","0.0009","90","","90","","90","","1829.34","0.16","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C16 H14 F6 N3 Ni P S -","- C16 H14 F6 N3 Ni P S -","- C64 H56 F24 N12 Ni4 P4 S4 -","4","0.5","","Teo, Wei Jie; Wang, Zhe; Xue, Fei; Andy Hor, T. S.; Zhao, Jin","Cyclopentadienyl nickel(ii) N,C-chelating benzothiazolyl NHC complexes: synthesis, characterization and application in catalytic C-C bond formation reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7312","7319","10.1039/c6dt00252h","","","0.71073","MoKα","","0.0437","0.0284","","","0.0601","0.0645","","","","","","1.048","","","","has coordinates","182741","2020-10-21","18:00:00",""
"7038807","11.105","0.002","16.481","0.003","10.701","0.002","90","","90","","90","","1958.5","0.6","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H21 F6 N2 Ta -","- C19 H21 F6 N2 Ta -","- C76 H84 F24 N8 Ta4 -","4","0.5","","Bortoluzzi, Marco; Ferretti, Eleonora; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Coordination complexes of niobium and tantalum pentahalides with a bulky NHC ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6939","6948","10.1039/c6dt00533k","","","0.71073","MoKα","","0.0348","0.0238","","","0.0499","0.0549","","","","","","1.044","","","","has coordinates","182725","2020-10-21","18:00:00",""
"7038902","26.7651","0.001","19.1607","0.001","31.6947","0.0012","90","","90","","90","","16254.2","1.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C108 H136 Eu6 N18 O58 Zn6 -","- C108 H136 Eu6 N18 O58 Zn6 -","- C432 H544 Eu24 N72 O232 Zn24 -","4","0.5","","Song, Xue-Qin; Liu, Pan-Pan; Liu, Yuan-Ang; Zhou, Jing-Jing; Wang, Xiao-Long","Two dodecanuclear heterometallic [Zn6Ln6] clusters constructed by a multidentate salicylamide salen-like ligand: synthesis, structure, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8154","8163","10.1039/c6dt00212a","","","0.71073","MoKα","","0.1715","0.1042","","","0.2349","0.2755","","","","","","1.036","","","","has coordinates","185532","2020-10-21","18:00:00",""
"7038903","26.6656","0.0008","19.1031","0.0006","31.7191","0.0008","90","","90","","90","","16157.6","0.8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C108 H136 Dy6 N18 O58 Zn6 -","- C108 H136 Dy6 N18 O58 Zn6 -","- C432 H544 Dy24 N72 O232 Zn24 -","4","0.5","","Song, Xue-Qin; Liu, Pan-Pan; Liu, Yuan-Ang; Zhou, Jing-Jing; Wang, Xiao-Long","Two dodecanuclear heterometallic [Zn6Ln6] clusters constructed by a multidentate salicylamide salen-like ligand: synthesis, structure, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8154","8163","10.1039/c6dt00212a","","","0.71","MoKα","","0.1077","0.0711","","","0.1533","0.1699","","","","","","1.015","","","","has coordinates","185532","2020-10-21","18:00:00",""
"7038927","31.6333","0.0007","19.2972","0.0005","19.7693","0.0005","90","","90","","90","","12067.9","0.5","150","","150","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C84 H64 Br4.74 Cl2.29 N18.5 O34.95 Pb6 -","- C84 H64 Br4.75 Cl2.27 N18.5 O34.95 Pb6 -","- C336 H256 Br19 Cl9.08 N74 O139.8 Pb24 -","4","0.5","","Naga Babu, Chatla; Suresh, Paladugu; Srinivas, Katam; Sathyanarayana, Arruri; Sampath, Natarajan; Prabusankar, Ganesan","Catalytically active lead(ii)-imidazolium coordination assemblies with diversified lead(ii) coordination geometries.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8164","8173","10.1039/c5dt04409j","","","1.54184","CuKα","","0.0663","0.0475","","","0.1288","0.141","","","","","","1.011","","","","has coordinates,has disorder","185531","2020-10-21","18:00:00",""
"7038929","7.3476","0.0004","17.9122","0.0008","12.071","0.0006","90","","90","","90","","1588.68","0.14","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H11 Cl N2 O4 Pb -","- C17 H11 Cl N2 O4 Pb -","- C68 H44 Cl4 N8 O16 Pb4 -","4","0.5","","Naga Babu, Chatla; Suresh, Paladugu; Srinivas, Katam; Sathyanarayana, Arruri; Sampath, Natarajan; Prabusankar, Ganesan","Catalytically active lead(ii)-imidazolium coordination assemblies with diversified lead(ii) coordination geometries.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8164","8173","10.1039/c5dt04409j","","","1.54184","CuKα","","0.0583","0.0514","","","0.1356","0.1469","","","","","","1.058","","","","has coordinates","185531","2020-10-21","18:00:00",""
"7039092","18.453","0.002","8.3383","0.0009","9.4995","0.0013","90","","90","","90","","1461.7","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Co4 O18 P4 -","- Ba Co4 O18 P4 -","- Ba4 Co16 O72 P16 -","4","0.5","","Guo, Wenbin; Tang, Yingying; Zhang, Suyun; Chen, Sihuai; Xiang, Hongping; Xu, Jinqiu; Cui, Meiyan; Wang, Lin; Qiu, Chaoqun; He, Zhangzhen","BaCo4(OH)2(H2PO4)(HPO4)2(PO4): Archimedean lattice T11 in distorted layers built from Co4O12(OH)4 squares.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8708","8711","10.1039/c6dt01014h","","","0.71073","MoKα","","0.0619","0.0492","","","0.1112","0.119","","","","","","1.157","","","","has coordinates","185439","2020-10-21","18:00:00",""
"7039103","19.546","0.004","7.187","0.0014","12.178","0.002","90","","90","","90","","1710.7","0.6","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H20 Al N O -","- C20 H20 Al N O -","- C80 H80 Al4 N4 O4 -","4","0.5","","Wang, Peng; Hao, Xiaomin; Cheng, Jianhua; Chao, Jianbin; Chen, Xia","Aluminum chelates supported by β-quinolyl enolate ligands: synthesis and ROP of ε-CL.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9088","9096","10.1039/c6dt00001k","","","0.71073","MoKα","","0.0614","0.0563","","","0.1675","0.1778","","","","","","1.056","","","","has coordinates","185304","2020-10-21","18:00:00",""
"7039155","28.9553","0.0018","14.5673","0.0009","13.4169","0.0009","90","","90","","90","","5659.3","0.6","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H71 N2 P Th -","- C45 H71 N2 P Th -","- C180 H284 N8 P4 Th4 -","4","0.5","","Behrle, Andrew C.; Walensky, Justin R.","Insertion of (t)BuNC into thorium-phosphorus and thorium-arsenic bonds: phosphaazaallene and arsaazaallene moieties in f element chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10042","10049","10.1039/c6dt00776g","","","0.71073","MoKα","","0.0363","0.0317","","","0.0823","0.0838","","","","","","1.209","","","","has coordinates,has disorder","185388","2020-10-21","18:00:00",""
"7039156","29.0966","0.0019","14.5564","0.0009","13.4878","0.0009","90","","90","","90","","5712.6","0.6","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H71 As N2 Th -","- C45 H71 As N2 Th -","- C180 H284 As4 N8 Th4 -","4","0.5","","Behrle, Andrew C.; Walensky, Justin R.","Insertion of (t)BuNC into thorium-phosphorus and thorium-arsenic bonds: phosphaazaallene and arsaazaallene moieties in f element chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10042","10049","10.1039/c6dt00776g","","","0.71073","MoKα","","0.0412","0.033","","","0.0741","0.0763","","","","","","1.183","","","","has coordinates,has disorder","185388","2020-10-21","18:00:00",""
"7039164","18.6325","0.0004","16.3963","0.0003","10.5649","0.0002","90","","90","","90","","3227.62","0.11","200","","200","","","","","","","","from U of Wollongong","5","P n m a","-P 2ac 2n","62","","1,5,5,9,13,13,20,20-octamethyl-3,7,11,15,18, 22-hexaazabicyclo[7.7.7]tricosanecadmium(II) nitrate dihydrate","","- C25 H58 Cd N8 O8 -","- C25 H58 Cd N8 O8 -","- C100 H232 Cd4 N32 O32 -","4","0.5","","Alcock, Leighton J.; Cavigliasso, Germán; Willis, Anthony C.; Stranger, Robert; Ralph, Stephen F.","Trigonal prismatic metal complexes: a not so rare coordination geometry?","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9036","9040","10.1039/c6dt01176d","","","0.71073","MoKα","","0.043","0.0332","","0.0826","0.0792","0.0826","","","","","","1.0251","","","","has coordinates","185308","2020-10-21","18:00:00",""
"7039165","18.6126","0.0003","16.4042","0.0002","10.5731","0.0002","90","","90","","90","","3228.23","0.09","200","","200","","","","","","","","from U of Wollongong","5","P n m a","-P 2ac 2n","62","","1,5,5,9,13,13,20,20-octamethyl-3,7,11,15,18,22-hexaazabicyclo[7.7.7]tricosanemercury(II) nitrate dihydrate","","- C25 H58 Hg N8 O8 -","- C25 H54 Hg N8 O8 -","- C100 H216 Hg4 N32 O32 -","4","0.5","","Alcock, Leighton J.; Cavigliasso, Germán; Willis, Anthony C.; Stranger, Robert; Ralph, Stephen F.","Trigonal prismatic metal complexes: a not so rare coordination geometry?","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9036","9040","10.1039/c6dt01176d","","","0.71073","MoKα","","0.0387","0.0263","","0.0575","0.0543","0.0575","","","","","","0.9915","","","","has coordinates","185308","2020-10-21","18:00:00",""
"7039201","19.7287","0.0017","15.1632","0.0014","9.0568","0.0008","90","","90","","90","","2709.3","0.4","98","2","98","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H23 N O16 P4 U2 -","- C16 H23 N O16 P4 U2 -","- C64 H92 N4 O64 P16 U8 -","4","0.5","","Zheng, Tao; Gao, Yang; Gui, Daxiang; Chen, Lanhua; Sheng, Daopeng; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Atypical temperature-dependence of symmetry transformation observed in a uranyl phosphonate.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9031","9035","10.1039/c6dt01011c","","","0.71073","MoKα","","0.0245","0.019","","","0.0564","0.0595","","","","","","1.079","","","","has coordinates,has disorder","185311","2020-10-21","18:00:00",""
"7039295","12.2579","0.0005","17.9504","0.0009","21.1486","0.0006","90","","90","","90","","4653.4","0.3","220.6","0.1","220.6","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C50 H66 K2 O4 -","- C50 H66 K2 O4 -","- C200 H264 K8 O16 -","4","0.5","","Li, Yingguo; Zhao, Hongwei; Mao, Xiaoyang; Pan, Xiaobo; Wu, Jincai","Structures of potassium calix[4]arene crown ether inclusion complexes and application in polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9636","9645","10.1039/c6dt01417h","","x-ray","0.71","MoKα","","0.1483","0.0856","","","0.2037","0.2526","","","","","","1.064","","","","has coordinates,has disorder","185516","2020-10-21","18:00:00",""
"7039313","20.344","0.001","17.692","0.0015","10.6","0.0019","90","","90","","90","","3815.2","0.8","150","2","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H63 Li2 N2 O2 P -","- C35.814 H64 Li2 N2 O2 P -","- C143.256 H256 Li8 N8 O8 P4 -","4","0.5","","Vrána, Jan; Ketkov, Sergey; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor","Germylenes and stannylenes stabilized within N2PE rings (E = Ge or Sn): combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10343","10354","10.1039/c6dt01616b","","","0.71073","MoKα","","0.083","0.0585","","","0.1434","0.1674","","","","","","1.068","","","","has coordinates,has disorder","185372","2020-10-21","18:00:00",""
"7039462","15.536","0.011","10.829","0.007","9.115","0.005","90","","90","","90","","1533.5","1.7","100","2","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H15 B9 O3 Ru -","- C9 H15 B9 O3 Ru -","- C36 H60 B36 O12 Ru4 -","4","0.5","","Powley, Samuel L.; Rosair, Georgina M.; Welch, Alan J.","Further studies of the Enhanced Structural Carborane Effect: tricarbonylruthenium and related derivatives of benzocarborane, dihydrobenzocarborane and biphenylcarborane.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11742","11752","10.1039/c6dt01888b","","","0.71073","MoKα","","0.0193","0.0175","","","0.0406","0.0412","","","","","","1.108","","","","has coordinates","185484","2020-10-21","18:00:00",""
"7039593","28.7623","0.0004","21.1882","0.0003","7.7865","0.0001","90","","90","","90","","4745.26","0.11","150","2","150","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C13.5 H22.5 Cl1.5 F6 N O3 P Ru S4 -","- C13.5 H22.5 Cl1.5 F6 N O3 P Ru S4 -","- C108 H180 Cl12 F48 N8 O24 P8 Ru8 S32 -","8","1","","Kljun, Jakob; Anko, Maja; Traven, Katja; Sinreih, Maša; Pavlič, Renata; Peršič, Špela; Ude, Žiga; Codina, Elisa Esteve; Stojan, Jure; Lanišnik Rižner, Tea; Turel, Iztok","Pyrithione-based ruthenium complexes as inhibitors of aldo-keto reductase 1C enzymes and anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11791","11800","10.1039/c6dt00668j","","","0.71073","MoKα","","0.031","0.0238","","","0.0608","0.0662","","","","","","0.679","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7040011","26.847","0.003","6.6403","0.0007","11.0216","0.0011","90","","90","","90","","1964.8","0.4","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C16 H17 Cl F6 N5 P Pd -","- C16 H17 Cl F6 N5 P Pd -","- C64 H68 Cl4 F24 N20 P4 Pd4 -","4","0.5","","Moussa, Jamal; Haddouche, Kamel; Chamoreau, Lise-Marie; Amouri, Hani; Gareth Williams, J. A.","New N^C^N-coordinated Pd(ii) and Pt(ii) complexes of a tridentate N-heterocyclic carbene ligand featuring a 6-membered central ring: synthesis, structures and luminescence.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12644","12648","10.1039/c6dt02415g","","","0.71073","MoKα","","0.0964","0.0747","","","0.1381","0.1438","","","","","","1.39","","","","has coordinates,has disorder","186437","2020-10-21","18:00:00",""
"7040012","26.8248","0.0013","6.6453","0.0003","11.0181","0.0005","90","","90","","90","","1964.07","0.16","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C16 H17 Cl F6 N5 P Pt -","- C16 H17 Cl F6 N5 P Pt -","- C64 H68 Cl4 F24 N20 P4 Pt4 -","4","0.5","","Moussa, Jamal; Haddouche, Kamel; Chamoreau, Lise-Marie; Amouri, Hani; Gareth Williams, J. A.","New N^C^N-coordinated Pd(ii) and Pt(ii) complexes of a tridentate N-heterocyclic carbene ligand featuring a 6-membered central ring: synthesis, structures and luminescence.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12644","12648","10.1039/c6dt02415g","","","0.71073","MoKα","","0.0575","0.0454","","","0.091","0.0951","","","","","","1.005","","","","has coordinates,has disorder","186437","2020-10-21","18:00:00",""
"7040100","11.5165","0.0003","10.9267","0.0002","6.2156","0.0001","90","","90","","90","","782.15","0.03","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Cr(CO)6_110degree","","","- C6 Cr O6 -","- C6 Cr O6 -","- C24 Cr4 O24 -","4","0.5","","Deringer, Volker L.; Wang, Ai; George, Janine; Dronskowski, Richard; Englert, Ulli","Anisotropic thermal motion in transition-metal carbonyls from experiments and ab initio theory.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13680","13685","10.1039/c6dt02487d","","","0.71073","MoKα","","0.0448","0.036","","","0.0987","0.1054","","","","","","1.055","","","","has coordinates","186378","2020-10-21","18:00:00",""
"7040101","11.5165","0.0003","10.9267","0.0002","6.2156","0.0001","90","","90","","90","","782.15","0.03","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Cr(CO)6_90degree","","","- C6 Cr O6 -","- C6 Cr O6 -","- C24 Cr4 O24 -","4","0.5","","Deringer, Volker L.; Wang, Ai; George, Janine; Dronskowski, Richard; Englert, Ulli","Anisotropic thermal motion in transition-metal carbonyls from experiments and ab initio theory.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13680","13685","10.1039/c6dt02487d","","","0.71073","MoKα","","0.0325","0.0283","","","0.0758","0.0788","","","","","","1.068","","","","has coordinates","186378","2020-10-21","18:00:00",""
"7040133","14.4443","0.0006","18.4741","0.0007","9.5304","0.0003","90","","90","","90","","2543.14","0.16","140","2","140","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C33 H33 Cl N2 -","- C33 H33 Cl N2 -","- C132 H132 Cl4 N8 -","4","0.5","","Gianopoulos, Christopher G.; Kumar, Nishant; Zhao, Yihong; Jia, Li; Kirschbaum, Kristin; Mason, Mark R.","Aluminum alkoxide, amide and halide complexes supported by a bulky dipyrromethene ligand: synthesis, characterization, and preliminary ε-caprolactone polymerization activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13787","13797","10.1039/c6dt02449a","","","1.54178","CuKα","","0.0299","0.0298","","","0.0768","0.0769","","","","","","1.047","","","","has coordinates","186386","2020-10-21","18:00:00",""
"7040134","14.46","0.0019","18.427","0.002","10.2026","0.0013","90","","90","","90","","2718.5","0.6","140","2","140","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C33 H33 I N2 -","- C33 H33 I N2 -","- C132 H132 I4 N8 -","4","0.5","","Gianopoulos, Christopher G.; Kumar, Nishant; Zhao, Yihong; Jia, Li; Kirschbaum, Kristin; Mason, Mark R.","Aluminum alkoxide, amide and halide complexes supported by a bulky dipyrromethene ligand: synthesis, characterization, and preliminary ε-caprolactone polymerization activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13787","13797","10.1039/c6dt02449a","","","0.71073","MoKα","","0.0444","0.032","","","0.0807","0.0866","","","","","","1.035","","","","has coordinates","186386","2020-10-21","18:00:00",""
"7040161","14.3211","0.0006","24.2943","0.0009","12.1511","0.0004","90","","90","","90","","4227.6","0.3","160.3","0.9","160.3","0.9","","","","","","","","6","P n m a","-P 2ac 2n","62","","SI538K3","","- C40 H47 Cl6 Ir N2 O3 -","- C40 H47 Cl6 Ir N2 O3 -","- C160 H188 Cl24 Ir4 N8 O12 -","4","0.5","","Ibañez, S; Poyatos, M.; Peris, E.","Mono and dimetallic pyrene-imidazolylidene complexes of iridium(iii) for the deuteration of organic substrates and the C-C coupling of alcohols.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14154","14159","10.1039/c6dt02942f","","x-ray","0.71073","MoKα","","0.0351","0.0288","","","0.0767","0.0855","","","","","","0.763","","","","has coordinates,has disorder","187125","2020-10-21","18:00:00",""
"7040213","7.88163","0.00018","16.2823","0.0004","15.3253","0.0003","90","","90","","90","","1966.71","0.08","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H21 As O2 -","- C24 H21 As O2 -","- C96 H84 As4 O8 -","4","0.5","","Ishidoshiro, Makoto; Imoto, Hiroaki; Tanaka, Susumu; Naka, Kensuke","An experimental study on arsoles: structural variation, optical and electronic properties, and emission behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8717","8723","10.1039/c6dt01010e","","","0.71075","MoKα","","","0.0306","","","","0.0934","","","","","","1.009","","","","has coordinates","185068","2020-10-21","18:00:00",""
"7040221","19.62","0.005","5.8942","0.0015","8.422","0.002","90","","90","","90","","974","0.4","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","4,5-dioxo-naphtho[1,2-d][1,2,3]dithiazol-2-ium chloride","","- C10 H4 Cl N O2 S2 -","- C10 H4 Cl N O2 S2 -","- C40 H16 Cl4 N4 O8 S8 -","4","0.5","","Smithson, Chad S.; MacDonald, Daniel J.; Matt Letvenuk, T.; Carello, Christian E.; Jennings, Michael; Lough, Alan J.; Britten, James; Decken, Andreas; Preuss, Kathryn E.","A 1,2,3-dithiazolyl-o-naphthoquinone: a neutral radical with isolable cation and anion oxidation states.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9608","9620","10.1039/c6dt01249c","","","0.71073","MoKα","","0.0529","0.0373","","","0.0913","0.0988","","","","","","1.063","","","","has coordinates","185071","2020-10-21","18:00:00",""
"7040440","19.2404","0.0004","19.8237","0.0004","8.2389","0.0002","90","","90","","90","","3142.45","0.12","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H30 N4 O14 Ru3 -","- C23 H30 N4 O14 Ru3 -","- C92 H120 N16 O56 Ru12 -","4","0.5","","Moreira, Mariete B.; Da Silva, Camila F. N.; Pesci, Rafaela B. P.; Deflon, Victor M.; Nikolaou, Sofia","Revisiting oxo-centered carbonyl-triruthenium clusters: investigating CO photorelease and some spectroscopic and electrochemical correlations.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16799","16809","10.1039/c6dt02511k","","","0.71073","MoKα","","0.0455","0.0275","","","0.0553","0.0617","","","","","","1.009","","","","has coordinates","188247","2020-10-21","18:00:00",""
"7040810","17.6972","0.0007","16.5426","0.0007","22.9862","0.001","90","","90","","90","","6729.4","0.5","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C57 H94 Cl3 Fe N2 O3 P -","- C57 H96 Cl3 Fe N2 O3 P -","- C228 H384 Cl12 Fe4 N8 O12 P4 -","4","0.5","","Li, Zhuang; Liu, Ling; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Alkyl Grignard cross-coupling of aryl phosphates catalyzed by new, highly active ionic iron(ii) complexes containing a phosphine ligand and an imidazolium cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17739","17747","10.1039/c6dt02995g","","","0.71073","MoKα","","0.1402","0.1008","","","0.3036","0.3424","","","","","","1.198","","","","has coordinates,has disorder","190178","2020-10-21","18:00:00",""
"7040867","42.075","0.008","46.492","0.009","14.649","0.003","90","","90","","90","","28656","10","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C180 H330 Cl6 Mn24 N20 O90 P26 -","- C180.02 H288.02 Cl6 Mn24 N20.004 O90 P26 -","- C720.08 H1152.08 Cl24 Mn96 N80.016 O360 P104 -","4","0.5","","Zhang, Lei; Chimamkpam, Theresa; Onet, Camelia I.; Zhu, Nianyong; Clérac, Rodolphe; Schmitt, Wolfgang","Anion-directed supramolecular chemistry modulating the magnetic properties of nanoscopic Mn coordination clusters: from polynuclear high-spin complexes to SMMs.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17705","17713","10.1039/c6dt02642g","","","0.71073","MoKα","","0.1203","0.0768","","","0.1667","0.1894","","","","","","1.037","","","","has coordinates,has disorder","190188","2020-10-21","18:00:00",""
"7041026","24.4099","0.0003","19.09733","0.00018","13.83242","0.00015","90","","90","","90","","6448.18","0.12","99.9","0.5","99.9","0.5","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C39 H75 Ce Cl6 Co2 N2 O18 P6 S2 -","- C39 H75 Ce Cl6 Co2 N2 O18 P6 S2 -","- C156 H300 Ce4 Cl24 Co8 N8 O72 P24 S8 -","4","0.5","","Au-Yeung, Ka-Chun; So, Yat-Ming; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Tetravalent cerium pseudohalide complexes supported by the Kläui tripodal ligand [Co(η(5)-C5H5){P(O)(OEt)2}3]().","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18163","18170","10.1039/c6dt03740b","","x-ray","1.5418","CuKα","","0.0816","0.0543","","","0.1181","0.1288","","","","","","1.001","","","","has coordinates,has disorder","190162","2020-10-21","18:00:00",""
"7041429","10.0475","0.0002","22.0781","0.0004","7.2634","0.0001","90","","90","","90","","1611.24","0.05","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Two-dimensional Cobalt Sulfate","","","- C4 H16 Co3 F2 N2 O14 S3 -","- C4 H16 Co3 F2 N2 O14 S3 -","- C16 H64 Co12 F8 N8 O56 S12 -","4","0.5","","Marri, Subba R.; Mahana, Sudipta; Topwal, Dinesh; Behera, J. N.","Synthesis and characterization of layered metal sulfates containing M(μ3-OH/F)2(M = Mg, Co) diamond chains.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1105","1111","10.1039/c6dt04142f","","","0.71073","MoKα","","0.0223","0.02","","","0.0508","0.053","","","","","","1.064","","","","has coordinates","191599","2020-10-21","18:00:00",""
"7041450","23.0884","0.0008","12.399","0.0004","8.2064","0.0003","90","","90","","90","","2349.27","0.14","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H33 Ga N2 -","- C24 H33 Ga N2 -","- C96 H132 Ga4 N8 -","4","0.5","","Wu, Melissa M.; Gill, Arran M.; Yunpeng, Lu; Yongxin, Li; Ganguly, Rakesh; Falivene, Laura; García, Felipe","Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","854","864","10.1039/c6dt04448d","","","0.71073","MoKα","","0.0645","0.0339","","","0.0774","0.0908","","","","","","1.005","","","","has coordinates","191630","2020-10-21","18:00:00",""
"7041555","16.74","0.003","11.664","0.002","12.351","0.002","90","","90","","90","","2411.6","0.7","98","2","98","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C17 H27 Co N O12 P3 Ru -","- C17 H27 Co N O12 P3 Ru -","- C68 H108 Co4 N4 O48 P12 Ru4 -","4","0.5","","Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis and characterisation of ruthenium-nitrosyl complexes in oxygen-rich ligand environments.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1186","1193","10.1039/c6dt04717c","","","0.71073","MoKα","","0.0493","0.0454","","","0.1228","0.1264","","","","","","1.013","","","","has coordinates","191614","2020-10-21","18:00:00",""
"7041643","7.4585","0.00003","14.52185","0.00006","11.04584","0.00005","90","","90","","90","","1196.39","0.009","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cd O3 Te -","- Cd O3 Te -","- Cd16 O48 Te16 -","16","2","","Poupon, Morgane; Barrier, Nicolas; Petit, Sébastien; Boudin, Sophie","A new β-CdTeO3 polymorph with a structure related to α-CdTeO3.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1927","1935","10.1039/c6dt04449b","powder diffraction","x-ray","1.5406","CuKα1","","0.0228","0.0225","","0.0276","0.0276","","","","1.56","","","","","","","has coordinates","193804","2020-10-21","18:00:00",""
"7041655","15.2441","0.0003","17.0861","0.0005","16.0747","0.0003","90","","90","","90","","4186.85","0.17","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C44 H72 Ru4 -","- C44 H65 Ru4 -","- C176 H260 Ru16 -","4","0.5","","Kameo, Hajime; Ito, Yutaka; Shimogawa, Ryuichi; Koizumi, Asuka; Chikamori, Hiroki; Fujimoto, Junko; Suzuki, Hiroharu; Takao, Toshiro","Synthesis and characterisation of tetranuclear ruthenium polyhydrido clusters with pseudo-tetrahedral geometry.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5631","5643","10.1039/c6dt04523e","","","0.71069","MoKα","","0.0272","0.0264","","","0.0692","0.0699","","","","","","1.048","","","","has coordinates","196414","2020-10-21","18:00:00",""
"7041658","15.3508","0.0006","17.1336","0.0006","16.1327","0.0006","90","","90","","90","","4243.1","0.3","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C44 H74 Ru4 -","- C44 H68 Ru4 -","- C176 H272 Ru16 -","4","0.5","","Kameo, Hajime; Ito, Yutaka; Shimogawa, Ryuichi; Koizumi, Asuka; Chikamori, Hiroki; Fujimoto, Junko; Suzuki, Hiroharu; Takao, Toshiro","Synthesis and characterisation of tetranuclear ruthenium polyhydrido clusters with pseudo-tetrahedral geometry.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5631","5643","10.1039/c6dt04523e","","","0.71069","MoKα","","0.0359","0.0313","","","0.0743","0.0765","","","","","","1.047","","","","has coordinates","196414","2020-10-21","18:00:00",""
"7041698","20.2","0.003","20.33","0.003","10.5545","0.0014","90","","90","","90","","4334.4","1.1","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C46 H51 B N9 O5 Tb -","- C46 H51 B N9 O5 Tb -","- C184 H204 B4 N36 O20 Tb4 -","4","0.5","","Mikhalyova, Elena A.; Yakovenko, Anastasiya V.; Zeller, Matthias; Gavrilenko, Konstantin S.; Kiskin, Mikhail A.; Smola, Sergey S.; Dotsenko, Vladimir P.; Eremenko, Igor L.; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Crystal structures and intense luminescence of tris(3-(2'-pyridyl)-pyrazolyl)borate Tb(3+) and Eu(3+) complexes with carboxylate co-ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3457","3469","10.1039/c6dt04757b","","","0.71073","MoKα","","0.0331","0.0268","","","0.0577","0.0607","","","","","","1.018","","","","has coordinates","195095","2020-10-21","18:00:00",""
"7041738","15.9638","0.0027","15.4774","0.0025","10.2837","0.0017","90","","90","","90","","2540.9","0.7","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","trp101612","trp101612","","- C23 H37 B Cu N6 O2 -","- C23 H37 B Cu N6 O2 -","- C92 H148 B4 Cu4 N24 O8 -","4","0.5","","Porter, Thomas R.; Hayes, Ellen C.; Kaminsky, Werner; Mayer, James M.","Sterically directed nitronate complexes of 2,6-di-tert-butyl-4-nitrophenoxide with Cu(ii) and Zn(ii) and their H-atom transfer reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2551","2558","10.1039/c6dt04427a","","","0.71073","MoKα","","0.0248","0.0232","","","0.0649","0.0665","","","","","","1.048","","","","has coordinates","193774","2020-10-21","18:00:00",""
"7041753","10.0995","0.0002","14.5864","0.0003","11.3819","0.0002","90","","90","","90","","1676.73","0.06","133","2","133","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H16 Br Mn N4 O3 -","- C14 H16 Br Mn N4 O3 -","- C56 H64 Br4 Mn4 N16 O12 -","4","0.5","","Mede, Ralf; Traber, Juliane; Klein, Moritz; Görls, Helmar; Gessner, Guido; Hoffmann, Patrick; Schmitt, Michael; Popp, Jürgen; Heinemann, Stefan H.; Neugebauer, Ute; Westerhausen, Matthias","Synthesis and solution stability of water-soluble κ(2)N,κO-bis(3,5-dimethylpyrazolyl)ethanol manganese(i) tricarbonyl bromide (CORM-ONN1).","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1684","1693","10.1039/c6dt03551e","","","0.71073","MoKα","","0.0238","0.0214","","","0.0447","0.0461","","","","","","1.101","","","","has coordinates","191652","2020-10-21","18:00:00",""
"7041760","7.8294","0.0007","10.3796","0.0009","18.2256","0.0016","90","","90","","90","","1481.1","0.2","250","2","250","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H11 I3 N2 Pb -","- C7 H11 I3 N2 Pb -","- C28 H44 I12 N8 Pb4 -","4","0.5","","Duan, Hai-Bao; Yu, Shan-Shan; Liu, Shao-Xian; Zhang, Hui","An inorganic-organic hybrid crystal with a two-step dielectric response and thermochromic luminescence.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2220","2227","10.1039/c6dt03691k","","","0.71073","MoKα","","0.0378","0.0301","","","0.0864","0.0907","","","","","","1.078","","","","has coordinates","193829","2020-10-21","18:00:00",""
"7041761","7.853","0.0015","10.418","0.002","18.343","0.004","90","","90","","90","","1500.7","0.5","350","2","350","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H11 I3 N2 Pb -","- C7 H11 I3 N2 Pb -","- C28 H44 I12 N8 Pb4 -","4","0.5","","Duan, Hai-Bao; Yu, Shan-Shan; Liu, Shao-Xian; Zhang, Hui","An inorganic-organic hybrid crystal with a two-step dielectric response and thermochromic luminescence.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2220","2227","10.1039/c6dt03691k","","","0.71073","MoKα","","0.0842","0.0729","","","0.1928","0.2016","","","","","","1.024","","","","has coordinates","193829","2020-10-21","18:00:00",""
"7041762","7.8158","0.0008","10.3604","0.001","18.175","0.0018","90","","90","","90","","1471.7","0.3","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H11 I3 N2 Pb -","- C7 H11 I3 N2 Pb -","- C28 H44 I12 N8 Pb4 -","4","0.5","","Duan, Hai-Bao; Yu, Shan-Shan; Liu, Shao-Xian; Zhang, Hui","An inorganic-organic hybrid crystal with a two-step dielectric response and thermochromic luminescence.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2220","2227","10.1039/c6dt03691k","","","0.71073","MoKα","","0.0391","0.0333","","","0.0868","0.0902","","","","","","1.076","","","","has coordinates","193829","2020-10-21","18:00:00",""
"7041763","7.8382","0.0006","10.3922","0.0007","18.2707","0.0013","90","","90","","90","","1488.26","0.19","300","2","300","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H11 I3 N2 Pb -","- C7 H11 I3 N2 Pb -","- C28 H44 I12 N8 Pb4 -","4","0.5","","Duan, Hai-Bao; Yu, Shan-Shan; Liu, Shao-Xian; Zhang, Hui","An inorganic-organic hybrid crystal with a two-step dielectric response and thermochromic luminescence.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2220","2227","10.1039/c6dt03691k","","","0.71073","MoKα","","0.0708","0.0666","","","0.1886","0.1941","","","","","","1.064","","","","has coordinates,has disorder","193829","2020-10-21","18:00:00",""
"7041764","7.8023","0.0009","10.3378","0.0012","18.12","0.002","90","","90","","90","","1461.5","0.3","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H11 I3 N2 Pb -","- C7 H11 I3 N2 Pb -","- C28 H44 I12 N8 Pb4 -","4","0.5","","Duan, Hai-Bao; Yu, Shan-Shan; Liu, Shao-Xian; Zhang, Hui","An inorganic-organic hybrid crystal with a two-step dielectric response and thermochromic luminescence.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2220","2227","10.1039/c6dt03691k","","","0.71073","","","0.0371","0.033","","","0.0879","0.0903","","","","","","1.104","","","","has coordinates","193829","2020-10-21","18:00:00",""
"7041827","9.6566","0.0003","20.1455","0.0009","10.0161","0.0004","90","","90","","90","","1948.5","0.13","100","0.3","100","0.3","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H18 F6 Mn O11 S2 -","- C8 H18 F6 Mn O11 S2 -","- C32 H72 F24 Mn4 O44 S8 -","4","0.5","","Sniekers, Jeroen; Malaquias, João C; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Manganese-containing ionic liquids: synthesis, crystal structures and electrodeposition of manganese films and nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2497","2509","10.1039/c6dt04781e","","","0.71073","MoKα","","0.0411","0.0359","","","0.0892","0.0923","","","","","","1.093","","","","has coordinates","193782","2020-10-21","18:00:00",""
"7041889","30.1774","0.0006","27.4706","0.0005","8.96993","0.00016","90","","90","","90","","7436","0.2","123","","123","","","","","","","","","3","P n m a","-P 2ac 2n","62","Ext_PhGe[5] with hexane","extended decaphenyl germa[5]pericyclyne","","- C86 H40 Ge5 -","- C86 H40 Ge5 -","- C344 H160 Ge20 -","4","0.5","","Tanimoto, Hiroki; Fujiwara, Taro; Mori, Junta; Nagao, Tomohiko; Nishiyama, Yasuhiro; Morimoto, Tsumoru; Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki; Kakiuchi, Kiyomi","Extended germa[N]pericyclynes: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2281","2288","10.1039/c6dt04633a","","","0.71075","MoKα","","0.059","0.0467","","","0.1074","0.1136","","","","","","1.034","","","","has coordinates,has disorder","193832","2020-10-21","18:00:00",""
"7042016","12.691","0.002","26.883","0.002","7.54","0.005","90","","90","","90","","2572.4","1.8","173","2","173.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H32 Br2 N4 Pd -","- C25 H32 Br2 N4 Pd -","- C100 H128 Br8 N16 Pd4 -","4","0.5","","Gardiner, Michael G.; McGuinness, David S.; Vanston, Catriona R.","Chelated bis(NHC) complexes of saturated (imidazolin-2-ylidene) NHC ligands: structural authentication and facile ligand fragmentation.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3051","3058","10.1039/c7dt00327g","","","0.7107","Synchrotron","","0.0588","0.0528","","","0.1349","0.1399","","","","","","1.059","","","","has coordinates","193839","2020-10-21","18:00:00",""
"7042043","21.3988","0.0004","13.5732","0.0003","10.4153","0.0002","90","","90","","90","","3025.13","0.11","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H40 F4 N3 Sb -","- C29 H40 F4 N3 Sb -","- C116 H160 F16 N12 Sb4 -","4","0.5","","Alič, Blaž; Štefančič, Aleš; Tavčar, Gašper","Small molecule activation: SbF3 auto-ionization supported by transfer and mesoionic NHC rearrangement.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3338","3346","10.1039/c6dt04909e","","x-ray","1.54184","CuKα","","0.0599","0.0593","","","0.1478","0.148","","","","","","1.213","","","","has coordinates,has disorder","195061","2020-10-21","18:00:00",""
"7042223","14.9147","0.0004","22.5136","0.0006","25.099","0.0007","90","","90","","90","","8427.8","0.4","180","2","180","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C69 H87 Eu O30 Ti6 -","- C69 H84 Eu O30 Ti6 -","- C276 H336 Eu4 O120 Ti24 -","4","0.5","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54178","CuKα","","0.049","0.0385","","","0.0909","0.0971","","","","","","1.032","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00",""
"7042230","15.281","0.005","21.433","0.007","8.29","0.003","90","","90","","90","","2715.1","1.6","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","3","[Cp*Fe(?-S(C6H4S2)(?-S2)FeCp*]","","- C26 H34 Fe2 S5 -","- C26 H34 Fe2 S5 -","- C104 H136 Fe8 S20 -","4","0.5","","Ji, Xiaoxiao; Tong, Peng; Yang, Dawei; Wang, Baomin; Zhao, Jinfeng; Li, Yang; Qu, Jingping","Synthesis, structural characterization and conversion of dinuclear iron-sulfur clusters containing the disulfide ligand: [Cp*Fe(μ-η(2):η(2)-bdt)(cis-μ-η(1):η(1)-S2)FeCp*], [Cp*Fe(μ-S(C6H4S2))(cis-μ-η(1):η(1)-S2)FeCp*], and [{Cp*Fe(bdt)}2(trans-μ-η(1):η(1)-S2)].","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3820","3824","10.1039/c7dt00450h","","","0.71073","MoKα","","0.1138","0.0617","","","0.113","0.128","","","","","","1.225","","","","has coordinates","195119","2020-10-21","18:00:00",""
"7042270","8.856","0.002","5.6314","0.0014","6.841","0.0016","90","","90","","90","","341.17","0.14","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B F4 N O -","- B F4 N O -","- B4 F16 N4 O4 -","4","0.5","","Morozov, I. V.; Deeva, E. B.; Glazunova, T. Yu; Troyanov, S. I.; Guseinov, F. I.; Kustov, L. M.","Interaction of copper with dinitrogen tetroxide in 1-butyl-3-methylimidazolium-based ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4430","4434","10.1039/c6dt04526j","","","0.71073","MoKα","","0.024","0.0213","","","0.0529","0.0543","","","","","","0.939","","","","has coordinates","195087","2020-10-21","18:00:00",""
"7042453","12.2999","0.0004","12.3134","0.0004","10.9388","0.0006","90","","90","","90","","1656.72","0.12","110.15","","110.15","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C12 H18 Cl N2 Ni O3 Re S2 -","- C12 H18 Cl N2 Ni O3 Re S2 -","- C48 H72 Cl4 N8 Ni4 O12 Re4 S8 -","4","0.5","","Lunsford, Allen M.; Goldstein, Kristina F.; Cohan, Matthew A.; Denny, Jason A.; Bhuvanesh, Nattamai; Ding, Shengda; Hall, Michael B.; Darensbourg, Marcetta Y.","Comparisons of MN2S2vs. bipyridine as redox-active ligands to manganese and rhenium in (L-L)M'(CO)3Cl complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5175","5182","10.1039/c7dt00600d","","","1.54178","CuKα","","0.0318","0.0305","","","0.074","0.0746","","","","","","1.102","","","","has coordinates,has disorder","196422","2020-10-21","18:00:00",""
"7042454","18.837","0.0008","10.3101","0.0004","9.3359","0.0004","90","","90","","90","","1813.14","0.13","110","","110","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C12 H18 Cl Fe N3 O4 Re S2 -","- C12 H18 Cl Fe N3 O4 Re S2 -","- C48 H72 Cl4 Fe4 N12 O16 Re4 S8 -","4","0.5","","Lunsford, Allen M.; Goldstein, Kristina F.; Cohan, Matthew A.; Denny, Jason A.; Bhuvanesh, Nattamai; Ding, Shengda; Hall, Michael B.; Darensbourg, Marcetta Y.","Comparisons of MN2S2vs. bipyridine as redox-active ligands to manganese and rhenium in (L-L)M'(CO)3Cl complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5175","5182","10.1039/c7dt00600d","","","0.71073","MoKα","","0.0288","0.024","","","0.0546","0.0563","","","","","","1.123","","","","has coordinates","196422","2020-10-21","18:00:00",""
"7042455","12.4666","0.0008","12.2823","0.0007","10.8128","0.0006","90","","90","","90","","1655.64","0.17","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C12 H18 Br Mn N2 Ni O3 S2 -","- C12 H18 Br Mn N2 Ni O3 S2 -","- C48 H72 Br4 Mn4 N8 Ni4 O12 S8 -","4","0.5","","Lunsford, Allen M.; Goldstein, Kristina F.; Cohan, Matthew A.; Denny, Jason A.; Bhuvanesh, Nattamai; Ding, Shengda; Hall, Michael B.; Darensbourg, Marcetta Y.","Comparisons of MN2S2vs. bipyridine as redox-active ligands to manganese and rhenium in (L-L)M'(CO)3Cl complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5175","5182","10.1039/c7dt00600d","","","0.71073","MoKα","","0.0432","0.0319","","","0.0763","0.0814","","","","","","1.085","","","","has coordinates,has disorder","196422","2020-10-21","18:00:00",""
"7042457","18.6248","0.0015","10.8713","0.0009","9.1657","0.0007","90","","90","","90","","1855.8","0.3","110.15","","110.15","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C12 H18 Br Fe Mn N3 O4 S2 -","- C12 H18 Br Fe Mn N3 O4 S2 -","- C48 H72 Br4 Fe4 Mn4 N12 O16 S8 -","4","0.5","","Lunsford, Allen M.; Goldstein, Kristina F.; Cohan, Matthew A.; Denny, Jason A.; Bhuvanesh, Nattamai; Ding, Shengda; Hall, Michael B.; Darensbourg, Marcetta Y.","Comparisons of MN2S2vs. bipyridine as redox-active ligands to manganese and rhenium in (L-L)M'(CO)3Cl complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5175","5182","10.1039/c7dt00600d","","","1.54178","CuKα","","0.0484","0.0432","","","0.0897","0.0917","","","","","","1.172","","","","has coordinates","196422","2020-10-21","18:00:00",""
"7042619","13.3001","0.0011","12.6959","0.001","13.931","0.0012","90","","90","","90","","2352.3","0.3","295","2","295","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C19 H27 Cl F6 Ir N4 P -","- C19 H27 Cl F6 Ir N4 P -","- C76 H108 Cl4 F24 Ir4 N16 P4 -","4","0.5","","Wang, Chuanlan; Liu, Jinfeng; Tian, Zhenzhen; Tian, Meng; Tian, Laijin; Zhao, Wenqian; Liu, Zhe","Half-Sandwich Iridium N-Heterocyclic Carbene Anticancer Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00575J","","","0.71073","MoKα","","0.0271","0.0249","","","0.0661","0.0671","","","","","","1.069","","","","has coordinates","194614","2020-10-21","18:00:00",""
"7042641","58.295","0.007","11.9914","0.0014","24.911","0.003","90","","90","","90","","17414","4","150","2","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C65 H56 F18 N14 P3 Pd3 -","- C65 H56 F18 N14 P3 Pd3 -","- C520 H448 F144 N112 P24 Pd24 -","8","1","","Cui, Yu; Chen, Zi-Man; Jiang, Xuan-Feng; Tong, Jin; Yu, Shu-Yan","Self-Assembly and Anion sensing of Metal-organic [M6L2] Cages from Fluorescent Triphenylamine Tri-pyrazoles with Dipalladium(II,II) Corners","Dalton Trans.","2017","","","","","10.1039/C7DT00179G","","","0.71073","MoKα","","0.2202","0.1171","","","0.2768","0.3293","","","","","","1.02","","","","has coordinates,has disorder","194914","2020-10-21","18:00:00",""
"7042688","16.5036","0.0002","3.9012","0.0007","24.757","0.001","90","","90","","90","","1594","0.3","293","","293","","","","","","","","see text","4","P n m a","-P 2ac 2n","62","lanthanum_vanadium_selenide_oxide","","","- La5 O5 Se7 V3 -","- La5 O5 Se7 V3 -","- La20 O20 Se28 V12 -","4","0.5","","Peschke, Simon; Gamperl, Lisa; Weippert, Valentin; Johrendt, Dirk","Flux Synthesis, Crystal Structures, and Physical Properties of New Lanthanum Vanadium Oxyselenides","Dalton Trans.","2017","","","","","10.1039/C7DT00779E","","x-ray","0.71073","MoKα","","0.0454","0.0237","","","0.0421","0.0472","","","","","","1.03","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7042892","11.9844","0.0008","15.3276","0.0011","10.8448","0.0008","90","","90","","90","","1992.1","0.2","100","","100.02","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H21 B F4 N2 Ni -","- C21 H21 B F4 N2 Ni -","- C84 H84 B4 F16 N8 Ni4 -","4","0.5","","Sondermann, Christina; Ringenberg, Mark R.","Tuning the overpotential of electrocatalytically active cyclopentadienylnickel complexes containing 1,4-diaza-1,3-butadienes (DAB) for proton reduction.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5143","5146","10.1039/c7dt00960g","","","0.71073","MoKα","","0.0431","0.0311","","","0.1099","0.129","","","","","","1.0667","","","","has coordinates,has disorder","196240","2020-10-21","18:00:00",""
"7042913","12.7346","0.0009","26.731","0.002","8.4383","0.0006","90","","90","","90","","2872.5","0.4","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Poly{bis(mu-1,2-di(4-pyridyl)ethylene)-mu5-pyrazole-3,5-dicarboxylato)dicopper(II) thiocyanate}","","","- C30 H21 Cu2 N7 O4 S -","- C30 H21 Cu2 N7 O4 S -","- C120 H84 Cu8 N28 O16 S4 -","4","0.5","","Klongdee, Fatima; Boonmak, Jaursup; Youngme, Sujittra","Anion-dependent self-assembly of copper coordination polymers based on pyrazole-3,5-dicarboxylate and 1,2-di(4-pyridyl)ethylene.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4806","4815","10.1039/c7dt00406k","","","0.71073","MoKα","","0.1394","0.0687","","","0.163","0.1944","","","","","","1.055","","","","has coordinates,has disorder","196245","2020-10-21","18:00:00",""
"7042914","12.4115","0.0007","26.8057","0.0016","8.4121","0.0005","90","","90","","90","","2798.7","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Poly{bis(mu-1,2-di(4-pyridyl)ethylene)-mu5-pyrazole-3,5-dicarboxylato)dicopper(II) nitrate}","","","- C29 H21 Cu2 N7 O7 -","- C29 H21 Cu2 N7 O7 -","- C116 H84 Cu8 N28 O28 -","4","0.5","","Klongdee, Fatima; Boonmak, Jaursup; Youngme, Sujittra","Anion-dependent self-assembly of copper coordination polymers based on pyrazole-3,5-dicarboxylate and 1,2-di(4-pyridyl)ethylene.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4806","4815","10.1039/c7dt00406k","","","0.71073","MoKα","","0.081","0.0511","","","0.0926","0.1004","","","","","","1.129","","","","has coordinates,has disorder","196245","2020-10-21","18:00:00",""
"7042915","12.8632","0.0008","26.6997","0.0018","8.4942","0.0006","90","","90","","90","","2917.3","0.3","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Poly{bis(mu-1,2-di(4-pyridyl)ethylene)-mu5-pyrazole-3,5-dicarboxylato)dicopper(II) perchlorate}","","","- C29 H21 Cl Cu2 N6 O8 -","- C29 H21 Cl Cu2 N6 O8 -","- C116 H84 Cl4 Cu8 N24 O32 -","4","0.5","","Klongdee, Fatima; Boonmak, Jaursup; Youngme, Sujittra","Anion-dependent self-assembly of copper coordination polymers based on pyrazole-3,5-dicarboxylate and 1,2-di(4-pyridyl)ethylene.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4806","4815","10.1039/c7dt00406k","","","0.71073","MoKα","","0.1356","0.0769","","","0.1887","0.2085","","","","","","1.189","","","","has coordinates,has disorder","196245","2020-10-21","18:00:00",""
"7042916","12.7573","0.0006","26.7175","0.0013","8.4773","0.0003","90","","90","","90","","2889.4","0.2","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Poly{bis(mu-1,2-di(4-pyridyl)ethylene)-mu5-pyrazole-3,5-dicarboxylato)dicopper(II) tetrafluoroborate}","","","- C29 H21 B Cu2 F4 N6 O4 -","- C29 H21 B Cu2 F4 N6 O4 -","- C116 H84 B4 Cu8 F16 N24 O16 -","4","0.5","","Klongdee, Fatima; Boonmak, Jaursup; Youngme, Sujittra","Anion-dependent self-assembly of copper coordination polymers based on pyrazole-3,5-dicarboxylate and 1,2-di(4-pyridyl)ethylene.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4806","4815","10.1039/c7dt00406k","","","0.71073","MoKα","","0.1487","0.0697","","","0.1352","0.1589","","","","","","1.061","","","","has coordinates,has disorder","196245","2020-10-21","18:00:00",""
"7042945","18.1783","0.0003","17.8683","0.0003","9.802","0.0001","90","","90","","90","","3183.84","0.08","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C29 H41 B2 F3 N2 O3 S -","- C29 H41 B2 F3 N2 O3 S -","- C116 H164 B8 F12 N8 O12 S4 -","4","0.5","","Hering-Junghans, Christian; Watson, Ian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Organocatalytic hydroborylation promoted by N-heterocyclic olefins","Dalton Trans.","2017","","","","","10.1039/C7DT01303E","","","1.54178","CuKα","","0.0823","0.0759","","","0.2217","0.2293","","","","","","1.057","","","","has coordinates,has disorder","196719","2020-10-21","18:00:00",""
"7043049","17.3114","0.0019","14.2963","0.0019","5.2538","0.0006","90","","90","","90","","1300.3","0.3","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Co(CO3)(MeIm)2.2H2O","","- C9 H16 Co N4 O5 -","- C9 H16 Co N4 O5 -","- C36 H64 Co4 N16 O20 -","4","0.5","","Vaid, Thomas; Kelley, Steven Paul; Rogers, Robin D.","Metal Carbonate Complexes Formed Through the Capture of Ambient O2 and CO2 by Elemental Metals in 1-methylimidazole: Molecular Cu(CO3)(MeIm)3 and Polymeric M(CO3)(MeIm)2·2H2O (M = Co, Zn)","Dalton Trans.","2017","","","","","10.1039/C7DT01787A","","","0.71073","MoKα","","0.0447","0.0306","","","0.0814","0.0871","","","","","","1.036","","","","has coordinates","196814","2020-10-21","18:00:00",""
"7043050","17.309","0.002","14.231","0.0016","5.2931","0.0006","90","","90","","90","","1303.8","0.3","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Zn(CO3)(MeIm)2.2H2O","","- C9 H16 N4 O5 Zn -","- C9 H16 N4 O5 Zn -","- C36 H64 N16 O20 Zn4 -","4","0.5","","Vaid, Thomas; Kelley, Steven Paul; Rogers, Robin D.","Metal Carbonate Complexes Formed Through the Capture of Ambient O2 and CO2 by Elemental Metals in 1-methylimidazole: Molecular Cu(CO3)(MeIm)3 and Polymeric M(CO3)(MeIm)2·2H2O (M = Co, Zn)","Dalton Trans.","2017","","","","","10.1039/C7DT01787A","","","1.54178","CuKα","","0.0483","0.0431","","","0.1095","0.1137","","","","","","1.121","","","","has coordinates","196814","2020-10-21","18:00:00",""
"7043189","12.981","0.003","13.452","0.003","9.685","0.0013","90","","90","","90","","1691.2","0.6","90","2","90","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","[Cp*Ir(NH(CH2)3CH2CH2)(Cl)2]","","- C15 H26 Cl2 Ir N -","- C15 H26 Cl2 Ir N -","- C60 H104 Cl8 Ir4 N4 -","4","0.5","","Drover, Marcus W.; Schafer, Laurel L.; Love, Jennifer","Dehydrogenation of Cyclic Amines by a Coordinatively Unsaturated Cp*Ir(III) Phosphoramidate Complex","Dalton Trans.","2017","","","","","10.1039/C7DT01499F","","","0.71073","MoKα","","0.0447","0.032","","","0.063","0.0675","","","","","","1.035","","","","has coordinates","197141","2020-10-21","18:00:00",""
"7043361","16.833","0.005","21.33","0.006","7.869","0.002","90","","90","","90","","2825.3","1.4","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C32 H22 Cr O4 P2 S -","- C32 H22 Cr O4 P2 S -","- C128 H88 Cr4 O16 P8 S4 -","4","0.5","","Zhang, Chengye; Song, Liubing; Wu, Hongfei; Ji, Xiaoyu; Jiao, Jiajun; Zhang, Jun","Ethylene tri-/tetramerization catalysts supported by diphosphinothiophene ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01060E","","","0.71073","MoKα","","0.0833","0.0443","","","0.0982","0.1147","","","","","","1.008","","","","has coordinates","197903","2020-10-21","18:00:00",""
"7043362","16.801","0.007","21.284","0.009","7.993","0.004","90","","90","","90","","2858","2","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C32 H22 Cr O4 P2 S -","- C32 H22 Cr O4 P2 S -","- C128 H88 Cr4 O16 P8 S4 -","4","0.5","","Zhang, Chengye; Song, Liubing; Wu, Hongfei; Ji, Xiaoyu; Jiao, Jiajun; Zhang, Jun","Ethylene tri-/tetramerization catalysts supported by diphosphinothiophene ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01060E","","","0.71073","MoKα","","0.0816","0.0423","","","0.0782","0.0829","","","","","","0.83","","","","has coordinates,has disorder","197903","2020-10-21","18:00:00",""
"7043514","20.059","0.005","12.787","0.003","12.502","0.003","90","","90","","90","","3206.7","1.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13 H5 Fe2 K O7 S -","- C13 H5 Fe2 K O7 S -","- C104 H40 Fe16 K8 O56 S8 -","8","1","","Shupp, J. Patrick; Rose, Amber R.; Rose, Michael J.","Synthesis and interconversions of reduced, alkali‒metal supported iron‒sulfur‒carbonyl complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01506B","","","0.71075","MoKα","","0.0529","0.0411","","","0.0975","0.1046","","","","","","1.036","","","","has coordinates","198448","2020-10-21","18:00:00",""
"7043525","15.76","0.01","7.43","0.01","18.38","0.01","90","","90","","90","","2152","3","","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cr F4 K -","- Cr F4 K -","- Cr24 F96 K24 -","24","3","","Dewan, John C.; Edwards, Anthony J.; Guy, John J.","Structural studies of potassium tetrafluorochromate(III), K[CrF4], and the novel mixed chloride fluoride, dipotassium dichlorohexafluorotrichromate(II), K2[Cr3Cl2F6]","Journal of the Chemical Society, Dalton Transactions","1986","","12","2623","2627","","","x-ray","0.71069","MoKα","","","0.041","","","0.056","","","","","","","","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7043632","22.729","0.003","17.2262","0.0018","8.1747","0.0012","90","","90","","90","","3200.7","0.7","113","2","113.15","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C29 H29 Br2 Cl2 N Ni O2 P2 -","- C29 H29 Br2 Cl2 N Ni O2 P2 -","- C116 H116 Br8 Cl8 N4 Ni4 O8 P8 -","4","0.5","","Song, Li-Cheng; Han, Xiao-Feng; Chen, Wei; Li, Jia-Peng; Wang, Xu-Yong","Dithiolato- and halogenido-bridged nickel-iron complexes related to the active site of [NiFe]-H2ases: preparation, structures, and electrocatalytic H2 production","Dalton Trans.","2017","","","","","10.1039/C7DT02203D","","","0.71073","MoKα","","0.0464","0.042","","","0.105","0.108","","","","","","1.102","","","","has coordinates,has disorder","198743","2020-10-21","18:00:00",""
"7043830","8.9882","0.0005","3.8726","0.0002","9.8376","0.0006","90","","90","","90","","342.42","0.03","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","thorium dicopper(I) diphosphide","","","- Cu2 P2 Th -","- Cu2 P2 Th -","- Cu8 P8 Th4 -","4","0.5","","JIN, GENG BANG; Malliakas, Christos D.; Lin, Jian","Thorium Copper Phosphides: More Diverse Metal‒Phosphorus and Phosphorus‒Phosphorus Interactions than U analogues","Dalton Trans.","2017","","","","","10.1039/C7DT02145C","","","0.71073","MoKα","","0.0147","0.0144","","","0.035","0.0351","","","","","","1.271","","","","has coordinates","199360","2020-10-21","18:00:00",""
"7043831","12.7255","0.0004","3.8766","0.0001","10.8422","0.0004","90","","90","","90","","534.86","0.03","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","thorium pentacopper(I) triphosphide","","","- Cu5 P3 Th -","- Cu5 P3 Th -","- Cu20 P12 Th4 -","4","0.5","","JIN, GENG BANG; Malliakas, Christos D.; Lin, Jian","Thorium Copper Phosphides: More Diverse Metal‒Phosphorus and Phosphorus‒Phosphorus Interactions than U analogues","Dalton Trans.","2017","","","","","10.1039/C7DT02145C","","","0.71073","MoKα","","0.0116","0.0113","","","0.029","0.0292","","","","","","1.23","","","","has coordinates","199360","2020-10-21","18:00:00",""
"7044042","20.396","0.003","44.791","0.007","11.0745","0.0018","90","","90","","90","","10117","3","180","2","180","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C52 H76 Mg2 O6 -","- C52 H76 Mg2 O6 -","- C416 H608 Mg16 O48 -","8","1","","Nifant'ev, Ilya E.; Shlyahtin, Andrei V.; Bagrov, Vladimir V.; Minyaev, Mikhail M.; Churakov, Andrei; Karchevsky, Stanislav G.; Birin, Kirill P.; Ivchenko, Pavel V.","Mono-BHT heteroleptic magnesium complexes: synthesis, molecular structure and catalytic behavior in the ring-opening polymerization of cyclic esters","Dalton Trans.","2017","","","","","10.1039/C7DT02469J","","","0.71073","MoKα","","0.0832","0.0628","","","0.1644","0.1802","","","","","","1.03","","","","has coordinates,has disorder","199999","2020-10-21","18:00:00",""
"7044058","10.6831","0.0005","40.3319","0.0015","22.6181","0.001","90","","90","","90","","9745.5","0.7","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C53.5 H35.5 Mg1.17 N3.5 O12 Zn1.83 -","- C53.5 H35.5 Mg1.166 N3.5 O12 Zn1.834 -","- C428 H284 Mg9.328 N28 O96 Zn14.672 -","8","1","","Wu, Zhao-Feng; Huang, Xiao-ying","A series of Mg-Zn heterometallic coordination polymers: Synthesis, characterization and fluorescence sensing for Fe3+, CS2 and nitroaromatic compounds","Dalton Trans.","2017","","","","","10.1039/C7DT02800H","","","0.71073","MoKα","","0.1195","0.0617","","","0.1396","0.1669","","","","","","1.005","","","","has coordinates,has disorder","200017","2020-10-21","18:00:00",""
"7044064","32.146","","21.846","","15.001","","90","","90","","90","","10534.6","","172","","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22.5 H30 Mo9 N3 O32.5 S -","- C22.5 H30 Mo9 N3 O32.5 S -","- C180 H240 Mo72 N24 O260 S8 -","8","1","","Tsunashima, Ryo; Nakamura, Ippei; Oue, Rika; Koga, Seiya; Oki, Hirofumi; Nakamura, Takayoshi; Noro, Shin-ichiro; Akutagawa, Tomoyuki","Inter-cluster Distance Dependence of Electrical Properties in Single Crystals of a Mixed-valence Polyoxometalate","Dalton Trans.","2017","","","","","10.1039/C7DT02623D","","","0.7107","MoKα","","0.1726","0.1368","","","0.3015","0.333","","","","","","1.419","","","","has coordinates","200048","2020-10-21","18:00:00",""
"7044113","8.565","0.0009","11.642","0.0012","7.8673","0.0008","90","","90","","90","","784.48","0.14","393","2","393","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H8 Co N2 O6 -","- C3 H8 Co N2 O6 -","- C12 H32 Co4 N8 O24 -","4","0.5","","Gunatilleke, Wilarachchige D. C. Bhagya; Wei, Kaya; Niu, Zheng; Wojtas, Lukasz; Ma, Shengqian; Nolas, George S.","Thermal Conductivity of Perovskite-type Metal-Organic Framework Crystal","Dalton Trans.","2017","","","","","10.1039/C7DT02927F","","","1.54178","CuKα","","0.0353","0.0263","","","0.0601","0.0655","","","","","","1.114","","","","has coordinates,has disorder","200194","2020-10-21","18:00:00",""
"7044115","8.5725","0.0002","11.6308","0.0003","7.8437","0.0002","90","","90","","90","","782.06","0.03","353","2","353","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H8 Co N2 O6 -","- C3 H8 Co N2 O6 -","- C12 H32 Co4 N8 O24 -","4","0.5","","Gunatilleke, Wilarachchige D. C. Bhagya; Wei, Kaya; Niu, Zheng; Wojtas, Lukasz; Ma, Shengqian; Nolas, George S.","Thermal Conductivity of Perovskite-type Metal-Organic Framework Crystal","Dalton Trans.","2017","","","","","10.1039/C7DT02927F","","","1.54178","CuKα","","0.0346","0.0278","","","0.0639","0.0676","","","","","","1.132","","","","has coordinates,has disorder","200194","2020-10-21","18:00:00",""
"7044220","16.961","0.011","13.755","0.006","6.589","0.003","90","","90","","90","","1537.2","1.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[Mo(allyl)(N3)(bpy)(CO)2]","","","- C15 H13 Mo N5 O2 -","- C15 H13 Mo N5 O2 -","- C60 H52 Mo4 N20 O8 -","4","0.5","","Schmid, Paul; Maier, Matthias; Pfeiffer, Hendrik; Belz, Anja; Henry, Lucas; Friedrich, Alexandra; Schönfeld, Fabian; Edkins, Katharina; Schatzschneider, Ulrich","Catalyst-free room-temperature iClick reaction of molybdenum(II) and tungsten(II) azide complexes with electron-poor alkynes: Structural preferences and kinetic studies","Dalton Trans.","2017","","","","","10.1039/C7DT03096G","","","0.71073","MoKα","","0.0332","0.0237","","","0.0555","0.0596","","","","","","1.035","","","","has coordinates","200875","2020-10-21","18:00:00",""
"7044223","16.83","0.03","13.769","0.017","6.602","0.008","90","","90","","90","","1530","4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[W(allyl)(N3)(bpy)(CO)2]","","","- C15 H13 N5 O2 W -","- C15 H13 N5 O2 W -","- C60 H52 N20 O8 W4 -","4","0.5","","Schmid, Paul; Maier, Matthias; Pfeiffer, Hendrik; Belz, Anja; Henry, Lucas; Friedrich, Alexandra; Schönfeld, Fabian; Edkins, Katharina; Schatzschneider, Ulrich","Catalyst-free room-temperature iClick reaction of molybdenum(II) and tungsten(II) azide complexes with electron-poor alkynes: Structural preferences and kinetic studies","Dalton Trans.","2017","","","","","10.1039/C7DT03096G","","","0.71073","MoKα","","0.0352","0.022","","","0.0452","0.0501","","","","","","1.02","","","","has coordinates","200875","2020-10-21","18:00:00",""
"7044318","9.921","0.009","3.372","0.003","9.469","0.008","90","","90","","90","","316.8","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B Cd O4 Sc -","- B Cd0.9995 O4 Sc1.0005 -","- B4 Cd3.998 O16 Sc4.002 -","4","0.5","","Ma, Ruru; Xu, Dongdong; Yang, Yun; Su, Xin; Lei, Bing-Hua; Yang, Zhihua; Pan, ShiLie","ScMO(BO3) (M = Ca, Cd)：New Sc-based oxyborates featuring interesting edge-sharing sandwich-like chains and UV cut-off edges","Dalton Trans.","2017","","","","","10.1039/C7DT03172F","","","0.71073","MoKα","","0.0302","0.0258","","","0.0637","0.0788","","","","","","1.263","","","","has coordinates","201250","2020-10-21","18:00:00",""
"7044319","10.283","0.004","3.3636","0.0013","9.432","0.004","90","","90","","90","","326.2","0.2","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B Ca O4 Sc -","- B Ca O4 Sc -","- B4 Ca4 O16 Sc4 -","4","0.5","","Ma, Ruru; Xu, Dongdong; Yang, Yun; Su, Xin; Lei, Bing-Hua; Yang, Zhihua; Pan, ShiLie","ScMO(BO3) (M = Ca, Cd)：New Sc-based oxyborates featuring interesting edge-sharing sandwich-like chains and UV cut-off edges","Dalton Trans.","2017","","","","","10.1039/C7DT03172F","","","0.71073","MoKα","","0.018","0.0152","","","0.046","0.048","","","","","","1.174","","","","has coordinates","201250","2020-10-21","18:00:00",""
"7044390","12.386","0.005","24.173","0.011","8.872","0.004","90","","90","","90","","2656","2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba7 S13 Sn3 -","- Ba6.96 S13 Sn3 -","- Ba27.84 S52 Sn12 -","4","0.5","","Duan, Rui-Huan Huan; Liu, Peng-Fei; Lin, Hua; Huang-Fu, Shang-Xiong; Wu, Li-Ming","Syntheses and characterization of three new sulfides with large band gaps: acentric Ba4Ga4SnS12, centric Ba12Sn4S23 and Ba7Sn3S13","Dalton Trans.","2017","","","","","10.1039/C7DT03267F","","","0.71073","MoKα","","0.0578","0.0459","","","0.097","0.1377","","","","","","1.082","","","","has coordinates","201576","2020-10-21","18:00:00",""
"7044562","21.8235","0.001","20.4867","0.0008","10.6023","0.0005","90","","90","","90","","4740.2","0.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C49 H77 La N2 O5 -","- C49 H77 La N2 O5 -","- C196 H308 La4 N8 O20 -","4","0.5","","Ouyang, Hao; Nie, Kun; Yuan, Dan; Yao, Yingming","Synthesis of amine-bridged bis(phenolate) rare-earth metal aryloxides and their catalytic performances for the ring-opening polymerization of L-lactic acid O-carboxyanhydride and L-lactide","Dalton Trans.","2017","","","","","10.1039/C7DT03001K","","","0.71073","MoKα","","0.0399","0.0266","","","0.0553","0.0625","","","","","","1.072","","","","has coordinates","202370","2020-10-21","18:00:00",""
"7044693","7.8984","0.0012","20.324","0.003","13.907","0.002","90","","90","","90","","2232.5","0.6","299","2","299","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H23 Eu O7 -","- C24 H21.562 Eu O7 -","- C96 H86.248 Eu4 O28 -","4","0.5","","Li, Zhongyi; Xu, Ya-Lan; Zhang, Xiangfei; Zhai, Bin; Zhang, Fuli; Zhang, Jian-Jun; Zhang, Chi; Li, Suzhi; Cao, Guangxiu","Four one-dimensional lanthanide-phenylacetate polymers exhibiting luminescence and magnetic cooling/spin-glass behavior","Dalton Transactions","2017","","","","","10.1039/C7DT03562D","","","0.71073","MoKα","","0.0238","0.0194","","","0.0448","0.0469","","","","","","1.044","","","","has coordinates,has disorder","202938","2020-10-21","18:00:00",""
"7044694","7.8711","0.0002","20.3008","0.0006","13.8754","0.0004","90","","90","","90","","2217.14","0.11","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H23 Gd O7 -","- C24 H20 Gd O7 -","- C96 H80 Gd4 O28 -","4","0.5","","Li, Zhongyi; Xu, Ya-Lan; Zhang, Xiangfei; Zhai, Bin; Zhang, Fuli; Zhang, Jian-Jun; Zhang, Chi; Li, Suzhi; Cao, Guangxiu","Four one-dimensional lanthanide-phenylacetate polymers exhibiting luminescence and magnetic cooling/spin-glass behavior","Dalton Transactions","2017","","","","","10.1039/C7DT03562D","","","0.71073","MoKα","","0.0313","0.0213","","","0.0454","0.0493","","","","","","1.03","","","","has coordinates,has disorder","202938","2020-10-21","18:00:00",""
"7044695","7.8673","0.0003","20.305","0.0009","13.8787","0.0006","90","","90","","90","","2217.06","0.16","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H23 Dy O7 -","- C24 H20 Dy O7 -","- C96 H80 Dy4 O28 -","4","0.5","","Li, Zhongyi; Xu, Ya-Lan; Zhang, Xiangfei; Zhai, Bin; Zhang, Fuli; Zhang, Jian-Jun; Zhang, Chi; Li, Suzhi; Cao, Guangxiu","Four one-dimensional lanthanide-phenylacetate polymers exhibiting luminescence and magnetic cooling/spin-glass behavior","Dalton Transactions","2017","","","","","10.1039/C7DT03562D","","","0.71073","MoKα","","0.0236","0.0212","","","0.0652","0.0684","","","","","","1.036","","","","has coordinates,has disorder","202938","2020-10-21","18:00:00",""
"7044696","7.837","0.0003","20.3107","0.0008","13.8607","0.0005","90","","90","","90","","2206.28","0.14","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H23 O7 Tb -","- C24.228 H20 O7 Tb -","- C96.912 H80 O28 Tb4 -","4","0.5","","Li, Zhongyi; Xu, Ya-Lan; Zhang, Xiangfei; Zhai, Bin; Zhang, Fuli; Zhang, Jian-Jun; Zhang, Chi; Li, Suzhi; Cao, Guangxiu","Four one-dimensional lanthanide-phenylacetate polymers exhibiting luminescence and magnetic cooling/spin-glass behavior","Dalton Transactions","2017","","","","","10.1039/C7DT03562D","","","0.71073","MoKα","","0.0313","0.0254","","","0.0605","0.0639","","","","","","1.037","","","","has coordinates,has disorder","202938","2020-10-21","18:00:00",""
"7044795","22.6952","0.0007","17.2196","0.0005","10.1931","0.0002","90","","90","","90","","3983.49","0.19","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H40 Dy N7 O17 Zn2 -","- C36 H40 Dy N7 O17 Zn2 -","- C144 H160 Dy4 N28 O68 Zn8 -","4","0.5","","Fondo, Matilde; Corredoira-Vázquez, Julio; Herrera-Lanzós, Antia; Garcia-Deibe, Ana M.; Sanmartin Matalobos, Jesus; Herrera, Juan Manuel; Colacio, Enrique; Nuñez, Cristina","Improving the SMM and luminescent properties of lanthanide complexes with LnO9 cores in the presence of ZnII: an emissive Zn2Dy single ion magnet","Dalton Transactions","2017","","","","","10.1039/C7DT03438E","","","0.71073","MoKα","","0.0745","0.0429","","","0.0694","0.0799","","","","","","1.068","","","","has coordinates,has disorder","203321","2020-10-21","18:00:00",""
"7044928","11.9462","0.0012","12.6983","0.0013","11.6365","0.0011","90","","90","","90","","1765.2","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H23 Cl N2 S Sn -","- C14 H23 Cl N2 S Sn -","- C56 H92 Cl4 N8 S4 Sn4 -","4","0.5","","Nakata, Norio; Hosoda, Narimi; Takahashi, Shintaro; Ishii, Akihiko","Chlorogermylenes and -stannylenes stabilized by diimidosulfinate ligands: synthesis, structures, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","481","490","10.1039/c7dt04390b","","","0.71073","MoKα","","0.0218","0.0197","","","0.0524","0.0534","","","","","","1.013","","","","has coordinates","229568","2020-10-21","18:00:00",""
"7045002","12.3031","0.0002","19.7158","0.0003","24.8166","0.0004","90","","90","","90","","6019.65","0.17","123","0.1","123","0.1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C22.5 H29 Cl2 Cu2 Fe N2 P5 -","- C22.5 H29 Cl2 Cu2 Fe N2 P5 -","- C180 H232 Cl16 Cu16 Fe8 N16 P40 -","8","1","","Elsayed Moussa, M.; Attenberger, B.; Peresypkina, E. V.; Scheer, M.","Neutral two-dimensional organometallic-organic hybrid polymers based on pentaphosphaferrocene, bipyridyl linkers and CuCl.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1014","1017","10.1039/c7dt04286h","","","1.54178","CuKα","","0.0344","0.0287","","","0.0694","0.0728","","","","","","1.026","","","","has coordinates,has disorder","229522","2020-10-21","18:00:00",""
"7045123","13.5719","0.0004","8.794","0.0003","6.0584","0.0002","90","","90","","90","","723.08","0.04","296","2","296.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H5 Cl In N O4 -","- C4 H5 Cl In N O4 -","- C8 H10 Cl2 In2 N2 O8 -","2","0.25","","Gomez, G. E.; D'vries, R. F.; Lionello, D. F.; Aguirre-Díaz, L M; Spinosa, M.; Costa, C. S.; Fuertes, M. C.; Pizarro, R. A.; Kaczmarek, A. M.; Ellena, J.; Rozes, L.; Iglesias, M.; Van Deun, R.; Sanchez, C.; Monge, M. A.; Soler-Illia, G J A A","Exploring physical and chemical properties in new multifunctional indium-, bismuth-, and zinc-based 1D and 2D coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1808","1818","10.1039/c7dt04287f","","x-ray","0.71073","MoKα","","0.014","0.0136","","","0.0358","0.036","","","","","","1.098","","","","has coordinates","229599","2020-10-21","18:00:00",""
"7045167","8.637","0.001","20.398","0.002","18.307","0.002","90","","90","","90","","3225.3","0.6","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H33 N O19 Zn3 -","- C28 H33 N O19 Zn3 -","- C112 H132 N4 O76 Zn12 -","4","0.5","","Yan, Yang-Tian; Zhang, Wen-Yan; Zhang, Fang; Cao, Feng; Yang, Rui-Feng; Wang, Yao-Yu; Hou, Lei","Four new metal-organic frameworks based on diverse secondary building units: sensing and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1682","1692","10.1039/c7dt04696k","","","0.71073","MoKα","","0.054","0.0521","","","0.1351","0.1371","","","","","","1.164","","","","has coordinates,has disorder","229474","2020-10-21","18:00:00",""
"7045344","8.3504","0.0003","14.0462","0.0008","19.2571","0.0006","90","","90","","90","","2258.69","0.17","130","2","130","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H16 Bi Br7 N2 -","- C13 H16 Bi Br7 N2 -","- C52 H64 Bi4 Br28 N8 -","4","0.5","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Bromine-rich complexes of bismuth: experimental and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2683","2689","10.1039/c7dt04779g","","x-ray","0.71073","MoKα","","0.0369","0.0264","","","0.0488","0.0517","","","","","","1.087","","","","has coordinates","229395","2020-10-21","18:00:00",""
"7045350","17.9405","0.0003","24.5421","0.0004","14.0694","0.0002","90","","90","","90","","6194.72","0.17","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C60 H18 B2 F40 Fe N6 -","- C60 H18 B2 F40 Fe N6 -","- C240 H72 B8 F160 Fe4 N24 -","4","0.5","","Musgrave, Rebecca Alice; Hailes, Rebekah; Schäfer, André; Russell, Andrew David; Gates, Paul Jonathan; Manners, Ian","New Reactivity at the Silicon Bridge in Sila[1]ferrocenophanes","Dalton Transactions","2018","","","","","10.1039/C7DT04593J","","","0.71073","MoKα","","0.0388","0.0298","","","0.0673","0.0713","","","","","","1.038","","","","has coordinates,has disorder","205519","2020-10-21","18:00:00",""
"7045590","12.8295","0.0009","21.6973","0.0015","10.3071","0.0007","90","","90","","90","","2869.1","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C26 H36 Cl4 N2 Nb -","- C26 H36 Cl4 N2 Nb -","- C104 H144 Cl16 N8 Nb4 -","4","0.5","","Bartalucci, Niccolò; Bortoluzzi, Marco; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano; Marchetti, Fabio","Stable coordination complexes of α-diimines with Nb(v) and Ta(v) halides.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3346","3355","10.1039/c8dt00122g","","","0.71073","MoKα","","0.0364","0.0321","","","0.0814","0.0842","","","","","","1.077","","","","has coordinates","229252","2020-10-21","18:00:00",""
"7045592","12.5172","0.0008","21.3437","0.0014","10.4112","0.0006","90","","90","","90","","2781.5","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H36 Cl3 N2 Nb O -","- C26 H36 Cl3 N2 Nb O -","- C104 H144 Cl12 N8 Nb4 O4 -","4","0.5","","Bartalucci, Niccolò; Bortoluzzi, Marco; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano; Marchetti, Fabio","Stable coordination complexes of α-diimines with Nb(v) and Ta(v) halides.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3346","3355","10.1039/c8dt00122g","","","0.71073","MoKα","","0.07","0.0475","","","0.1064","0.125","","","","","","1.093","","","","has coordinates,has disorder","229252","2020-10-21","18:00:00",""
"7045633","23.2636","0.0005","25.7313","0.0005","16.0339","0.0004","90","","90","","90","","9597.9","0.4","122.99","0.1","122.99","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C110 H130 Fe2 Na2 O5 P4 -","- C110 H130 Fe2 Na2 O5 P4 -","- C440 H520 Fe8 Na8 O20 P16 -","4","0.5","","Chakraborty, Uttam; Leitl, Julia; Mühldorf, Bernd; Bodensteiner, Michael; Pelties, Stefan; Wolf, Robert","Mono- and dinuclear tetraphosphabutadiene ferrate anions.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3693","3697","10.1039/c7dt04641c","","x-ray","0.71073","MoKα","","0.0746","0.0615","","","0.1405","0.1455","","","","","","1.209","","","","has coordinates,has disorder","229996","2020-10-21","18:00:00",""
"7045634","23.4789","0.0003","24.395","0.0002","16.5309","0.0002","90","","90","","90","","9468.37","0.18","123.01","0.1","123.01","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C101.69 H110.94 Fe2 Na O2.81 P4 -","- C101.678 H110.924 Fe2 Na O2.811 P4 -","- C406.713 H443.696 Fe8 Na4 O11.244 P16 -","4","0.5","","Chakraborty, Uttam; Leitl, Julia; Mühldorf, Bernd; Bodensteiner, Michael; Pelties, Stefan; Wolf, Robert","Mono- and dinuclear tetraphosphabutadiene ferrate anions.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3693","3697","10.1039/c7dt04641c","","x-ray","1.54184","CuKα","","0.0953","0.0836","","","0.2624","0.2756","","","","","","1.045","","","","has coordinates,has disorder","229996","2020-10-21","18:00:00",""
"7045642","21.774","0.003","21.338","0.003","10.5392","0.0013","90","","90","","90","","4896.7","1.1","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C48 H69 Cl2 Li N2 O4 Zn -","- C48 H69 Cl2 Li N2 O4 Zn -","- C192 H276 Cl8 Li4 N8 O16 Zn4 -","4","0.5","","Nguyen, Minh Tho; Gabidullin, Bulat; Nikonov, Georgii I.","Neutral and anionic zinc compounds supported by a bis(imino)phenyl NCN ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4607","4612","10.1039/c8dt00149a","","","0.71073","MoKα","","0.0911","0.0539","","","0.1413","0.1718","","","","","","1.028","","","","has coordinates,has disorder","229755","2020-10-21","18:00:00",""
"7045744","19.9959","0.0011","8.1241","0.0005","10.0188","0.0006","90","","90","","90","","1627.54","0.17","273","2","273","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C11 H12 Cu F9 N2 O -","- C11 H12 Cu F9 N2 O -","- C44 H48 Cu4 F36 N8 O4 -","4","0.5","","Zhang, Song-Lin; Xiao, Chang; Wan, Hai-Xing","Diverse copper(iii) trifluoromethyl complexes with mono-, bi- and tridentate ligands and their versatile reactivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4779","4784","10.1039/c8dt00291f","","","0.71073","MoKα","","0.051","0.0442","","","0.1393","0.1435","","","","","","1.109","","","","has coordinates","229775","2020-10-21","18:00:00",""
"7045799","16.861","0.003","15.985","0.003","6.186","0.001","90","","90","","90","","1667.3","0.5","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H27 Au B2 Cl N -","- C12 H27 Au B2 Cl N -","- C48 H108 Au4 B8 Cl4 N4 -","4","0.5","","Shang, Rong; Saito, Souta; Jimenez-Halla, J Oscar C; Yamamoto, Yohsuke","Facile reactions of gold(i) complexes with tri(tert-butyl)azadiboriridine.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5181","5188","10.1039/c8dt00697k","","","0.71073","MoKα","","0.0311","0.0255","","","0.0536","0.0554","","","","","","1.102","","","","has coordinates","229857","2020-10-21","18:00:00",""
"7045890","11.3016","0.0018","10.0982","0.0016","12.4665","0.0019","90","","90","","90","","1422.7","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H17 Cl4 N2 Zn -","- C8 H17 Cl4 N2 Zn -","- C32 H68 Cl16 N8 Zn4 -","4","0.5","","Ji, Qin; Li, Linhai; Deng, Siyu; Cao, Xingxing; Chen, Lizhuang","High switchable dielectric phase transition originating from distortion in inorganic-organic hybrid materials (H<sub>2</sub>dabco-C<sub>2</sub>H<sub>5</sub>) [M<sup>II</sup>Cl<sub>4</sub>] (M = Co, Zn).","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5630","5638","10.1039/c8dt00623g","","","0.71073","MoKα","","0.081","0.0598","","","0.172","0.1904","","","","","","1.073","","","","has coordinates","229620","2020-10-21","18:00:00",""
"7045892","11.264","0.0017","10.0243","0.0016","12.4055","0.0017","90","","90","","90","","1400.8","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H17 Cl4 Co N2 -","- C8 H17 Cl4 Co N2 -","- C32 H68 Cl16 Co4 N8 -","4","0.5","","Ji, Qin; Li, Linhai; Deng, Siyu; Cao, Xingxing; Chen, Lizhuang","High switchable dielectric phase transition originating from distortion in inorganic-organic hybrid materials (H<sub>2</sub>dabco-C<sub>2</sub>H<sub>5</sub>) [M<sup>II</sup>Cl<sub>4</sub>] (M = Co, Zn).","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5630","5638","10.1039/c8dt00623g","","","0.71073","MoKα","","0.0713","0.053","","","0.1289","0.1399","","","","","","1.14","","","","has coordinates","229620","2020-10-21","18:00:00",""
"7045947","7.7413","0.0004","11.8768","0.0006","14.9725","0.0006","90","","90","","90","","1376.6","0.11","235","2","235","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H22 B2 N2 O2 -","- C10 H22 B2 N2 O2 -","- C40 H88 B8 N8 O8 -","4","0.5","","Oschmann, W.; Borner, C.; Kleeberg, C.","Unsymmetrical diborane(4) derivatives by copper mediated B-B coupling.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5318","5327","10.1039/c8dt00627j","","","0.71073","MoKα","","0.055","0.0479","","","0.1311","0.1369","","","","","","1.103","","","","has coordinates","229848","2020-10-21","18:00:00",""
"7045951","10.7065","0.0004","16.6057","0.0006","10.7503","0.0004","90","","90","","90","","1911.28","0.12","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H34 B2 N2 O2 -","- C16 H34 B2 N2 O2 -","- C64 H136 B8 N8 O8 -","4","0.5","","Oschmann, W.; Borner, C.; Kleeberg, C.","Unsymmetrical diborane(4) derivatives by copper mediated B-B coupling.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5318","5327","10.1039/c8dt00627j","","","0.71073","MoKα","","0.0667","0.0569","","","0.1465","0.1528","","","","","","1.065","","","","has coordinates,has disorder","229848","2020-10-21","18:00:00",""
"7045970","12.156","0.013","9.164","0.01","16.939","0.019","90","","90","","90","","1887","4","353","2","353","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H22 Cl6 Co N2 -","- C8 H22 Cl6 Co N2 -","- C32 H88 Cl24 Co4 N8 -","4","0.5","","Hua, Xiu-Ni; Huang, Chao-Ran; Gao, Ji-Xing; Lu, Yang; Chen, Xiao-Gang; Liao, Wei-Qiang","High-temperature reversible phase transitions and exceptional dielectric anomalies in cobalt(ii) based ionic crystals: [Me<sub>3</sub>NCH<sub>2</sub>X]<sub>2</sub>[CoX<sub>4</sub>] (X = Cl and Br).","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6218","6224","10.1039/c8dt00786a","","","0.71073","MoKα","","0.2006","0.1375","","","0.2217","0.2583","","","","","","1.023","","","","has coordinates,has disorder","229549","2020-10-21","18:00:00",""
"7046058","18.2193","0.0012","14.0581","0.0007","9.3097","0.0006","90","","90","","90","","2384.5","0.2","223","2","223","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H40 Fe P2 -","- C19.988 H39.978 Fe P2 -","- C79.952 H159.912 Fe4 P8 -","4","0.5","","Cundari, Thomas R.; Jacobs, Brian P.; MacMillan, Samantha N.; Wolczanski, Peter T.","Dispersion forces play a role in (Me<sub>2</sub>IPr)Fe([double bond, length as m-dash]NAd)R<sub>2</sub> (Ad = adamantyl; R = <sup>neo</sup>Pe, 1-nor) insertions and Fe-R bond dissociation enthalpies (BDEs).","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6025","6030","10.1039/c7dt04145d","","","0.71073","MoKα","","0.0467","0.041","","","0.1212","0.1282","","","","","","1.082","","","","has coordinates,has disorder","229543","2020-10-21","18:00:00",""
"7046214","32.9353","0.0019","16.1293","0.0011","12.7402","0.0008","90","","90","","90","","6767.9","0.7","296","","296","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C25 H32 B2 N14 O4 Ru2 -","- C25 H23 B2 N14 O4 Ru2 -","- C200 H184 B16 N112 O32 Ru16 -","8","1","","Arikawa, Yasuhiro; Hiura, Junko; Tsuchii, Chika; Kodama, Mika; Matsumoto, Naoki; Umakoshi, Keisuke","Synthetic NO reduction cycle on a bis(pyrazolato)-bridged dinuclear ruthenium complex including photo-induced transformation","Dalton Transactions","2018","","","","","10.1039/C8DT01208C","","","0.7107","MoKα","","0.1082","0.1053","","","0.1617","0.1627","","","","","","1.419","","","","has coordinates","207621","2020-10-21","18:00:00",""
"7046216","16.337","0.003","17.461","0.003","14.116","0.003","90","","90","","90","","4026.7","1.3","93","","93","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C24 H26 B4 F8 N18 O2 Ru2 -","- C24 H26 B4 F8 N18 O2 Ru2 -","- C96 H104 B16 F32 N72 O8 Ru8 -","4","0.5","","Arikawa, Yasuhiro; Hiura, Junko; Tsuchii, Chika; Kodama, Mika; Matsumoto, Naoki; Umakoshi, Keisuke","Synthetic NO reduction cycle on a bis(pyrazolato)-bridged dinuclear ruthenium complex including photo-induced transformation","Dalton Transactions","2018","","","","","10.1039/C8DT01208C","","","0.71075","MoKα","","0.0849","0.0705","","","0.1592","0.168","","","","","","1.126","","","","has coordinates","207621","2020-10-21","18:00:00",""
"7046311","14.459","0.0006","9.83","0.0004","15.3574","0.0006","90","","90","","90","","2182.78","0.15","100","1","100","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C17 H26 B Be I N6 O2 -","- C17 H26 B Be I N6 O2 -","- C68 H104 B4 Be4 I4 N24 O8 -","4","0.5","","Naglav, Dominik; Tobey, Briac; Dzialkowski, Kevin; Bläser, Dieter; Wölper, Christoph; Jansen, Georg; Schulz, Stephan","Solvent-induced ion separation of a beryllium scorpionate complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12511","12515","10.1039/c8dt01640b","","","0.71073","MoKα","","0.0463","0.0343","","","0.0711","0.0743","","","","","","1.19","","","","has coordinates,has disorder","229929","2020-10-21","18:00:00",""
"7046357","7.3813","0.0015","23.846","0.005","18.81","0.004","90","","90","","90","","3310.8","1.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H31 Na O18 Zn2 -","- C29 H31 Na O18 Zn2 -","- C116 H124 Na4 O72 Zn8 -","4","0.5","","Liu, Lei-Lei; Yu, You-Zhu; Zhao, Xue-Jing; Wang, Ya-Ru; Cheng, Fei-Yang; Zhang, Meng-Ke; Shu, Jing-Jing; Liu, Lin","A robust Zn(ii)/Na(i)-MOF decorated with [(OAc)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]<sub>n</sub><sup>2n-</sup> anions for the luminescence sensing of copper ions based on the inner filter effect.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7787","7794","10.1039/c8dt00908b","","","0.71073","MoKα","","0.0359","0.0317","","","0.0878","0.0915","","","","","","1.032","","","","has coordinates","229890","2020-10-21","18:00:00",""
"7046673","10.5921","0.001","20.293","0.002","28.55","0.003","90","","90","","90","","6136.7","1.1","296","2","296.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H56 Mn Mo12 N5 O66 Te2 -","- C3 Mn Mo12 O48 Te2 -","- C12 Mn4 Mo48 O192 Te8 -","4","0.5","","Zhang, Panpan; Singh, Vikram; Jia, Jiage; Zhang, Dongdi; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Organometallic functionalized non-classical polyoxometalates: synthesis, characterization and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9317","9323","10.1039/c8dt01712c","","","0.71073","MoKα","","0.0325","0.0266","","","0.0609","0.0628","","","","","","1.02","","","","has coordinates","229203","2020-10-21","18:00:00",""
"7046989","11.6832","0.0005","17.3962","0.001","13.8225","0.0008","90","","90","","90","","2809.3","0.3","102","2","102","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C25 H40 Al Cl N2 S Si2 -","- C25 H40 Al Cl N2 S Si2 -","- C100 H160 Al4 Cl4 N8 S4 Si8 -","4","0.5","","Haider, Wasim; Huch, Volker; Schäfer, André","Lewis base complexes of sila[2]aluminocenophanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10425","10428","10.1039/c8dt02491j","","","0.71073","MoKα","","0.0477","0.0333","","","0.0769","0.084","","","","","","1.028","","","","has coordinates","229822","2020-10-21","18:00:00",""
"7046993","10.264","0.0003","13.0928","0.0004","8.2318","0.0002","90","","90","","90","","1106.23","0.05","123","","123","","","","","","","","see text","5","P n m a","-P 2ac 2n","62","","","","- C9 H18 N O3 Re -","- C9 H18 N O3 Re -","- C36 H72 N4 O12 Re4 -","4","0.5","","Dyckhoff, Florian; Li, Su; Reich, Robert M.; Hofmann, Benjamin J.; Herdtweck, Eberhardt; Kühn, Fritz E","Synthesis, characterization and application of organorhenium(vii) trioxides in metathesis reactions and epoxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9755","9764","10.1039/c8dt02326c","","x-ray","0.71073","MoKα","","0.0154","0.0138","","","0.029","0.0294","","","","","","1.106","","","","has coordinates","229186","2020-10-21","18:00:00",""
"7047722","15.1363","0.0002","15.7836","0.0002","14.456","0.0002","90","","90","","90","","3453.62","0.08","150","","150","","","","","","","","Research School of Chemistry","7","P n m a","-P 2ac 2n","62","","","","- C30 H49 B N6 O2 Sn W -","- C30 H49 B N6 O2 Sn W -","- C120 H196 B4 N24 O8 Sn4 W4 -","4","0.5","","Reinholdt, Anders; Bendix, Jesper; Hill, Anthony F.; Manzano, Richard A.","Confluence of disparate carbido chemistries: [WRuAu<sub>2</sub>(μ-C)<sub>2</sub>Cl<sub>2</sub>(CO)<sub>2</sub>(PCy<sub>3</sub>)<sub>2</sub>(Tp*)].","Dalton transactions (Cambridge, England : 2003)","2018","47","42","14893","14896","10.1039/c8dt03851a","","","1.54184","CuKα","","0.0697","0.0666","","0.1517","0.1488","0.1517","","","","","","0.9264","","","","has coordinates","229485","2020-10-21","18:00:00",""
"7047728","24.983","0.003","6.9452","0.0007","16.3797","0.0017","90","","90","","90","","2842.1","0.5","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H33 Cu N4 O -","- C29 H33 Cu N4 O -","- C116 H132 Cu4 N16 O4 -","4","0.5","","Alaji, Zahra; Safaei, Elham; Yi, Hong; Cong, Hengjiang; Wojtczak, Andrzej; Lei, Aiwen","Redox active ligand and metal cooperation for C(sp<sup>2</sup>)-H oxidation: extension of the galactose oxidase mechanism in water-mediated amide formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15293","15297","10.1039/c8dt03477j","","","0.71073","MoKα","","0.0812","0.0561","","","0.1476","0.1637","","","","","","1.043","","","","has coordinates","229446","2020-10-21","18:00:00",""
"7047753","22.77","0.02","21.68","0.02","14.279","0.016","90","","90","","90","","7049","12","180","2","180","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C64 H80 Li2 O13 S4 Ti2 -","- C64 H80 Li2 O13 S4 Ti2 -","- C256 H320 Li8 O52 S16 Ti8 -","4","0.5","","Fandos, Rosa; Bruña, Sonia; Hernández, Carolina; Otero, Antonio; Rodríguez, Ana; Ruiz, María José; Terreros, Pilar; Cuadrado, Isabel","Titanium thiosalicylate complexes: functional metalloligands for the construction of redox-active heterometallic architectures.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15391","15398","10.1039/c8dt02641f","","","0.71073","MoKα","","0.2977","0.0819","","","0.1987","0.2436","","","","","","0.669","","","","has coordinates,has disorder","229448","2020-10-21","18:00:00",""
"7047823","9.2659","0.0012","16.3431","0.0016","6.6326","0.0005","90","","90","","90","","1004.4","0.18","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B14 F4 Na6 O22 -","- B14 F4 Na6 O22 -","- B28 F8 Na12 O44 -","2","0.25","","Tang, Changcheng; Jiang, XingXing; Yin, Wenlong; Liu, Lijuan; Xia, Mingjun; Huang, Qian; Song, Gaomin; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian","Na<sub>3</sub>B<sub>7</sub>O<sub>11</sub>F<sub>2</sub>: a new sodium-rich fluorooxoborate with a unique [B<sub>14</sub>O<sub>24</sub>F<sub>4</sub>] ring and a short ultraviolet absorption edge.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","21","24","10.1039/c8dt03348j","","","0.71073","MoKα","","0.0514","0.0386","","","0.1081","0.1184","","","","","","1.052","","","","has coordinates","223943","2020-10-21","18:00:00",""
"7047864","19.595","0.002","8.8375","0.001","6.8748","0.0008","90","","90","","90","","1190.5","0.2","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al2 Ba2 Na2 S6 -","- Al2 Ba2 Na2 S6 -","- Al8 Ba8 Na8 S24 -","4","0.5","","Abudurusuli, Ailijiang; Wu, Kui; Rouzhahong, Yilimiranmu; Yang, Zhihua; Pan, Shilie","NaBaM<sup>III</sup>Q<sub>3</sub> (M<sup>III</sup> = Al, Ga; Q = S, Se): first quaternary chalcogenides with isolated edge-sharing (MQ<sub>6</sub>)<sup>6-</sup> dimers.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16044","16047","10.1039/c8dt04048f","","","0.71073","MoKα","","0.0305","0.0223","","","0.0441","0.0479","","","","","","1.055","","","","has coordinates","287753","2023-11-23","09:34:44",""
"7047865","19.63","0.02","8.851","0.009","6.869","0.007","90","","90","","90","","1193","2","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Ga2 Na2 S6 -","- Ba2 Ga2 Na2 S6 -","- Ba8 Ga8 Na8 S24 -","4","0.5","","Abudurusuli, Ailijiang; Wu, Kui; Rouzhahong, Yilimiranmu; Yang, Zhihua; Pan, Shilie","NaBaM<sup>III</sup>Q<sub>3</sub> (M<sup>III</sup> = Al, Ga; Q = S, Se): first quaternary chalcogenides with isolated edge-sharing (MQ<sub>6</sub>)<sup>6-</sup> dimers.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16044","16047","10.1039/c8dt04048f","","","0.71073","MoKα","","0.039","0.0286","","","0.0638","0.069","","","","","","1.033","","","","has coordinates","287753","2023-11-23","09:34:44",""
"7047866","20.461","0.013","9.177","0.006","7.177","0.004","90","","90","","90","","1347.6","1.4","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Ga2 Na2 Se6 -","- Ba2 Ga2 Na2 Se6 -","- Ba8 Ga8 Na8 Se24 -","4","0.5","","Abudurusuli, Ailijiang; Wu, Kui; Rouzhahong, Yilimiranmu; Yang, Zhihua; Pan, Shilie","NaBaM<sup>III</sup>Q<sub>3</sub> (M<sup>III</sup> = Al, Ga; Q = S, Se): first quaternary chalcogenides with isolated edge-sharing (MQ<sub>6</sub>)<sup>6-</sup> dimers.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16044","16047","10.1039/c8dt04048f","","","0.71073","MoKα","","0.0408","0.0271","","","0.0447","0.0487","","","","","","1.026","","","","has coordinates","287753","2023-11-23","09:34:44",""
"7047867","20.384","0.006","9.171","0.003","7.162","0.002","90","","90","","90","","1338.9","0.7","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al2 Ba2 Na2 Se6 -","- Al2 Ba2 Na2 Se6 -","- Al8 Ba8 Na8 Se24 -","4","0.5","","Abudurusuli, Ailijiang; Wu, Kui; Rouzhahong, Yilimiranmu; Yang, Zhihua; Pan, Shilie","NaBaM<sup>III</sup>Q<sub>3</sub> (M<sup>III</sup> = Al, Ga; Q = S, Se): first quaternary chalcogenides with isolated edge-sharing (MQ<sub>6</sub>)<sup>6-</sup> dimers.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16044","16047","10.1039/c8dt04048f","","","0.71073","MoKα","","0.0315","0.0232","","","0.0446","0.048","","","","","","1.029","","","","has coordinates","287753","2023-11-23","09:34:44",""
"7047908","14.9049","0.0004","8.066","0.0002","9.5902","0.0003","90","","90","","90","","1152.96","0.06","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 I3 N Pb -","- C5 H6 I3 N Pb -","- C20 H24 I12 N4 Pb4 -","4","0.5","","Selivanov, N. I.; Murashkina, A. A.; Kevorkyants, R.; Emeline, A. V.; Bahnemann, D. W.","Pyridinium lead tribromide and pyridinium lead triiodide: quasi-one-dimensional perovskites with an optically active aromatic π-system.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16313","16319","10.1039/c8dt03041c","","","0.71073","MoKα","","0.0337","0.0306","","","0.0717","0.0732","","","","","","1.136","","","","has coordinates,has disorder","229957","2020-10-21","18:00:00",""
"7047909","14.0045","0.0006","7.769","0.0004","9.178","0.0005","90","","90","","90","","998.58","0.09","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 Br3 N Pb -","- C5 H6 Br3 N Pb -","- C20 H24 Br12 N4 Pb4 -","4","0.5","","Selivanov, N. I.; Murashkina, A. A.; Kevorkyants, R.; Emeline, A. V.; Bahnemann, D. W.","Pyridinium lead tribromide and pyridinium lead triiodide: quasi-one-dimensional perovskites with an optically active aromatic π-system.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16313","16319","10.1039/c8dt03041c","","","0.71073","MoKα","","0.0696","0.0579","","","0.135","0.142","","","","","","1.171","","","","has coordinates,has disorder","229957","2020-10-21","18:00:00",""
"7048050","18.521","0.004","8.217","0.002","5.1493","0.0013","90","","90","","90","","783.7","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H7 As F5 N -","- C4 H7 As F5 N -","- C16 H28 As4 F20 N4 -","4","0.5","","Saal, Thomas; Christe, Karl O.; Haiges, Ralf","Lewis adduct formation of hydrogen cyanide and nitriles with arsenic and antimony pentafluoride.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","99","106","10.1039/c8dt03970d","","","0.71073","MoKα","","0.0795","0.0506","","","0.0702","0.0762","","","","","","1.137","","","","has coordinates,has disorder","223941","2020-10-21","18:00:00",""
"7048053","18.894","0.007","8.416","0.003","5.261","0.002","90","","90","","90","","836.6","0.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H7 F5 N Sb -","- C4 H7 F5 N Sb -","- C16 H28 F20 N4 Sb4 -","4","0.5","","Saal, Thomas; Christe, Karl O.; Haiges, Ralf","Lewis adduct formation of hydrogen cyanide and nitriles with arsenic and antimony pentafluoride.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","99","106","10.1039/c8dt03970d","","","0.71073","MoKα","","0.0239","0.0167","","","0.0335","0.0347","","","","","","1.058","","","","has coordinates,has disorder","223941","2020-10-21","18:00:00",""
"7048254","10.8002","0.0003","7.2707","0.0002","6.601","0.0002","90","","90","","90","","518.34","0.03","","","293","","","","100","","","","","3","P n m a","-P 2ac 2n","62","Potassium yttrium fluoride","","","- F5 K2 Y -","- F5 K2 Y -","- F20 K8 Y4 -","4","0.5","","Dabachi, Jamal; Body, Monique; Dittmer, Jens; Rakhmatullin, Aydar; Fayon, Franck; Legein, Christophe","Insight into the factors influencing NMR parameters in crystalline materials from the KF-YF<sub>3</sub> binary system.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","587","601","10.1039/c8dt03241f","","x-ray","1.5406","Cu","","","","","","","","","","","","","","","","","has coordinates","224137","2020-10-21","18:00:00",""
"7048255","12.26","0.003","18.225","0.005","19.795","0.005","90","","90","","90","","4423","2","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C2.38 H0.86 N0 Ni0.38 O1.9 Si0.1 -","- C2.38095 H0.857143 Ni0.380952 O1.90476 Si0.0952381 -","- C100 H36 Ni16 O80 Si4 -","42","5.25","","Gao, Chao-Ying; Yang, Yang; Liu, Jinghai; Sun, Zhong-Ming","A Ni<sup>II</sup>-cluster-based MOF as an efficient heterogeneous catalyst for the chemical transformation of CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1246","1250","10.1039/c8dt04284e","","","0.71073","MoKα","","0.0775","0.0598","","","0.1717","0.1818","","","","","","1.048","","","","has coordinates","224084","2020-10-21","18:00:00",""
"7048271","10.53537","0.00017","7.07583","0.00011","11.75952","0.00017","90","","90","","90","","876.63","0.02","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","?(NH4)(N2H5)WS4?","- H9 N3 S4 W -","- H9 N3 S4 W -","- H36 N12 S16 W4 -","4","0.5","","Mangelsen, Sebastian; Srinivasan, Bikshandarkoil R.; Schürmann, Ulrich; Kienle, Lorenz; Näther, Christian; Bensch, Wolfgang","Nanostructured tungsten sulfides: insights into precursor decomposition and the microstructure using X-ray scattering methods.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1184","1201","10.1039/c8dt04205e","powder diffraction","x-ray","1.5418","","","","","","","","","","0.0194","2.095","","","","","","","has coordinates","224077","2020-10-21","18:00:00",""
"7049097","17.0701","0.0018","24.879","0.002","5.8722","0.0006","90","","90","","90","","2493.8","0.4","123","2","123","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C33 H27 Cl -","- C33 H27 Cl -","- C132 H108 Cl4 -","4","0.5","","Bresien, Jonas; Goicoechea, Jose M.; Hinz, Alexander; Scharnhölz, Moritz T; Schulz, Axel; Suhrbier, Tim; Villinger, Alexander","Increasing steric demand through flexible bulk - primary phosphanes with 2,6-bis(benzhydryl)phenyl backbones.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3786","3794","10.1039/c9dt00399a","","","0.71073","MoKα","","0.0606","0.0467","","","0.1072","0.1144","","","","","","1.081","","","","has coordinates","224530","2020-10-21","18:00:00",""
"7049098","17.1693","0.0012","24.7652","0.0015","5.5609","0.0004","90","","90","","90","","2364.5","0.3","123","2","123","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C33 H27 F -","- C33 H27 F -","- C132 H108 F4 -","4","0.5","","Bresien, Jonas; Goicoechea, Jose M.; Hinz, Alexander; Scharnhölz, Moritz T; Schulz, Axel; Suhrbier, Tim; Villinger, Alexander","Increasing steric demand through flexible bulk - primary phosphanes with 2,6-bis(benzhydryl)phenyl backbones.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3786","3794","10.1039/c9dt00399a","","","0.71073","MoKα","","0.0772","0.0482","","","0.1089","0.1261","","","","","","1.027","","","","has coordinates","224530","2020-10-21","18:00:00",""
"7049104","18.868","0.004","24.821","0.005","5.9471","0.0012","90","","90","","90","","2785.2","1","123","2","123","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C36 H35 P -","- C36 H36 P -","- C144 H144 P4 -","4","0.5","","Bresien, Jonas; Goicoechea, Jose M.; Hinz, Alexander; Scharnhölz, Moritz T; Schulz, Axel; Suhrbier, Tim; Villinger, Alexander","Increasing steric demand through flexible bulk - primary phosphanes with 2,6-bis(benzhydryl)phenyl backbones.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3786","3794","10.1039/c9dt00399a","","","0.71073","MoKα","","0.0611","0.0532","","","0.1368","0.1424","","","","","","1.134","","","","has coordinates","224530","2020-10-21","18:00:00",""
"7049105","19.007","0.0019","24.84","0.002","5.9476","0.0006","90","","90","","90","","2808.1","0.5","123","2","123","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C36 H33 I -","- C36 H34 I -","- C144 H136 I4 -","4","0.5","","Bresien, Jonas; Goicoechea, Jose M.; Hinz, Alexander; Scharnhölz, Moritz T; Schulz, Axel; Suhrbier, Tim; Villinger, Alexander","Increasing steric demand through flexible bulk - primary phosphanes with 2,6-bis(benzhydryl)phenyl backbones.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3786","3794","10.1039/c9dt00399a","","","0.71073","MoKα","","0.05","0.047","","","0.097","0.0982","","","","","","1.303","","","","has coordinates","224530","2020-10-21","18:00:00",""
"7049147","10.193","0.002","25.619","0.005","19.416","0.004","90","","90","","90","","5070.2","1.7","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C52 H73 Al B F3 N2 O3 S -","- C52 H73 Al B F3 N2 O3 S -","- C208 H292 Al4 B4 F12 N8 O12 S4 -","4","0.5","","Caise, Alexa; Kolychev, Eugene L.; Hicks, Jamie; Fuentes, M Ángeles; Goicoechea, Jose M.; Aldridge, Simon","Reversible borohydride formation from aluminium hydrides and {H(9-BBN)}<sub>2</sub>: structural, thermodynamic and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10845","10852","10.1039/c9dt00535h","","","0.71073","MoKα","","0.095","0.0638","","","0.1664","0.1868","","","","","","1.01","","","","has coordinates,has disorder","223743","2020-10-21","18:00:00",""
"7049164","26.3477","0.0002","20.897","0.0002","18.0176","0.0002","90","","90","","90","","9920.27","0.16","153","2","153.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C49.5 H46 Cl2 N9.5 O11.5 Ru -","- C43 H30 Cl2 N8 O8 Ru -","- C344 H240 Cl16 N64 O64 Ru8 -","8","1","","Yu, Bole; Rees, Thomas W.; Liang, Jiewen; Jin, Chengzhi; Chen, Yu; Ji, Liangnian; Chao, Hui","DNA interaction of ruthenium(ii) complexes with imidazo[4,5-f][1,10]phenanthroline derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3914","3921","10.1039/c9dt00454h","","","1.54178","CuKα","","0.1748","0.1425","","","0.3679","0.3874","","","","","","2.984","","","","has coordinates","224570","2020-10-21","18:00:00",""
"7049453","20.537","0.002","10.2462","0.0006","11.5862","0.001","90","","90","","90","","2438","0.3","93","","93","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25.5 H25 Au Cl N2 -","- C25.5 H26 Au Cl N2 -","- C102 H104 Au4 Cl4 N8 -","4","0.5","","Seki, Tomohiro; Kashiyama, Kentaro; Ito, Hajime","Luminescent mechanochromism of gold N-heterocyclic carbene complexes with hypso- and bathochromic spectral shifts.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7105","7109","10.1039/c9dt00566h","","x-ray","0.71073","MoKα","","0.104","0.0848","","","0.2233","0.2402","","","","","","1.115","","","","has coordinates,has disorder","224464","2020-10-21","18:00:00",""
"7049496","15.97","0.006","13.69","0.008","14.857","0.009","90","","90","","90","","3248","3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H27 Br1.09 Cl1.91 Se3 -","- C30 H27 Br1.094 Cl1.906 Se3 -","- C120 H108 Br4.376 Cl7.624 Se12 -","4","0.5","","Kumar, Abhishek; Yadav, Mantesh K.; Singh, Jagriti; Singh, Jai Deo; Butcher, Ray J.","Facile synthesis of mixed O, S or Se bearing hexasubstituted benzenes and their potential as Cu(ii) ion probe.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5627","5636","10.1039/c9dt00465c","","","0.71073","MoKα","","0.1164","0.0731","","","0.1267","0.1416","","","","","","1.094","","","","has coordinates,has disorder","224103","2020-10-21","18:00:00",""
"7049513","19.166","0.002","19.2","0.002","11.2881","0.0012","90","","90","","90","","4153.9","0.8","228","2","228","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C17.5 H19.5 F3 Mn0.5 N3.5 O4 S -","- C17.5 H19.5 F3 Mn0.5 N3.5 O4 S -","- C140 H156 F24 Mn4 N28 O32 S8 -","8","1","","Denler, Melissa C.; Massie, Allyssa A.; Singh, Reena; Stewart-Jones, Eleanor; Sinha, Arup; Day, Victor W.; Nordlander, Ebbe; Jackson, Timothy A.","Mn<sup>IV</sup>-Oxo complex of a bis(benzimidazolyl)-containing N5 ligand reveals different reactivity trends for Mn<sup>IV</sup>-oxo than Fe<sup>IV</sup>-oxo species.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","5007","5021","10.1039/c9dt00308h","","","0.71073","MoKα","","0.0705","0.0477","","","0.1237","0.1445","","","","","","1.053","","","","has coordinates","224387","2020-10-21","18:00:00",""
"7049619","12.2184","0.0008","7.5854","0.0005","15.627","0.001","90","","90","","90","","1448.33","0.16","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H21 K N2 O -","- C13 H21 K N2 O -","- C52 H84 K4 N8 O4 -","4","0.5","","Guo, Zhiqiang; Xu, Yuan; Wu, Xiaoqin; Wei, Xuehong; Xi, Chanjuan","Potassium complexes containing bidentate pyrrole ligands: synthesis, structures, and catalytic activity for the cyclotrimerization of isocyanates.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8116","8121","10.1039/c9dt01246j","","","0.71073","MoKα","","0.0863","0.0654","","","0.1585","0.172","","","","","","1.054","","","","has coordinates","224428","2020-10-21","18:00:00",""
"7049645","14.9224","0.0015","6.7659","0.0006","10.0562","0.0011","90","","90","","90","","1015.31","0.18","438","2","438","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Cd Cl3 N O -","- C4 H12 Cd Cl3 N O -","- C16 H48 Cd4 Cl12 N4 O4 -","4","0.5","","Hua, Xiu-Ni; Gao, Ji-Xing; Chen, Xiao-Gang; Li, Peng-Fei; Mei, Guang-Quan; Liao, Wei-Qiang","Ultrahigh phase transition temperature in a metal-halide perovskite-type material containing unprecedented hydrogen bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6621","6626","10.1039/c9dt00945k","","","0.71073","MoKα","","0.0906","0.0737","","","0.2155","0.2244","","","","","","1.101","","","","has coordinates","224181","2020-10-21","18:00:00",""
"7049647","14.9615","0.0014","6.775","0.0004","10.0904","0.0009","90","","90","","90","","1022.8","0.15","443","2","443","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Cd Cl3 N O -","- C4 H12 Cd Cl3 N O -","- C16 H48 Cd4 Cl12 N4 O4 -","4","0.5","","Hua, Xiu-Ni; Gao, Ji-Xing; Chen, Xiao-Gang; Li, Peng-Fei; Mei, Guang-Quan; Liao, Wei-Qiang","Ultrahigh phase transition temperature in a metal-halide perovskite-type material containing unprecedented hydrogen bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6621","6626","10.1039/c9dt00945k","","","0.71073","MoKα","","0.0592","0.041","","","0.1268","0.1381","","","","","","1.072","","","","has coordinates","224181","2020-10-21","18:00:00",""
"7049662","13.9152","0.0003","20.666","0.0004","6.4314","0.0001","90","","90","","90","","1849.49","0.06","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H8 F2 Mo O8 P2 -","- C16 H8 F2 Mo O8 P2 -","- C64 H32 F8 Mo4 O32 P8 -","4","0.5","","Miles-Hobbs, Alexandra M.; Hunt, Eliza; Pringle, Paul. G.; Sparkes, Hazel A.","Ring size effects in cyclic fluorophosphites: ligands that span the bonding space between phosphites and PF3","Dalton Transactions","2019","","","","","10.1039/C9DT00893D","","","0.71073","MoKα","","0.0232","0.0205","","","0.0466","0.0478","","","","","","1.109","","","","has coordinates","214604","2020-10-21","18:00:00",""
"7050219","9.828","0.002","15.632","0.003","20.084","0.004","90","","90","","90","","3085.5","1.1","180","2","180","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","Hexa(3-thienyl)cyclotriphosphazene","","- C25 H19 Cl3 N3 P3 S6 -","- C12.5 H9 Cl1.5 N1.5 P1.5 S3 -","- C100 H72 Cl12 N12 P12 S24 -","8","1","","Virginie Vicente; Alain Fruchier; Marc Taillefer; Corinne Combes-Chamalet; Ian J. Scowen; Françoise Plénat; Henri-Jean Cristau","Synthesis and structural studies (1H, 13C, 31P NMR and X-ray) of new C-bonded cyclotriphosphazenes with heterocyclic substituents from novel phosphinic acid derivatives","New J. Chem.","2004","28","3","418","424","10.1039/b311046j","","","0.71073","MoKα","","0.0479","0.0407","","","0.1031","0.1078","","","","","","1.051","","","","has coordinates,has disorder","180056","2020-10-21","18:00:00",""
"7050249","10.0507","0.0004","9.2132","0.0005","7.7953","0.0006","90","","90","","90","","721.84","0.07","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Amidinium acetate","","- C4 H10 N2 O2 -","- C4 H10 N2 O2 -","- C16 H40 N8 O8 -","4","0.5","","Ferretti, Valeria; Bertolasi, Valerio; Pretto, Loretta","Supramolecular aggregation by means of charge-assisted hydrogen bonds in acid-base adducts containing amidinium cations","New Journal of Chemistry","2004","28","5","646","","10.1039/b314143h","","","0.7107","MoKα","","0.0745","0.0516","","","0.1486","0.171","","","","","","1.02","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050457","6.1174","0.0007","6.6674","0.0007","11.3145","0.0011","90","","90","","90","","461.49","0.08","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 H3 Cl O S -","- C2 H3 Cl O S -","- C8 H12 Cl4 O4 S4 -","4","0.5","","Romano, Rosana M.; Della Védova, Carlos O.; Downs, Anthony J.; Parsons, Simon; Smith, Caroline","Structural and vibrational properties of ClC(O)SY compounds with Y = Cl and CH3","New Journal of Chemistry","2003","27","3","514","","10.1039/b209005h","","","0.71073","MoKα","","0.0192","0.0181","","","0.046","0.0466","","","","","","1.12","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050471","28.368","0.005","26.078","0.004","11.095","0.0018","90","","90","","90","","8208","2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C84 H68 La N12 -","- C84 La N12 -","- C336 La4 N48 -","4","0.5","","Bian, Yongzhong; Wang, Daqi; Wang, Rongming; Weng, Linhong; Dou, Jianmin; Zhao, Dongyuan; Ng, Dennis K. P.; Jiang, Jianzhuang","Structural studies of the whole series of lanthanide double-decker compounds with mixed 2,3-naphthalocyaninato and octaethylporphyrinato ligands","New Journal of Chemistry","2003","27","5","844","","10.1039/b209882m","","","0.71073","MoKα","","0.2083","0.0605","","","0.1152","0.1694","","","","","","0.882","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050472","29.062","0.008","26.502","0.007","10.962","0.003","90","","90","","90","","8443","4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H38 N4 O0.25 Pr0.5 -","- C45 H38 N4 O0.25 Pr0.5 -","- C360 H304 N32 O2 Pr4 -","8","1","","Bian, Yongzhong; Wang, Daqi; Wang, Rongming; Weng, Linhong; Dou, Jianmin; Zhao, Dongyuan; Ng, Dennis K. P.; Jiang, Jianzhuang","Structural studies of the whole series of lanthanide double-decker compounds with mixed 2,3-naphthalocyaninato and octaethylporphyrinato ligands","New Journal of Chemistry","2003","27","5","844","","10.1039/b209882m","","","0.71073","MoKα","","0.1196","0.0736","","","0.1714","0.1949","","","","","","1.115","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7050473","28.618","0.008","26.329","0.008","10.987","0.003","90","","90","","90","","8279","4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C90 H76 N8 Nd O0.5 -","- C88 H72 N8 Nd -","- C352 H288 N32 Nd4 -","4","0.5","","Bian, Yongzhong; Wang, Daqi; Wang, Rongming; Weng, Linhong; Dou, Jianmin; Zhao, Dongyuan; Ng, Dennis K. P.; Jiang, Jianzhuang","Structural studies of the whole series of lanthanide double-decker compounds with mixed 2,3-naphthalocyaninato and octaethylporphyrinato ligands","New Journal of Chemistry","2003","27","5","844","","10.1039/b209882m","","","0.71073","MoKα","","0.1205","0.0843","","","0.1809","0.1973","","","","","","1.186","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7050474","28.55","0.004","26.489","0.003","10.9353","0.0014","90","","90","","90","","8269.9","1.8","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C84 H68 N12 Tb -","- C84 N12 Tb -","- C336 N48 Tb4 -","4","0.5","","Bian, Yongzhong; Wang, Daqi; Wang, Rongming; Weng, Linhong; Dou, Jianmin; Zhao, Dongyuan; Ng, Dennis K. P.; Jiang, Jianzhuang","Structural studies of the whole series of lanthanide double-decker compounds with mixed 2,3-naphthalocyaninato and octaethylporphyrinato ligands","New Journal of Chemistry","2003","27","5","844","","10.1039/b209882m","","","0.71073","MoKα","","0.1155","0.0521","","","0.1153","0.1424","","","","","","0.937","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050475","28.589","0.013","26.655","0.013","10.922","0.005","90","","90","","90","","8323","7","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C84 H68 Dy N12 -","- C84 Dy N12 -","- C336 Dy4 N48 -","4","0.5","","Bian, Yongzhong; Wang, Daqi; Wang, Rongming; Weng, Linhong; Dou, Jianmin; Zhao, Dongyuan; Ng, Dennis K. P.; Jiang, Jianzhuang","Structural studies of the whole series of lanthanide double-decker compounds with mixed 2,3-naphthalocyaninato and octaethylporphyrinato ligands","New Journal of Chemistry","2003","27","5","844","","10.1039/b209882m","","","0.71073","MoKα","","0.2334","0.0475","","","0.0552","0.1017","","","","","","0.701","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050476","28.546","0.005","26.529","0.005","10.915","0.002","90","","90","","90","","8266","3","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C84 H68 Ho N12 -","- C84 Ho N12 -","- C336 Ho4 N48 -","4","0.5","","Bian, Yongzhong; Wang, Daqi; Wang, Rongming; Weng, Linhong; Dou, Jianmin; Zhao, Dongyuan; Ng, Dennis K. P.; Jiang, Jianzhuang","Structural studies of the whole series of lanthanide double-decker compounds with mixed 2,3-naphthalocyaninato and octaethylporphyrinato ligands","New Journal of Chemistry","2003","27","5","844","","10.1039/b209882m","","","0.71073","MoKα","","0.116","0.0622","","","0.1553","0.186","","","","","","0.955","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050477","28.617","0.005","26.626","0.005","10.918","0.002","90","","90","","90","","8319","3","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C84 H68 Er N12 -","- C84 Er N12 -","- C336 Er4 N48 -","4","0.5","","Bian, Yongzhong; Wang, Daqi; Wang, Rongming; Weng, Linhong; Dou, Jianmin; Zhao, Dongyuan; Ng, Dennis K. P.; Jiang, Jianzhuang","Structural studies of the whole series of lanthanide double-decker compounds with mixed 2,3-naphthalocyaninato and octaethylporphyrinato ligands","New Journal of Chemistry","2003","27","5","844","","10.1039/b209882m","","","0.71073","MoKα","","0.131","0.05","","","0.0848","0.1076","","","","","","0.861","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050478","28.632","0.014","26.669","0.013","10.938","0.005","90","","90","","90","","8352","7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C88 H72 N8 Tm -","- C88 H72 N8 Tm -","- C352 H288 N32 Tm4 -","4","0.5","","Bian, Yongzhong; Wang, Daqi; Wang, Rongming; Weng, Linhong; Dou, Jianmin; Zhao, Dongyuan; Ng, Dennis K. P.; Jiang, Jianzhuang","Structural studies of the whole series of lanthanide double-decker compounds with mixed 2,3-naphthalocyaninato and octaethylporphyrinato ligands","New Journal of Chemistry","2003","27","5","844","","10.1039/b209882m","","","0.71073","MoKα","","0.1013","0.0752","","","0.1885","0.2009","","","","","","1.236","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7050479","28.739","0.006","26.832","0.005","10.866","0.002","90","","90","","90","","8379","3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C84 H68 N12 Yb -","- C84 N12 Yb -","- C336 N48 Yb4 -","4","0.5","","Bian, Yongzhong; Wang, Daqi; Wang, Rongming; Weng, Linhong; Dou, Jianmin; Zhao, Dongyuan; Ng, Dennis K. P.; Jiang, Jianzhuang","Structural studies of the whole series of lanthanide double-decker compounds with mixed 2,3-naphthalocyaninato and octaethylporphyrinato ligands","New Journal of Chemistry","2003","27","5","844","","10.1039/b209882m","","","0.71073","MoKα","","0.1665","0.0422","","","0.044","0.0715","","","","","","0.644","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050508","23.444","0.005","12.699","0.005","10.521","0.005","90","","90","","90","","3132","2","150","1","150","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H40 Br2 N2 O3 Si4 -","- C18 H32 Br2 N2 O2 Si4 -","- C72 H128 Br8 N8 O8 Si16 -","4","0.5","","Audrey Moores; Christian Defieber; Nicolas Mézailles; Nicole Maigrot; Louis Ricard; Pascal Le Floch","Siloxa-bridged-cyclophanes featuring benzene, thiophene and pyridine units","New J. Chem.","2003","27","6","994","999","10.1039/b211045h","","","0.71069","MoKα","","0.0621","0.0455","","","0.1331","0.1388","","","","","","1.082","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050541","12.654","0.006","17.65","0.007","12.543","0.006","90","","90","","90","","2801","2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C25 H34 Mn N10 -","- C25 H34 Mn N10 -","- C100 H136 Mn4 N40 -","4","0.5","","Tong, Ming-Liang; Ru, Jie; Wu, Yin-Miao; Chen, Xiao-Ming; Chang, Ho-Chol; Mochizuki, K.; Kitagawa, S.","Cation-templated construction of three-dimensional α-Po cubic-type [M(dca)3]‒ networks. Syntheses, structures and magnetic properties of A[M(dca)3] (dca = dicyanamide; for A = benzyltributylammonium, M = Mn2+, Co2+; for A = benzyltriethylammonium, M = Mn2+, Fe2+)","New Journal of Chemistry","2003","27","5","779","","10.1039/b300760j","","","0.71073","MoKα","","0.0813","0.0597","","","0.1598","0.1785","","","","","","1.042","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050542","12.536","0.008","17.48","0.001","12.372","0.006","90","","90","","90","","2711","2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C25 H34 Co N10 -","- C25 H34 Co N10 -","- C100 H136 Co4 N40 -","4","0.5","","Tong, Ming-Liang; Ru, Jie; Wu, Yin-Miao; Chen, Xiao-Ming; Chang, Ho-Chol; Mochizuki, K.; Kitagawa, S.","Cation-templated construction of three-dimensional α-Po cubic-type [M(dca)3]‒ networks. Syntheses, structures and magnetic properties of A[M(dca)3] (dca = dicyanamide; for A = benzyltributylammonium, M = Mn2+, Co2+; for A = benzyltriethylammonium, M = Mn2+, Fe2+)","New Journal of Chemistry","2003","27","5","779","","10.1039/b300760j","","","0.71073","MoKα","","0.0935","0.0578","","","0.1578","0.1812","","","","","","1.064","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050543","12.932","0.006","16.352","0.007","10.625","0.005","90","","90","","90","","2246.8","1.8","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H22 Mn N10 -","- C19 H22 Mn N10 -","- C76 H88 Mn4 N40 -","4","0.5","","Tong, Ming-Liang; Ru, Jie; Wu, Yin-Miao; Chen, Xiao-Ming; Chang, Ho-Chol; Mochizuki, K.; Kitagawa, S.","Cation-templated construction of three-dimensional α-Po cubic-type [M(dca)3]‒ networks. Syntheses, structures and magnetic properties of A[M(dca)3] (dca = dicyanamide; for A = benzyltributylammonium, M = Mn2+, Co2+; for A = benzyltriethylammonium, M = Mn2+, Fe2+)","New Journal of Chemistry","2003","27","5","779","","10.1039/b300760j","","","0.7107","Molybdenum","","0.0563","0.0412","","","0.1056","0.1133","","","","","","1.082","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050544","12.799","0.005","16.229","0.007","10.577","0.005","90","","90","","90","","2197","1.6","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H22 Fe N10 -","- C19 H22 Fe N10 -","- C76 H88 Fe4 N40 -","4","0.5","","Tong, Ming-Liang; Ru, Jie; Wu, Yin-Miao; Chen, Xiao-Ming; Chang, Ho-Chol; Mochizuki, K.; Kitagawa, S.","Cation-templated construction of three-dimensional α-Po cubic-type [M(dca)3]‒ networks. Syntheses, structures and magnetic properties of A[M(dca)3] (dca = dicyanamide; for A = benzyltributylammonium, M = Mn2+, Co2+; for A = benzyltriethylammonium, M = Mn2+, Fe2+)","New Journal of Chemistry","2003","27","5","779","","10.1039/b300760j","","","0.7107","Molybdenum","","0.0586","0.0329","","","0.0802","0.0891","","","","","","1.063","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050758","8.8676","0.0004","17.6548","0.0011","26.4488","0.0014","90","","90","","90","","4140.7","0.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H57 N O8 U -","- C40 H41 N O8 U -","- C160 H164 N4 O32 U4 -","4","0.5","","Masci, Bernardo; Nierlich, Martine; Thuéry, Pierre","Trigonal versus tetragonal or pentagonal coordination of the uranyl ion by hexahomotrioxacalix[3]arenes: solid state and solution investigations","New Journal of Chemistry","2002","26","1","120","","10.1039/b108947c","","","0.71073","MoKα","","0.0756","0.0584","","","0.1494","0.1662","","","","","","1.051","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050760","19.3226","0.0007","16.4355","0.0007","14.1831","0.0005","90","","90","","90","","4504.2","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C44 H69 N O11 U -","- C44 H44 N O11 U -","- C176 H176 N4 O44 U4 -","4","0.5","","Masci, Bernardo; Nierlich, Martine; Thuéry, Pierre","Trigonal versus tetragonal or pentagonal coordination of the uranyl ion by hexahomotrioxacalix[3]arenes: solid state and solution investigations","New Journal of Chemistry","2002","26","1","120","","10.1039/b108947c","","","0.71073","MoKα","","0.0768","0.047","","","0.1164","0.1292","","","","","","1.107","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050855","11.8198","0.0006","18.129","0.002","15.745","0.0007","90","","90","","90","","3373.9","0.4","183","2","183","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C21 H55 Al5 O8 -","- C21 H55 Al5 O8 -","- C84 H220 Al20 O32 -","4","0.5","","Carmalt, Claire J.; Mileham, John D.; White, Andrew J. P.; Williams, David J.","Pentanuclear alkoxyaluminium hydrides","New Journal of Chemistry","2002","26","7","902","","10.1039/b201773n","","","1.54178","CuKα","","0.0668","0.049","","0.1477","0.1314","","","","1.045","1.089","1.089","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050865","14.396","0.0001","16.141","0.0004","6.136","0.0006","90","","90","","90","","1425.8","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H10 N2 S Se -","- C18 H10 N2 S Se -","- C72 H40 N8 S4 Se4 -","4","0.5","","Krystian, Pluta; Malgorzata, Nowak; Kinga, Suwinska","Synthesis of novel heteropentacenes containing nitrogen, sulfur and oxygen or selenium","New Journal of Chemistry","2002","","","","","10.1039/b202107m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050866","9.844","0.0003","15.525","0.0003","13.251","0.0006","90","","90","","90","","2025.1","0.1","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C26 H15 N3 S -","- C26 H15 N3 S -","- C104 H60 N12 S4 -","4","0.5","","","","New Journal of Chemistry","2002","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050990","13.501","0.002","3.995","0.001","11.98","0.002","90","","90","","90","","646.2","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C4 N6 Pb -","- C4 N6 Pb -","- C16 N24 Pb4 -","4","0.5","","Shi, Yu-Jun; Chen, Xue-Tai; Li, Yi-Zhi; Xue, Ziling; You, Xiao-Zeng","Pb(dca)2 (dca???=???dicyanamide): a novel 3D compound with unusual coordination modes of dicyanamide","New Journal of Chemistry","2002","26","12","1711","","10.1039/b206332h","","","0.71073","MoKα","","0.0478","0.038","","","0.124","0.1366","","","","","","1.002","","","","has coordinates","180063","2020-10-21","18:00:00",""
"7051123","16.203","0.003","13.122","0.003","10.438","0.002","90","","90","","90","","2219","1","110","","110","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H8 Fe2 N16 O -","- C14 H7 Fe2 N15 O0.5 -","- C56 H28 Fe8 N60 O2 -","4","0.5","","Triki, Smail; Thetiot, Franck; Galan-Mascaros, Jose-Ramon; Sala Pala, Jean; Dunbar, R. Kim","New Compounds with Bridging Dicyanamide and Bis-Chelating 2,2'-Bipyrimidine Ligands: Syntheses, Structural Characterization and Magnetic Properties of Two-Dimensional Materials [Fe2(dca)4(bpym)].H2O and [Fe2(dca)4(bpym)(H2O)2].","New Journal of Chemistry","2001","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7051330","8.6597","0.0006","8.7948","0.0004","11.9359","0.0008","90","","90","","90","","909.04","0.1","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H15 Cl2 N3 -","- C4 H15 Cl2 N3 -","- C16 H60 Cl8 N12 -","4","0.5","","","","New Journal of Chemistry","2000","","","","","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7051371","16.9221","0.0007","11.4251","0.0004","8.6147","0.0003","90","","90","","90","","1665.54","0.11","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H8 Co N8 -","- C14 H8 Co N8 -","- C56 H32 Co4 N32 -","4","0.5","","Sun, Bai-Wang; Gao, Song; Ma, Bao-Qing; Wang, Zhe-Ming","A two-fold interpenetrated three-dimensional cobalt(II) complex with dual dicyanamide and 4,4'-bipyridine bridges","New Journal of Chemistry","2000","24","12","953","","10.1039/b006602h","","","0.71073","MoKα","","0.097","0.0772","","","0.2543","0.2644","","","","","","1.179","","","","has coordinates,has disorder","180067","2020-10-21","18:00:00",""
"7051434","7.349","0.001","18.165","0.001","6.721","0.001","90","","90","","90","","897.3","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H6 Mn O6 S -","- C6 H6 Mn O6 S -","- C24 H24 Mn4 O24 S4 -","4","0.5","","Chen, Bang-Lin; Mok, Kum-Fun; Ng, Siu-Choon; Drew, Michael G. B.","Thiophene-2,5-dicarboxylic acid incorporated self-assembly of one-, two- and three-dimensional coordination polymers","New Journal of Chemistry","1999","23","8","877","883","10.1039/a901688k","","","","","","","0.0238","","","0.0602","","","","","","","","","","","has coordinates","198589","2020-10-21","18:00:00",""
"7051451","9.21","0.01","9.779","0.011","22.6","0.02","90","","90","","90","","2035","4","293","2","293","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C10 H22 Cl F6 O P Ru S5 -","- C10 H22 Cl F6 O P Ru S5 -","- C40 H88 Cl4 F24 O4 P4 Ru4 S20 -","4","0.5","","Santos, Teresa M.; Goodfellow, Brian J.; Madureira, João; Pedrosa de Jesus, Júlio; Félix, Vitor; Drew, Michael G. B.","Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes with polypyridylic and related ligands","New Journal of Chemistry","1999","23","10","1015","1025","10.1039/a903117k","","","","","","","","","","","","","","","","","","","","","has coordinates","277928","2022-09-16","20:08:52",""
"7052226","17.235","0.003","18.659","0.004","13.113","0.003","90","","90","","90","","4217","1.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C41 H55 N4 O6 P -","- C41 H55 N4 O6 P -","- C164 H220 N16 O24 P4 -","4","0.5","","Kumar, K. V. P. Pavan; Kumar, N. Satish; Kumara Swamy, K. C.","Structurally diverse penta- and hexacoordinate phosphorus compounds from the reaction of diethyl or diisopropyl azodicarboxylates with phosphorus(iii) compounds","New Journal of Chemistry","2006","30","5","717","","10.1039/b514839a","","","0.71073","MoKα","","0.1132","0.0487","","","0.13","0.164","","","","","","0.989","","","","has coordinates,has disorder","180076","2020-10-21","18:00:00",""
"7052495","7.0475","0.001","7.438","0.003","20.763","0.004","90","","90","","90","","1088.4","0.5","296.2","","296.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 F N2 O -","- C12 H10 F N2 O -","- C48 H40 F4 N8 O4 -","4","0.5","","George, Sumod; Nangia, Ashwini; Bagieu-Beucher, Muriel; Masse, René; Nicoud, Jean-François","Crystal engineering of two-dimensional polar layer structures: hydrogen bond networks in some N-meta-phenylpyrimidinones","New Journal of Chemistry","2003","27","3","568","","10.1039/b207090a","","","0.7107","MoKα","","0.087","0.087","","0.071","","0.071","","","2.097","","","2.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052517","26.559","0.003","6.373","0.001","8.079","0.001","90","","90","","90","","1367.5","0.3","569.4","","569.4","","","","","","","","","4","P n m a","-P 2ac 2n","62","(1,2-dihydro-N-tolyl-4,6-dimethylpyrimidin-2-ones) HNO3 salt","","","- C13 H15 N3 O4 -","- C8.5 H12.5 N1.5 O2 -","- C34 H50 N6 O8 -","4","0.5","","","Crystal engineering of neutral N-arylpyrimidinones and their HCl and HNO3 adducts with a C‒H⋯O supramolecular synthon. Implications for non-linear optics","New Journal of Chemistry","2001","25","12","1520","","10.1039/b104646m","","","0.7107","MoKα","","0.0644","0.064","","0.061","","0.061","","","3.835","","","3.83","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7052518","26.88","0.003","6.348","0.001","8.102","0.001","90","","90","","90","","1382.5","0.3","296.2","","296.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H12 Cl N3 O4 -","- C12 H12 Cl N3 O4 -","- C48 H48 Cl4 N12 O16 -","4","0.5","","","Crystal engineering of neutral N-arylpyrimidinones and their HCl and HNO3 adducts with a C‒H⋯O supramolecular synthon. Implications for non-linear optics","New Journal of Chemistry","2001","25","12","1520","","10.1039/b104646m","","","0.7107","MoKα","","0.0593","0.059","","0.063","","0.063","","","2.895","","","2.9","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052571","9.7425","0.0009","20.2668","0.0019","8.0361","0.0008","90","","90","","90","","1586.7","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H6 Ag3 N7 O8 S -","- C8 H6 Ag3 N7 O8 S -","- C32 H24 Ag12 N28 O32 S4 -","4","0.5","","Wan, Chong-Qing; Mak, Thomas C. W.","Supramolecular frameworks constructed from angular-shaped sulfonyldipyrazine and various silver(i) salts","New Journal of Chemistry","2011","35","2","319","","10.1039/c0nj00631a","","","0.71073","MoKα","","0.0631","0.0472","","","0.1317","0.144","","","","","","1.061","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052761","12.57","0.0004","8.7661","0.0003","13.9672","0.0005","90","","90","","90","","1539.04","0.09","90","0.1","90","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H16 F6 Fe N P -","- C14 H16 F6 Fe N P -","- C56 H64 F24 Fe4 N4 P4 -","4","0.5","","Abd-El-Aziz, Alaa S.; Winram, Diana J.; Shipman, Patrick O.; Dalgakiran, Sibel Sezgin; Shipley, Paul; Bichler, Lukas; Patrick, Brian","Micro and nano-sized polysiloxanes containing organoiron moieties","New Journal of Chemistry","2011","35","10","2341","","10.1039/c1nj20477g","","","0.71073","MoKα","","0.0775","0.0633","","","0.1733","0.1868","","","","","","1.053","","","","has coordinates,has disorder","180081","2020-10-21","18:00:00",""
"7052935","6.3808","0.0003","7.4452","0.0003","12.7044","0.0005","90","","90","","90","","603.54","0.04","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cu H4.8 N6.8 O1.2 -","- Cu H4.8 N6.8 O1.2 -","- Cu4 H19.2 N27.2 O4.8 -","4","0.5","","Tommasino, Jean-Bernard; Chastanet, Guillaume; Guennic, Boris Le; Robert, Vincent; Pilet, Guillaume","A 1D coordination polymer built on asymmetric μ1,1,3-azide bridge: from unusual topology to magnetic properties and Cu(ii)/Cu(i) redox reversibility","New Journal of Chemistry","2012","36","11","2228","","10.1039/c2nj40302a","","","0.71073","MoKα","","0.029","0.0237","","0.0298","0.027","0.0256","","","","","","1.1142","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052963","14.2392","0.0012","14.631","0.0018","18.0321","0.0017","90","","90","","90","","3756.7","0.7","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C176 H180 Cl4 N4 P4 Zr4 -","- C176 H180 Cl4 N4 P4 Zr4 -","- C176 H180 Cl4 N4 P4 Zr4 -","1","0.125","","Naktode, Kishor; Kottalanka, Ravi K.; Panda, Tarun K.","N-(2,6-Dimethylphenyl)diphenylphosphinamine chalcogenides (S, Se) and a zirconium complex possessing phosphanylamide in the coordination sphere","New Journal of Chemistry","2012","36","11","2280","","10.1039/c2nj40646b","","","1.54184","CuKα","","0.0674","0.0509","","","0.1186","0.1304","","","","","","1.047","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052999","22.017","0.0017","16.2879","0.0016","13.7909","0.0011","90","","90","","90","","4945.6","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H22 Mg O13 Zn -","- C18 H16 Mg O10 Zn -","- C144 H128 Mg8 O80 Zn8 -","8","1","","Bo, Qi-Bing; Wang, Hong-Yan; Wang, Da-Qi","Synthesis, characterization and photoluminescent properties of Zn-based mono- and hetero-MOFs containing the R-isophthalate (R = methyl or tert-butyl) ligands","New Journal of Chemistry","2013","37","2","380","","10.1039/c2nj40752c","","","0.71073","MoKα","","0.106","0.0668","","","0.1529","0.1735","","","","","","1.043","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7053298","11.5875","0.0016","15.191","0.003","18.27","0.003","90","","90","","90","","3216","0.9","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Bromo-tris(5-cyclohexylpyrazole)zinc(II) nitrate hydrate","","- C27 H44 Br N7 O4 Zn -","- C27 H44 Br N7 O4 Zn -","- C108 H176 Br4 N28 O16 Zn4 -","4","0.5","","Day, Jonathan; Marriott, Katie E. R.; Kilner, Colin A.; Halcrow, Malcolm A.","The effect of different ligand substituents on the chemistry of a zinc‒pyrazole anion host","New Journal of Chemistry","2010","34","1","52","","10.1039/b9nj00412b","","","0.71073","MoKα","","0.0535","0.0318","","","0.0764","0.0928","","","","","","1.118","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053326","22.599","0.002","16.53","0.001","11.926","0.001","90","","90","","90","","4455.1","0.6","100","2","100","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C86 F32 -","- C86 F32 -","- C344 F128 -","4","0.5","","Gruzinskaya, Natalia I.; Silin, Andrey I.; Pimenova, Anna S.; Khavrel, Pavel A.; Markov, Vitaliy Yu.; Sidorov, Lev N.; Kemnitz, Erhard; Troyanov, Sergey I.","Synthesis and structure of cycloperfluoroalkylated derivatives of C70, C70(C2F4) and C70(C4F8)n, n = 1‒6","New Journal of Chemistry","2010","34","2","243","","10.1039/b9nj00444k","","","0.905","synchrotron","","0.1662","0.0667","","","0.1601","0.1791","","","","","","1.164","","","","has coordinates","180087","2020-10-21","18:00:00",""
"7053508","19.4976","0.0007","18.3271","0.0006","11.299","0.0004","90","","90","","90","","4037.5","0.2","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C43 H55 N4 V -","- C43 H55 N4 V -","- C172 H220 N16 V4 -","4","0.5","","Lin, Kuan-Ming; Wang, Po-Yang; Shieh, Yun-Jen; Chen, Hong-Zhang; Kuo, Ting-Shen; Tsai, Yi-Chou","Reductive N‒N bond cleavage and coupling of organic azides mediated by chromium(i) and vanadium(i) β-diketiminate","New Journal of Chemistry","2010","34","8","1737","","10.1039/c0nj00114g","","","0.71073","MoKα","","0.1052","0.0564","","","0.1529","0.1918","","","","","","1.032","","","","has coordinates","180089","2020-10-21","18:00:00",""
"7054074","16.681","0.006","18.988","0.006","15.587","0.007","90","","90","","90","","4937","3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H48 Ce3 Mn2 Na O31 -","- C16 H24 Ce3 Mn2 Na O27 -","- C64 H96 Ce12 Mn8 Na4 O108 -","4","0.5","","Zhang, Chunjing; Chen, Yanyan; Ma, Huiyuan; Yu, Tingting; Liu, Bo; Pang, Haijun","Synthesis and structural characterization of 3d‒4f heterometallic coordination polymers: from cluster to chain","New Journal of Chemistry","2013","37","5","1364","","10.1039/c3nj41064a","","","0.71069","MoKα","","0.0927","0.0578","","","0.1351","0.1478","","","","","","0.93","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054634","5.8352","0.0012","7.3473","0.0015","5.2561","0.001","90","","90","","90","","225.34","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Dy0.5 Mn O3 Yb0.5 -","- Dy0.5 Mn O3 Yb0.5 -","- Dy2 Mn4 O12 Yb2 -","4","0.5","","Zhang, Yingnan; Liu, Fuyang; Zheng, Tong; Zhang, Ziqing; Liu, Wei; Zhao, Xudong; Liu, Xiaoyang","Synthesis of perovskite-type manganites Yb1−xDyxMnO3(0.1 ≤ x ≤ 0.5) via solid-state reaction and high-pressure flux methods followed by structural characterization and magnetic property studies","New J. Chem.","2015","39","4","2596","","10.1039/C4NJ01876A","","","0.71073","MoKα","","0.0177","0.0171","","","0.0397","0.0402","","","","","","1.201","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054917","18.6008","0.001","9.9127","0.0005","18.2252","0.0009","90","","90","","90","","3360.4","0.3","150","0.2","150","0.2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H40 N2 Na2 O27 V2 W4 -","- C8 H24 N2 Na2 O27 V2 W4 -","- C32 H96 N8 Na8 O108 V8 W16 -","4","0.5","","Abramov, Pavel A.; Peresypkina, Eugenia V.; Izarova, Natalia V.; Vicent, Cristian; Zhdanov, Artem A.; Kompankov, Nikolay B.; Gutsul, Tatiana; Sokolov, Maxim N.","Polyoxoanions assembled by the condensation of vanadate, tungstate and selenite: solution studies and crystal structures of the mixed metal derivatives (NMe4)2Na2[WVI4VV2O19]·8H2O and (NMe4)4.83[(SeIVWVI4.57VV4.43O33)2(WVI(O)(H2O))(VVO)2.6]·10.57H2O","New J. Chem.","2016","40","2","937","","10.1039/C5NJ00858A","","","0.71073","MoKα","","0.0569","0.0513","","","0.107","0.1095","","","","","","1.188","","","","has coordinates","177892","2020-10-21","18:00:00",""
"7055027","15.5132","0.0015","7.6193","0.0008","7.9082","0.0008","90","","90","","90","","934.75","0.16","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H12 Cl2 Se -","- C8 H12 Cl2 Se -","- C32 H48 Cl8 Se4 -","4","0.5","","Potapov, Vladimir A.; Amosova, Svetlana V.; Abramova, Elena V.; Musalov, Maxim V.; Lyssenko, Konstantin A.; Finn, M. G.","2,6-Dihalo-9-selenabicyclo[3.3.1]nonanes and their complexes with selenium dihalides: synthesis and structural characterisation","New J. Chem.","2015","39","10","8055","","10.1039/C5NJ00684H","","","0.71073","MoKα","","0.0374","0.0273","","","0.0632","0.0664","","","","","","1.02","","","","has coordinates","162103","2020-10-21","18:00:00",""
"7055095","10.268","0.007","8.694","0.006","4.65","0.003","90","","90","","90","","415.1","0.5","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F2 Mg3 O4 Si -","- F2 Mg3 O4 Si -","- F8 Mg12 O16 Si4 -","4","0.5","","Zhen, Ni; Wu, Kui; Li, Qiang; Pan, Shilie; Gao, Wenhui; Yang, Zhihua","Synthesis, structures, and properties of two magnesium silicate fluorides Mg5(SiO4)2F2and Mg3SiO4F2","New J. Chem.","2015","39","11","8866","","10.1039/C5NJ01911G","","","0.71073","MoKα","","0.0713","0.0643","","","0.1869","0.1929","","","","","","1.156","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055307","22.497","0.004","19.421","0.003","12.646","0.002","90","","90","","90","","5525.2","1.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H18 Cd N4 O4 -","- C18 H18 Cd N4 O4 -","- C144 H144 Cd8 N32 O32 -","8","1","","Tomar, Kapil; Gupta, Anoop K.; Gupta, Mayank","Change in synthetic strategy for MOF fabrication: from 2D non-porous to 3D porous architecture and its sorption and emission property studies","New J. Chem.","2016","40","3","1953","","10.1039/C5NJ03044G","","","0.71073","MoKα","","0.0633","0.0485","","","0.1241","0.1295","","","","","","1.056","","","","has coordinates,has disorder","181755","2020-10-21","18:00:00",""
"7055486","28.487","0.002","24.612","0.004","12.984","0.005","90","","90","","90","","9103","4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C60 H112 Cl6 Cu6 N24 O29 -","- C60 H112 Cl6 Cu6 N24 O29 -","- C240 H448 Cl24 Cu24 N96 O116 -","4","0.5","","Pitarch-Jarque, Javier; Belda, Raquel; Blasco, Salvador; Navarro, Pilar; Tejero, Roberto; Junquera-Hernández, José Miguel; Pérez-Mondéjar, Vicente; García-España, Enrique","A water molecule in the interior of a 1H-pyrazole Cu2+metallocage","New J. Chem.","2016","40","7","5670","","10.1039/C5NJ03234B","","","0.71073","MoKα","","0.2355","0.0811","","","0.2095","0.2836","","","","","","0.889","","","","has coordinates,has disorder","185597","2020-10-21","18:00:00",""
"7055489","28.221","0.003","24.265","0.01","12.8478","0.0009","90","","90","","90","","8798","4","120","0.1","120","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C120 H228 Cl12 Cu12 N48 O61 -","- C120 H228 Cl12 Cu12 N48 O61 -","- C240 H456 Cl24 Cu24 N96 O122 -","2","0.25","","Pitarch-Jarque, Javier; Belda, Raquel; Blasco, Salvador; Navarro, Pilar; Tejero, Roberto; Junquera-Hernández, José Miguel; Pérez-Mondéjar, Vicente; García-España, Enrique","A water molecule in the interior of a 1H-pyrazole Cu2+metallocage","New J. Chem.","2016","40","7","5670","","10.1039/C5NJ03234B","","x-ray","0.71073","MoKα","","0.2546","0.0996","","","0.2376","0.3457","","","","","","1.016","","","","has coordinates,has disorder","185597","2020-10-21","18:00:00",""
"7055545","26.143","0.003","25.5375","0.0012","16.485","0.0016","90","","90","","90","","11005.8","1.7","150","2","150","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","","","- C61 H53 F6 O2 P3 Ru -","- C61 H53 F6 O2 P3 Ru -","- C488 H424 F48 O16 P24 Ru8 -","8","1","","Spörler, Susanne; Strinitz, Frank; Rodehutskors, Philipp; Müller, Lisa; Waterloo, Andreas R.; Dürr, Maximilian; Hübner, Eike; Ivanović-Burmazović, Ivana; Tykwinski, Rik R.; Burzlaff, Nicolai","Carbon-rich cyclopentadienyl ruthenium allenylidene complexes","New J. Chem.","2016","40","7","6127","","10.1039/C5NJ03556B","","x-ray","0.71073","MoKα","","0.083","0.0599","","","0.1745","0.1953","","","","","","1.099","","","","has coordinates","185586","2020-10-21","18:00:00",""
"7055674","12.925","0.013","7.971","0.008","9.546","0.01","90","","90","","90","","983.5","1.7","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- F6 H6 N Na3 O5 S Ti -","- F6 H6 N Na3 O5 S Ti -","- F24 H24 N4 Na12 O20 S4 Ti4 -","4","0.5","","Xu, Dongdong; Zhang, Fangfang; Sun, Yanzhou; Yang, Zhihua; Dong, Xiaoyu; Pan, Shilie","Hydrogen bond-assisted crystallization: structure, growth and characterization of a new mixed-anion transition metal fluoride Na3NH4(TiF6)(SO4)·H2O","New J. Chem.","2016","40","9","7407","","10.1039/C6NJ01358A","","","0.71073","MoKα","","0.039","0.0315","","","0.0798","0.0843","","","","","","1.078","","","","has coordinates","186470","2020-10-21","18:00:00",""
"7055817","27.4927","0.0006","17.8801","0.0006","25.0895","0.0006","90","","90","","90","","12333.3","0.6","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C43.5 H104.1 N14.5 O77.8 P2 Pb3 W18 -","- C43.5 H72.5 N14.5 O77.8 P2 Pb3 W18 -","- C174 H290 N58 O311.2 P8 Pb12 W72 -","4","0.5","","Udalova, Liubov I.; Adonin, Sergey A.; Abramov, Pavel A.; Korolkov, Ilya V.; Yunoshev, Alexander S.; Plyusnin, Pavel E.; Sokolov, Maxim N.","Complexes of non-lacunary Keggin- and Dawson-type polyoxometalates with Pb(ii): formation of 1D coordination polymers with different bonding modes","New J. Chem.","2016","40","12","9981","","10.1039/C6NJ02155G","","x-ray","0.71073","MoKα","","0.068","0.0475","","","0.0999","0.1102","","","","","","1.102","","","","has coordinates,has disorder","190240","2020-10-21","18:00:00",""
"7055831","8.465","0.003","3.8075","0.001","13.823","0.004","90","","90","","90","","445.5","0.2","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","EuZrS3","","","- Eu S3 Zr -","- Eu S3 Zr -","- Eu4 S12 Zr4 -","4","0.5","","Guo, Sheng-Ping; Chi, Yang; Zou, Jian-Ping; Xue, Huai-Guo","Crystal and electronic structures, and photoluminescence and photocatalytic properties of α-EuZrS3","New J. Chem.","2016","40","12","10219","","10.1039/C6NJ02106A","","","0.71073","MoKα","","0.0184","0.0147","","","0.027","0.028","","","","","","1.022","","","","has coordinates","190250","2020-10-21","18:00:00",""
"7055904","18.1597","0.0019","16.2161","0.0018","6.9479","0.0007","90","","90","","90","","2046","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","1_CH2Cl2","","- C17 H18 Cl4 N2 Ni S2 -","- C17 H18 Cl4 N2 Ni S2 -","- C68 H72 Cl16 N8 Ni4 S8 -","4","0.5","","Saha, Pinaki; Samanta, Debasish; Ghosh, Prasanta","Glyoxalbis(2-methylmercaptoanil) complexes of nickel and ruthenium: radical versus non-radical states","New J. Chem.","2017","41","3","1149","","10.1039/C6NJ02903E","","","0.71073","MoKα","","0.0313","0.0271","","","0.0725","0.0752","","","","","","0.971","","","","has coordinates","191707","2020-10-21","18:00:00",""
"7055923","5.536","0.005","10.628","0.005","11.77","0.005","90","","90","","90","","692.5","0.8","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H4 Ni O8 V2 -","- H4 Ni O8 V2 -","- H16 Ni4 O32 V8 -","4","0.5","","Li, Ning; Zhang, Zhong; Liu, Yiwei; Lu, Ying; He, Danfeng; Xu, Li; Zhong, Xiahua; Liu, Shuxia","Magnetic and luminescence properties of an inorganic 3D nickel‒vanadium bimetallic framework","New J. Chem.","2017","41","3","1245","","10.1039/C6NJ03413F","","","0.71069","MoKα","","0.0212","0.0205","","","0.0471","0.0475","","","","","","1.008","","","","has coordinates","191713","2020-10-21","18:00:00",""
"7056079","7.252","0.0011","5.4841","0.0008","24.352","0.004","90","","90","","90","","968.5","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba2 O10 Pb S Si2 -","- Ba2 O10 Pb S Si2 -","- Ba8 O40 Pb4 S4 Si8 -","4","0.5","","Dong, Lingyun; Jia, Liangliang; Wang, Lijun","New lead(II) borates in the PbO/PbF2/H3BO3 ternary phase diagram: syntheses and structures of β-Pb6B10O21 and Pb4B8O16","New J. Chem.","2017","","","","","10.1039/C7NJ00203C","","","0.71073","MoKα","","0.044","0.0297","","","0.0566","0.0608","","","","","","1.029","","","","has coordinates","194573","2020-10-21","18:00:00",""
"7056258","12.3977","0.0011","12.6699","0.0012","9.4124","0.0009","90","","90","","90","","1478.5","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H16 N4 O7 Zn -","- C11 H16 N4 O7 Zn -","- C44 H64 N16 O28 Zn4 -","4","0.5","","Cheng, Meiling; Wang, Qinghua; Bao, Jinting; Wu, Yujuan; Sun, Lin; Yang, Bingxin; Liu, Qi","Synthesis and structural diversity of d10 metal coordination polymers constructed from new semi-rigid bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane ligands","New J. Chem.","2017","","","","","10.1039/C7NJ00835J","","","0.71073","MoKα","","0.0656","0.0548","","","0.1384","0.1446","","","","","","1.104","","","","has coordinates","197061","2020-10-21","18:00:00",""
"7056419","19.356","0.003","11.1923","0.0016","26.552","0.004","90","","90","","90","","5752.2","1.5","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H68 Ba2 Cl4 N20 O24 -","- C35 H40 Ba2 Cl4 N20 O24 -","- C140 H160 Ba8 Cl16 N80 O96 -","4","0.5","","Shen, Yenan; Zou, Lei; Wang, Qiaochun","Template-directed synthesis of cucurbituril analogues using propanediurea as building block","New J. Chem.","2017","","","","","10.1039/C7NJ01669G","","","0.71073","MoKα","","0.0647","0.0563","","","0.1527","0.1577","","","","","","1.199","","","","has coordinates","198664","2020-10-21","18:00:00",""
"7056458","26.628","0.006","12.917","0.003","26.346","0.006","90","","90","","90","","9062","4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H5.75 I22 N12 O3 Pb5 -","- C36 H60 I22 N12 O3 Pb5 -","- C144 H240 I88 N48 O12 Pb20 -","4","0.5","","Yu, Hui; Wei, Zhenhong; Hao, Yanhuan; Liang, Zhiwen; Fu, Zhengjiang; Cai, Hu","Reversible solid-state thermochromism of a 2D organic-inorganic hybrid perovskite structure based on iodoplumbate and 2-aminomethyl-pyridine","New J. Chem.","2017","","","","","10.1039/C7NJ02229H","","","0.71073","MoKα","","0.0593","0.0446","","","0.1257","0.147","","","","","","1.058","","","","has coordinates","199337","2020-10-21","18:00:00",""
"7056475","20.7516","0.0016","28.169","0.002","7.3729","0.0006","90","","90","","90","","4309.8","0.6","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H21.75 Cl3 Fe N3 O2.5 -","- C18 H22.5 Cl3 Fe N3 O2.5 -","- C144 H180 Cl24 Fe8 N24 O20 -","8","1","","Gomes, Clicia; Lube, Leonardo Munaldi; Fernandes, Christiane; Franco, Roberto W. A.; Lamounier Camargos Resende, Jackson Antonio; Horn, Adolfo","A new system for cyclohexane functionalization employing iron(III) catalysts and trichloroisocianuric acid","New J. Chem.","2017","","","","","10.1039/C7NJ01164D","","x-ray","0.71073","MoKα","","0.1436","0.1213","","","0.2878","0.2983","","","","","","1.205","","","","has coordinates","199428","2020-10-21","18:00:00",""
"7056762","16.7661","0.0015","22.86","0.002","11.406","0.0011","90","","90","","90","","4371.6","0.7","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H28 Bi2 I9 N5 -","- C18 H28 Bi2 I9 N5 -","- C72 H112 Bi8 I36 N20 -","4","0.5","","Yan, Zhi Shuo; Long, Ji Ying; Gong, Yun; Hua Lin, Jian","Three in situ-synthesized novel inorganic‒organic hybrid materials based on metal (M = Bi, Pb) iodide and organoamine using one-pot reactions: structures, band gaps and optoelectronic properties","New Journal of Chemistry","2018","42","1","699","","10.1039/C7NJ02815F","","","0.71073","MoKα","","0.2059","0.0859","","","0.2283","0.2904","","","","","","1.025","","","","has coordinates","230222","2020-10-21","18:00:00",""
"7056763","18.36","0.02","7.91","0.01","19.67","0.02","90","","90","","90","","2857","6","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H10 I3 N Pb -","- C7 H10 I3 N Pb -","- C56 H80 I24 N8 Pb8 -","8","1","","Yan, Zhi Shuo; Long, Ji Ying; Gong, Yun; Hua Lin, Jian","Three in situ-synthesized novel inorganic‒organic hybrid materials based on metal (M = Bi, Pb) iodide and organoamine using one-pot reactions: structures, band gaps and optoelectronic properties","New Journal of Chemistry","2018","42","1","699","","10.1039/C7NJ02815F","","","0.71073","MoKα","","0.079","0.04","","","0.0824","0.097","","","","","","1.044","","","","has coordinates","230222","2020-10-21","18:00:00",""
"7056764","14.9571","0.0012","8.096","0.0008","9.8979","0.0009","90","","90","","90","","1198.56","0.19","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 I3 N Pb -","- C5 H6 I3 N Pb -","- C20 H24 I12 N4 Pb4 -","4","0.5","","Yan, Zhi Shuo; Long, Ji Ying; Gong, Yun; Hua Lin, Jian","Three in situ-synthesized novel inorganic‒organic hybrid materials based on metal (M = Bi, Pb) iodide and organoamine using one-pot reactions: structures, band gaps and optoelectronic properties","New Journal of Chemistry","2018","42","1","699","","10.1039/C7NJ02815F","","","0.71073","MoKα","","0.1005","0.09","","","0.2185","0.2263","","","","","","1.115","","","","has coordinates,has disorder","230222","2020-10-21","18:00:00",""
"7056924","8.442","0.004","6.727","0.0013","14.467","0.003","90","","90","","90","","821.6","0.5","277","2","277","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H11 N3 O3 -","- C6 H11 N3 O3 -","- C24 H44 N12 O12 -","4","0.5","","Thakur, Neha; Pandey, Mrituanjay D.; Pandey, Rampal","A uniquely fabricated Cu(ii)-metallacycle as a reusable highly sensitive dual-channel and practically functional metalloreceptor for Fe3+ and Ca2+ ions: an inorganic site of cation detection","New Journal of Chemistry","2018","42","5","3582","","10.1039/C7NJ03294C","","","0.71073","MoKα","","0.1679","0.1516","","","0.4348","0.4455","","","","","","1.776","","","","has coordinates","230259","2020-10-21","18:00:00",""
"7057094","11.835","0.003","6.6734","0.0011","12.462","0.002","90","","90","","90","","984.2","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H8 I N3 -","- C8 H8 I N3 -","- C32 H32 I4 N12 -","4","0.5","","Szell, Patrick M. J.; Siiskonen, Antti; Catalano, Luca; Cavallo, Gabriella; Terraneo, Giancarlo; Priimagi, Arri; Bryce, David L.; Metrangolo, Pierangelo","Halogen-bond driven self-assembly of triangular macrocycles","New Journal of Chemistry","2018","42","13","10467","","10.1039/C8NJ00759D","","","0.71073","MoKα","","0.0212","0.0197","","","0.048","0.0497","","","","","","1.128","","","","has coordinates","230377","2020-10-21","18:00:00",""
"7057192","23.146","0.003","18.2397","0.0018","9.1304","0.001","90","","90","","90","","3854.6","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","3","","- C30 H26 Cu4 I4 N6 -","- C30 H26 Cu4 I4 N6 -","- C120 H104 Cu16 I16 N24 -","4","0.5","","Yu, Ya-Dong; Meng, Ling-Bin; Chen, Qiu-Cheng; Chen, Guang-Hui; Huang, Xiao-Chun","Substituent regulated photoluminescent thermochromism in a rare type of octahedral Cu4I4 clusters","New Journal of Chemistry","2018","42","11","8426","","10.1039/C8NJ00505B","","","0.71073","MoKα","","0.1714","0.0749","","","0.1674","0.2097","","","","","","1.009","","","","has coordinates","230527","2020-10-21","18:00:00",""
"7057196","22.6213","0.0006","18.2046","0.0005","9.0203","0.0002","90","","90","","90","","3714.67","0.16","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","3-LT","","- C30 H26 Cu4 I4 N6 -","- C30 H26 Cu4 I4 N6 -","- C120 H104 Cu16 I16 N24 -","4","0.5","","Yu, Ya-Dong; Meng, Ling-Bin; Chen, Qiu-Cheng; Chen, Guang-Hui; Huang, Xiao-Chun","Substituent regulated photoluminescent thermochromism in a rare type of octahedral Cu4I4 clusters","New Journal of Chemistry","2018","42","11","8426","","10.1039/C8NJ00505B","","","1.54178","CuKα","","0.0406","0.0372","","","0.0922","0.0945","","","","","","1.015","","","","has coordinates","230527","2020-10-21","18:00:00",""
"7057441","8.532","0.008","7.552","0.007","13.582","0.012","90","","90","","90","","875.1","1.4","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li Mo3 O10 Rb -","- Li Mo3 O10 Rb -","- Li4 Mo12 O40 Rb4 -","4","0.5","","Han, Shujuan; Zhang, Bingbing; Tong, Tinghao; Yang, Zhihua; Pan, Shilie","Four alkali metal molybdates with two types of Mo‒O chains, ABMo3O10 (A = Li, B = Rb; A = Li, Na, K, B = Cs): synthesis, structure comparison and optical properties","New Journal of Chemistry","2018","42","13","10879","","10.1039/C8NJ01893F","","","0.71073","MoKα","","0.0364","0.0243","","","0.0418","0.0451","","","","","","1.051","","","","has coordinates","230367","2020-10-21","18:00:00",""
"7057443","8.652","0.002","7.5688","0.0018","13.895","0.003","90","","90","","90","","909.9","0.4","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cs Li Mo3 O10 -","- Cs Li Mo3 O10 -","- Cs4 Li4 Mo12 O40 -","4","0.5","","Han, Shujuan; Zhang, Bingbing; Tong, Tinghao; Yang, Zhihua; Pan, Shilie","Four alkali metal molybdates with two types of Mo‒O chains, ABMo3O10 (A = Li, B = Rb; A = Li, Na, K, B = Cs): synthesis, structure comparison and optical properties","New Journal of Chemistry","2018","42","13","10879","","10.1039/C8NJ01893F","","","0.71073","MoKα","","0.0264","0.0208","","","0.0394","0.0443","","","","","","1.087","","","","has coordinates","230367","2020-10-21","18:00:00",""
"7057444","7.75","0.005","7.612","0.005","15.6","0.01","90","","90","","90","","920.3","1","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cs Mo3 Na O10 -","- Cs Mo3 Na O10 -","- Cs4 Mo12 Na4 O40 -","4","0.5","","Han, Shujuan; Zhang, Bingbing; Tong, Tinghao; Yang, Zhihua; Pan, Shilie","Four alkali metal molybdates with two types of Mo‒O chains, ABMo3O10 (A = Li, B = Rb; A = Li, Na, K, B = Cs): synthesis, structure comparison and optical properties","New Journal of Chemistry","2018","42","13","10879","","10.1039/C8NJ01893F","","","0.71073","MoKα","","0.0331","0.0246","","","0.0454","0.048","","","","","","1.03","","","","has coordinates","230367","2020-10-21","18:00:00",""
"7057595","8.58","0.0017","15.794","0.003","11.736","0.002","90","","90","","90","","1590.4","0.5","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 Cd I2 N4 -","- C12 H10 Cd I2 N4 -","- C48 H40 Cd4 I8 N16 -","4","0.5","","Notash, Behrouz; Rezaei Kheirkhah, Bahareh","The effect of solvent on one-dimensional cadmium coordination polymers","New Journal of Chemistry","2018","42","18","15014","","10.1039/C8NJ02110D","","","0.71073","MoKα","","0.0549","0.0389","","","0.0874","0.0917","","","","","","0.949","","","","has coordinates","230490","2020-10-21","18:00:00",""
"7057754","19.8951","0.0011","6.7525","0.0004","8.0436","0.0004","90","","90","","90","","1080.59","0.1","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H11 N3 O2 S -","- C10 H11 N3 O2 S -","- C40 H44 N12 O8 S4 -","4","0.5","","Ramezanpour, Sorour; Rezaei, Mohammad Nasim; Vaezghaemi, Aref; Rominger, Frank","Facile synthesis of novel 3,4,5-trisubstituted-1,2,4-triazin-6(1H)-ones via a sequential Ugi‒Smiles type/nucleophilic substitution/cyclization reaction","New Journal of Chemistry","2018","42","21","17533","","10.1039/C8NJ03949F","","","0.71073","MoKα","","0.0532","0.0401","","","0.0947","0.1019","","","","","","1.047","","","","has coordinates","230515","2020-10-21","18:00:00",""
"7058071","7.5145","0.0011","6.2774","0.0009","13.7315","0.0019","90","","90","","90","","647.74","0.16","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C3 H2 Cl N7 -","- C3 H2 Cl N7 -","- C12 H8 Cl4 N28 -","4","0.5","","Wang, Guilong; Lu, Tian; Fan, Guijuan; Yin, Hongquan; Chen, Fu-Xue","Synthesis and properties of insensitive [1,2,4]triazolo[4,3-b]-1,2,4,5-tetrazine explosives","New Journal of Chemistry","2019","43","4","1663","","10.1039/C8NJ05220D","","","0.71073","MoKα","","0.0312","0.0295","","","0.0897","0.0919","","","","","","1.027","","","","has coordinates","224800","2020-10-21","18:00:00",""
"7058266","14.9844","0.0006","17.5943","0.0007","7.8829","0.0003","90","","90","","90","","2078.25","0.14","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H30 O2 Ti -","- C24 H30 O2 Ti -","- C96 H120 O8 Ti4 -","4","0.5","","Petrov, Pavel A.; Sukhikh, Taisiya S.; Nadolinny, Vladimir A.; Bogomyakov, Artem S.; Laricheva, Yuliya A.; Piskunov, Alexandr V.","Di-tert-butylcatecholate derivatives of titanocene","New Journal of Chemistry","2019","43","17","6636","","10.1039/C9NJ00771G","","x-ray","0.71073","MoKα","","0.0353","0.0341","","","0.0885","0.0896","","","","","","1.063","","","","has coordinates,has disorder","224803","2020-10-21","18:00:00",""
"7058369","12.661","0.003","5.8589","0.0016","7.325","0.002","90","","90","","90","","543.4","0.2","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca F K2 O4 P -","- Ca F K2 O4 P -","- Ca4 F4 K8 O16 P4 -","4","0.5","","Chai, Kun; Cheng, Shichao; Li, Hongyi; Dai, Bin","Modulation of perovskite-related frameworks induced by alkaline earth metals in phosphate fluorides A2MPO4F (A = K, Rb; M = Ba, Ca)","New Journal of Chemistry","2019","43","20","7839","","10.1039/C9NJ01051C","","","0.71073","MoKα","","0.0751","0.0727","","","0.1725","0.1735","","","","","","1.247","","","","has coordinates","224864","2020-10-21","18:00:00",""
"7058370","12.895","0.009","5.97","0.004","7.436","0.005","90","","90","","90","","572.4","0.7","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca F O4 P Rb2 -","- Ca F O4 P Rb2 -","- Ca4 F4 O16 P4 Rb8 -","4","0.5","","Chai, Kun; Cheng, Shichao; Li, Hongyi; Dai, Bin","Modulation of perovskite-related frameworks induced by alkaline earth metals in phosphate fluorides A2MPO4F (A = K, Rb; M = Ba, Ca)","New Journal of Chemistry","2019","43","20","7839","","10.1039/C9NJ01051C","","","0.71073","MoKα","","0.0293","0.0218","","","0.0468","0.0504","","","","","","1.01","","","","has coordinates","224864","2020-10-21","18:00:00",""
"7058420","7.3583","0.0001","29.4166","0.0005","7.9008","0.0001","90","","90","","90","","1710.18","0.04","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H12 Cl4 N4 Pd -","- C14 H12 Cl4 N4 Pd -","- C56 H48 Cl16 N16 Pd4 -","4","0.5","","Patra, Sarat Chandra; Saha Roy, Amit; Banerjee, Saswati; Banerjee, Ananya; Das Saha, Krishna; Bhadra, Ranjan; Pramanik, Kausikisankar; Ghosh, Prasanta","Palladium(ii) and platinum(ii) complexes of glyoxalbis(N-aryl)osazone: molecular and electronic structures, anti-microbial activities and DNA-binding study","New Journal of Chemistry","2019","43","25","9891","","10.1039/C9NJ00223E","","","0.71073","MoKα","","0.0426","0.0379","","","0.0806","0.0827","","","","","","1.28","","","","has coordinates","224852","2020-10-21","18:00:00",""
"7058572","15.7046","0.001","19.0277","0.001","8.456","0.0005","90","","90","","90","","2526.8","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C5 H4 N4 O6 -","- C5 H4 N4 O6 -","- C60 H48 N48 O72 -","12","1.5","","Thaltiri, Vikranth; Chavva, Kurumurthy; Kumar, B. Sathish; Panda, Pradeepta K.","Efficient synthesis of N-methyltetranitropyrrole: A stable, insensitive and high energy melt-castable material","New Journal of Chemistry","2019","43","31","12318","","10.1039/C9NJ01227C","","","0.71073","MoKα","","0.0394","0.0375","","","0.1373","0.1399","","","","","","1.173","","","","has coordinates","224906","2020-10-21","18:00:00",""
"7058775","12.1852","0.0008","7.0366","0.0003","7.5024","0.0005","90","","90","","90","","643.27","0.07","101","2","101","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H6 Cl F2 N O4 -","- C3 H6 Cl F2 N O4 -","- C12 H24 Cl4 F8 N4 O16 -","4","0.5","","Chen, Jifeng; Yu, Yi; Zhang, Shujuan; Li, Yuchuan; Pang, Siping","Energetic materials with fluorinated four-membered heterocyclic ring: 3,3′-difluoroazetidine (DFAZ) salts","New Journal of Chemistry","2019","43","38","15115","","10.1039/C9NJ02569C","","","0.71073","MoKα","","0.0813","0.0781","","","0.1893","0.1904","","","","","","1.147","","","","has coordinates,has disorder","224986","2020-10-21","18:00:00",""
"7058888","8.4098","0.0003","12.8036","0.0007","14.2437","0.0006","90","","90","","90","","1533.7","0.12","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C13 H8 K N3 Ni O4 S -","- C13 H8 K N3 Ni O4 S -","- C52 H32 K4 N12 Ni4 O16 S4 -","4","0.5","","Abedi, Marjan; Mahmoudi, Ghodrat; Hayati, Payam; Machura, Barbara; Zubkov, Fedor Ivanovich; Mohammadi, Khosro; Bahrami, Shima; Derikvandi, Hadis; Mehrabadi, Zohreh; Kirillov, Alexander M.","3D heterometallic Ni(II)/K(I) MOF with a rare rna topology: synthesis, structural features, and photocatalytic dye degradation modeling","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04382A","","","0.71073","MoKα","","0.032","0.0259","","","0.0576","0.0597","","","","","","1.044","","","","has coordinates","219350","2020-10-21","18:00:00",""
"7059148","9.1581","0.0004","18.9842","0.0009","14.3431","0.0006","90","","90","","90","","2493.68","0.19","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H33 B1.83 Co2 S6.17 -","- C20 H31 B1.83 Co2 S6.172 -","- C80 H124 B7.32 Co8 S24.688 -","4","0.5","","Joseph, Benson; Prakash, Rini; Pathak, Kriti; Roisnel, Thierry; Kahlal, Samia; Halet, Jean-François; Ghosh, Sundargopal","A combined experimental and theoretical study of bimetallic bis- and tris-homocubane analogues","New Journal of Chemistry","2020","44","3","674","683","10.1039/C9NJ05117A","","","0.71073","MoKα","","0.0416","0.037","","","0.0896","0.0934","","","","","","1.086","","","","has coordinates,has disorder","257904","2020-10-21","18:00:00",""
"7059403","15.6","0.03","5.237","0.009","9.588","0.017","90","","90","","90","","783","2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- K0 Mg O7 P2 Rb2 -","- Mg O7 P2 Rb2 -","- Mg4 O28 P8 Rb8 -","4","0.5","","Qian, Zhen; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Synthesis, structure and characterization of three new Mg-containing phosphates with deep-UV cut-off edges","New Journal of Chemistry","2020","44","17","6771","6777","10.1039/C9NJ06311K","","","0.71073","MoKα","","0.1659","0.0581","","","0.0942","0.1227","","","","","","0.936","","","","has coordinates","257733","2020-10-21","18:00:00",""
"7059740","9.7622","0.0005","22.7394","0.001","11.8095","0.0006","90","","90","","90","","2621.6","0.2","175","","175","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H26 O4 S2 Si -","- C30 H26 O4 S2 Si -","- C120 H104 O16 S8 Si4 -","4","0.5","","Roger, Maxime; Amro, Kassem; Rault-Berthelot, Joëlle; Quiot, Mathias; Van der Lee, Arie; Poriel, Cyril; Richeter, Sébastien; Clément, Sébastien; Gerbier, Philippe","Synthesis, photophysical and electropolymerization properties of thiophene-substituted 2,3-diphenylbuta-1,3-dienes","New Journal of Chemistry","2020","44","29","12556","12567","10.1039/D0NJ02382E","","","0.71073","MoKα","","0.0452","0.0452","","0.0378","0.0378","0.0378","","","","","","1.1738","","","","has coordinates,has disorder","257631","2020-10-21","18:00:00",""
"7059792","14.938","0.003","19.323","0.004","8.082","0.0016","90","","90","","90","","2332.8","0.8","113.15","","113.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13 H26 I4 N2 Ni S2 -","- C13 H26 I4 N2 Ni S2 -","- C52 H104 I16 N8 Ni4 S8 -","4","0.5","","Song, Li-Cheng; Chen, Wei; Feng, Li","Two heterodinuclear NiFe-based sulfenate complexes mimicking an S-oxygenated intermediate of an O2-tolerant [NiFe]-H2ase: synthesis, structures, and reactivity","New Journal of Chemistry","2020","44","33","14015","14023","10.1039/D0NJ02586K","","","0.71073","MoKα","","0.0446","0.0372","","","0.0769","0.0808","","","","","","1.17","","","","has coordinates","257705","2020-10-21","18:00:00",""
"7059948","11.1289","0.0004","15.0127","0.0006","10.5764","0.0005","90","","90","","90","","1767.05","0.13","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H19 Cl2 Cu N S2 -","- C16 H19 Cl2 Cu N S2 -","- C64 H76 Cl8 Cu4 N4 S8 -","4","0.5","","Durigon, Daniele Cocco; Maragno Peterle, Marcos; Bortoluzzi, Adailton João; Ribeiro, Ronny Rocha; Braga, Antonio Luiz; Peralta, Rosely Aparecida; Neves, Ademir","Cu(ii) complexes with tridentate sulfur and selenium ligands: catecholase and hydrolysis activity","New Journal of Chemistry","2020","44","36","15698","15707","10.1039/D0NJ02806A","","","0.71073","MoKα","","0.0348","0.0264","","","0.0587","0.0638","","","","","","1.084","","","","has coordinates","258919","2020-11-06","12:47:53",""
"7059949","11.0926","0.0006","15.3632","0.0009","10.7113","0.0006","90","","90","","90","","1825.4","0.18","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H19 Cl2 Cu N Se2 -","- C16 H19 Cl2 Cu N Se2 -","- C64 H76 Cl8 Cu4 N4 Se8 -","4","0.5","","Durigon, Daniele Cocco; Maragno Peterle, Marcos; Bortoluzzi, Adailton João; Ribeiro, Ronny Rocha; Braga, Antonio Luiz; Peralta, Rosely Aparecida; Neves, Ademir","Cu(ii) complexes with tridentate sulfur and selenium ligands: catecholase and hydrolysis activity","New Journal of Chemistry","2020","44","36","15698","15707","10.1039/D0NJ02806A","","","0.71073","MoKα","","0.0414","0.0272","","","0.0555","0.0613","","","","","","1.056","","","","has coordinates","258919","2020-11-06","12:47:59",""
"7060030","16.2737","0.0004","14.3408","0.0003","9.2087","0.0002","90","","90","","90","","2149.11","0.08","90","0.2","90","0.2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H17 Cl6 N S Sb -","- C16 H17 Cl6 N S Sb -","- C64 H68 Cl24 N4 S4 Sb4 -","4","0.5","","Attanayake, N. Harsha; Kaur, Aman Preet; Suduwella, T. Malsha; Elliott, Corrine F.; Parkin, Sean R.; Odom, Susan A.","A stable, highly oxidizing radical cation","New Journal of Chemistry","2020","44","42","18138","18148","10.1039/D0NJ04434B","","","0.71073","MoKα","","0.0136","0.0129","","","0.0319","0.0322","","","","","","1.189","","","","has coordinates,has disorder","258905","2020-11-06","12:44:52",""
"7060209","8.435","0.007","15.806","0.013","8.468","0.007","90","","90","","90","","1129","1.6","296","2","296.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cl5 H12 N3 Pb -","- Cl5 H12 N3 Pb -","- Cl20 H48 N12 Pb4 -","4","0.5","","Zhu, Liang; Jin, Wenqi; Yang, Zhihua; Yang, Yun; Pan, Shilie","The synthesis, characterization, and theoretical analysis of (NH4)3PbCl5","New Journal of Chemistry","2021","45","4","2038","2043","10.1039/D0NJ05771A","","","0.71073","MoKα","","0.0326","0.0262","","","0.0682","0.0712","","","","","","1.135","","","","has coordinates","261734","2021-02-04","23:26:51",""
"7060419","28.21","0.02","59.04","0.04","8.653","0.007","90","","90","","90","","14412","18","298","2","298","2","","","","","","","","8","P n m a","-P 2ac 2n","62","RuPt","","","- C62 H70 F24 N10 O5 P4 Pt Ru -","- C50 H36 F24 N10 P4 Pt Ru -","- C400 H288 F192 N80 P32 Pt8 Ru8 -","8","1","","Jiang, Qin; Yang, Xinda; Xiang, Pan; Dudek, Marta; Matczyszyn, Katarzyna; Samoc, Marek; Tian, Xiaohe; Zhang, Qiong; Luo, Yuhui; Wang, Daqi; Shi, Pengfei","Self-assembled heterometallic complexes showing enhanced two-photon absorption and their distribution in living cells","New Journal of Chemistry","2021","45","11","4994","5001","10.1039/D0NJ05219A","","","0.71073","MoKα","","0.2298","0.0882","","","0.1158","0.1332","","","","","","0.982","","","","has coordinates","263811","2021-04-05","15:11:49",""
"7060493","19.9123","0.0018","20.962","0.0018","19.6197","0.0017","90","","90","","90","","8189.3","1.2","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C83 H75 Ag3 F6 O6 P6 S2 -","- C83 H75 Ag3 F6 O6 P6 S2 -","- C332 H300 Ag12 F24 O24 P24 S8 -","4","0.5","","Han, Chu-Xia; Shao, Zi-Mo; Li, Li; Zhou, Kun; Xue, Chun-Hui; Chen, Bao-Kuan; Ji, Jiu-Yu; Bi, Yan-Feng","Trinuclear cationic silver nanoclusters based-on bis-(phosphine) ligands and stabilized by CF3SO3− anions","New Journal of Chemistry","2021","45","17","7555","7563","10.1039/D1NJ00873K","","","0.71073","MoKα","","0.0843","0.054","","","0.1225","0.1383","","","","","","1.045","","","","has coordinates,has disorder","266122","2021-06-05","19:18:33",""
"7060496","19.215","0.0005","7.7578","0.0003","6.2397","0.0002","90","","90","","90","","930.13","0.05","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- F7 H10 N3 O3 Ru Si -","- F7 H10 N3 O3 Ru Si -","- F28 H40 N12 O12 Ru4 Si4 -","4","0.5","","Mikhailov, Artem A.; Komarov, Vladislav Yu.; Pishchur, Denis P.; Schaniel, Dominik; Kostin, Gennadiy A.","Nitrosyl linkage photoisomerization in heteroleptic fluoride ruthenium complexes derived from labile nitrate precursors","New Journal of Chemistry","2021","45","18","8192","8202","10.1039/D1NJ01038G","","","0.71073","MoKα","","0.0284","0.0272","","","0.0542","0.0546","","","","","","1.262","","","","has coordinates","266148","2021-06-05","19:22:56",""
"7060578","17.3774","0.0004","28.6511","0.0007","7.6327","0.0002","90","","90","","90","","3800.18","0.16","298.15","","298.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H27 Bi2 Cl4 N9 S2 -","- C30 H27 Bi2 Cl4 N9 S2 -","- C120 H108 Bi8 Cl16 N36 S8 -","4","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","x-ray","0.71073","MoKα","","0.0509","0.0354","","","0.0641","0.0684","","","","","","1.046","","","","has coordinates,has disorder","266137","2021-06-05","19:20:48",""
"7060889","8.0138","0.0004","28.7538","0.0015","10.6307","0.0006","90","","90","","90","","2449.6","0.2","100","2","99.99","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C25 H18 Ag F5 N4 O3 S -","- C25 H18 Ag F5 N4 O3 S -","- C100 H72 Ag4 F20 N16 O12 S4 -","4","0.5","","Adeleke, Adesola A.; Islam, Md. Shahidul; Olofinsan, Kolawole; Salau, Veronica F.; Mocktar, Chunderika; Omondi, Bernard","Evaluation of substituent bioactivity and anion impact of linear and T-shaped silver(i) pyridinyl complexes as potential antiproliferative, antioxidant, antimicrobial agents and DNA- and BSA-binders","New Journal of Chemistry","2021","45","38","17827","17846","10.1039/D1NJ03231C","","x-ray","0.71073","MoKα","","0.0274","0.0236","","","0.0548","0.0568","","","","","","1.079","","","","has coordinates,has disorder","269767","2021-10-06","16:06:25",""
"7060927","8.9108","0.0006","5.2991","0.0004","8.3414","0.0006","90","","90","","90","","393.87","0.05","302","","302","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Cl N O3 -","- Ba Cl N O3 -","- Ba4 Cl4 N4 O12 -","4","0.5","","Chen, Zhen; Zeng, Hao; Han, Shujuan; Yang, Zhihua; Pan, Shilie","From BaCl2 to Ba(NO3)Cl: significantly enhanced birefringence derived from π-conjugated [NO3]","New Journal of Chemistry","2021","45","37","17544","17550","10.1039/D1NJ03282H","","","0.71073","MoKα","","0.0236","0.0166","","","0.0277","0.0295","","","","","","1.005","","","","has coordinates","269742","2021-10-06","16:00:38",""
"7061191","6.8","0.0014","7.5","0.0015","24.2","0.005","90","","90","","90","","1234.2","0.4","153.15","","153.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H20 N16 Na4 O12 -","- C6 H20 N16 Na4 O12 -","- C12 H40 N32 Na8 O24 -","2","0.25","","Li, Haibo; Wang, Yanna; Wei, Zhenghe; Xia, Lianghong; Li, Zhimin; Zhang, Tonglai","Alkaline metal and alkaline earth metal salts of di(1H-tetrazol-5-yl)methanone (DTO): energetic catalysts for ammonium perchlorate decomposition","New Journal of Chemistry","2022","46","9","4462","4469","10.1039/D1NJ04594F","","","0.71073","MoKα","","0.0865","0.0844","","","0.1869","0.1878","","","","","","1.264","","","","has coordinates","273402","2022-03-04","22:21:12",""
"7061269","8.3958","0.0006","6.676","0.0004","4.827","0.0003","90","","90","","90","","270.56","0.03","100","0.3","100","0.3","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cu O4 S -","- Cu O4 S -","- Cu4 O16 S4 -","4","0.5","","Ibrahim, Mukaila A.; Boeré, René T.","The copper sulfate hydration cycle. Crystal structures of CuSO4 (Chalcocyanite), CuSO4·H2O (Poitevinite), CuSO4·3H2O (Bonattite) and CuSO4·5H2O (Chalcanthite) at low temperature using non-spherical atomic scattering factors","New Journal of Chemistry","2022","46","12","5479","5488","10.1039/D2NJ00169A","","x-ray","0.71073","MoKα","","0.0235","0.0205","","","0.052","0.0535","","","","","","1.0215","","","","has coordinates","275047","2022-05-05","20:50:34",""
"7061330","18.684","0.002","11.9988","0.0014","10.0984","0.001","90","","90","","90","","2263.9","0.4","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H36 As2 N4 Pb -","- C16 H35 As2 N4 Pb -","- C64 H140 As8 N16 Pb4 -","4","0.5","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","0.71073","MoKα","","0.0363","0.0316","","","0.0776","0.0794","","","","","","1.071","","","","has coordinates,has disorder","275032","2022-05-05","20:47:14",""
"7061544","23.3823","0.0009","6.834","0.0004","9.4859","0.0005","90","","90","","90","","1515.8","0.13","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H23 Cl Co N7 O5 -","- C7 H23 Cl Co N7 O5 -","- C28 H92 Cl4 Co4 N28 O20 -","4","0.5","","Darii, Mariana; Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Bourosh, Paulina; Chumakov, Yurii; Hauser, Jürg; Decurtins, Silvio; Liu, Shi-Xia; Sultanova, Olga; Baca, Svetlana G.","Crystalline multicomponent compounds involving hexaammine cobalt(iii) cations","New Journal of Chemistry","2022","46","23","11404","11421","10.1039/D2NJ01655A","","","0.71073","MoKα","","0.0518","0.0381","","","0.0783","0.0854","","","","","","1.055","","","","has coordinates","276663","2022-07-06","08:28:27",""
"7061561","8.7406","0.0008","28.034","0.005","8.0013","0.0008","90","","90","","90","","1960.6","0.4","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H18 Br2 Cu N2 O5 -","- C18 H18 Br2 Cu N2 O5 -","- C72 H72 Br8 Cu4 N8 O20 -","4","0.5","","Mohan, Nithya; Vidhya, C. V.; Suni, V.; Mohamed Ameer, Jimna; Kasoju, Naresh; Mohanan, P. V.; Sreejith, S. S.; Prathapachandra Kurup, M. R.","Copper(ii) salen-based complexes as potential anticancer agents","New Journal of Chemistry","2022","46","26","12540","12550","10.1039/D2NJ02170F","","","0.71073","MoKα","","0.1305","0.0531","","","0.0996","0.1199","","","","","","1.026","","","","has coordinates,has disorder","277131","2022-08-06","11:57:36",""
"7061614","12.8331","0.0013","6.4142","0.0007","12.1223","0.0014","90","","90","","90","","997.84","0.19","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C7 H7 N7 O3 -","- C7 H7 N7 O3 -","- C28 H28 N28 O12 -","4","0.5","","Hu, Yong; Lu, Zu-Jia; Dong, Wen-Shuai; Zhang, Jian-Guo; Sinditskii, Valery P.","Detonation performance enhancement through a positional isomerism modification strategy","New Journal of Chemistry","2022","46","29","13874","13879","10.1039/D2NJ02515A","","","0.71073","MoKα","","0.0722","0.0528","","","0.1412","0.156","","","","","","1.081","","","","has coordinates,has disorder","277114","2022-08-06","11:54:45",""
"7061854","8.6022","0.0009","11.3914","0.001","26.1587","0.0018","90","","90","","90","","2563.3","0.4","294","2","294","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C21 H29 Cl4 Ir N2 O S -","- C21 H29 Cl4 Ir N2 O S -","- C84 H116 Cl16 Ir4 N8 O4 S4 -","4","0.5","","Dkhar, Lincoln; Gupta, Hrishikesh; Poluri, Krishna Mohan; Gannon, Paige M.; Kaminsky, Werner; Kollipara, Mohan Rao","Influence of counterions on the formation of supramolecular platinum group metal complexes containing pyridyl thioamide derivatives: antioxidant and antimicrobial studies","New Journal of Chemistry","2022","46","40","19241","19253","10.1039/D2NJ03108F","","x-ray","0.71073","MoKα","","0.057","0.0511","","","0.114","0.1175","","","","","","1.086","","","","has coordinates,has disorder","279025","2022-11-07","05:46:22",""
"7061857","8.5828","0.0007","11.3841","0.0016","26.096","0.002","90","","90","","90","","2549.8","0.5","291","2","291","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C21 H29 Cl4 N2 O Rh S -","- C21 H29 Cl4 N2 O Rh S -","- C84 H116 Cl16 N8 O4 Rh4 S4 -","4","0.5","","Dkhar, Lincoln; Gupta, Hrishikesh; Poluri, Krishna Mohan; Gannon, Paige M.; Kaminsky, Werner; Kollipara, Mohan Rao","Influence of counterions on the formation of supramolecular platinum group metal complexes containing pyridyl thioamide derivatives: antioxidant and antimicrobial studies","New Journal of Chemistry","2022","46","40","19241","19253","10.1039/D2NJ03108F","","x-ray","0.71073","MoKα","","0.0705","0.0487","","","0.0951","0.1068","","","","","","1.076","","","","has coordinates,has disorder","279025","2022-11-07","05:46:53",""
"7061903","7.8514","0.0008","22.467","0.002","12.0991","0.0014","90","","90","","90","","2134.2","0.4","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H17 N Ni O13 -","- C22 H17 N Ni O13 -","- C88 H68 N4 Ni4 O52 -","4","0.5","","Yan, Yang-Tian; Ge, Lei; Wu, Yun-Long; Cai, Wei; Tang, Peng-Fei; Zhang, Wen-Yan; Wang, Yao-Yu","Two new Ni/Co-MOFs as electrocatalysts for the oxygen evolution reaction in alkaline electrolytes","New Journal of Chemistry","2022","46","39","18996","19001","10.1039/D2NJ03815C","","","0.71073","MoKα","","0.0435","0.0322","","","0.0824","0.0888","","","","","","1.017","","","","has coordinates","279013","2022-11-07","05:40:25",""
"7061904","7.9535","0.0007","22.571","0.002","12.056","0.0011","90","","90","","90","","2164.3","0.3","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H17 Co N O13 -","- C22 H17 Co N O13 -","- C88 H68 Co4 N4 O52 -","4","0.5","","Yan, Yang-Tian; Ge, Lei; Wu, Yun-Long; Cai, Wei; Tang, Peng-Fei; Zhang, Wen-Yan; Wang, Yao-Yu","Two new Ni/Co-MOFs as electrocatalysts for the oxygen evolution reaction in alkaline electrolytes","New Journal of Chemistry","2022","46","39","18996","19001","10.1039/D2NJ03815C","","","0.71073","MoKα","","0.0374","0.03","","","0.0783","0.0826","","","","","","1.077","","","","has coordinates","279013","2022-11-07","05:40:25",""
"7061930","6.395","0.002","9.493","0.003","14.804","0.004","90","","90","","90","","898.7","0.5","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H11 Cl3 Mn N2 -","- C3 H11 Cl3 Mn N2 -","- C12 H44 Cl12 Mn4 N8 -","4","0.5","","You, Xiuli; Wang, Lingyu; Peng, Ziqin; Wei, Zhenhong","Two manganese chloride organic–inorganic hybrid compounds showing strong luminescence and switchable phase transition and dielectric anomaly","New Journal of Chemistry","2022","46","41","20005","20009","10.1039/D2NJ03588J","","","0.71073","MoKα","","0.0488","0.0442","","","0.1032","0.1057","","","","","","1.12","","","","has coordinates,has disorder","278995","2022-11-07","05:35:05",""
"7062333","10.674","0.0013","4.12","0.0006","13.409","0.002","90","","90","","90","","589.69","0.14","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Ce Cu S3 -","- Ba Ce Cu S3 -","- Ba4 Ce4 Cu4 S12 -","4","0.5","","Shahid, Omair; Yadav, Sweta; Maity, Debanjan; Deepa, Melepurath; Niranjan, Manish K.; Prakash, Jai","Synthesis, crystal structure, DFT, and photovoltaic studies of BaCeCuS3","New Journal of Chemistry","2023","47","11","5378","5389","10.1039/D2NJ06301H","","","0.71073","MoKα","","0.0249","0.0211","","","0.0476","0.0491","","","","","","1.068","","","","has coordinates","283418","2023-05-05","03:06:25",""
"7062978","14.1035","0.0003","6.3113","0.0002","9.5102","0.0002","90","","90","","90","","846.52","0.04","298.68","0.1","298.68","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H9 N6 O2 -","- C6 H8 N6 O2 -","- C24 H32 N24 O8 -","4","0.5","","Geng, Yanxue; Sun, Weijun; Zhang, Weixu; Li, Mengyao; Wang, Guo; Wang, Jianchun","A new class of unique quinoidal-like imidazoliumyl tetrazinides: synthesis, structure, and mechanism","New Journal of Chemistry","2024","48","8","3467","3471","10.1039/D3NJ04766K","","x-ray","1.54184","CuKα","","0.1227","0.117","","","0.2392","0.2478","","","","","","1.071","","","","has coordinates,has disorder","290231","2024-03-04","20:34:47",""
"7100007","7.1305","0.0014","34.505","0.007","6.8846","0.0014","90","","90","","90","","1693.9","0.6","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C80 H80 O12 S4 -","4","0.5","","Aitipamula Srinivasulu; Ashwini Nangia","Concomitant polymorphs of 2,2',6,6'-tetramethyl-4,4'-terphenyldiol: the b-quinol network reproduced in a metastable polymorph","Chemical Communications","2005","","","","","10.1039/b500665a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100056","16.3302","0.001","24.7253","0.0015","8.7079","0.0005","90","","90","","90","","3516","0.4","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C27 H15.5 Cl F12 N2 O8 Rh2 -","- C27.02 H15.54 Cl1.04 F12 N2 O8 Rh2 -","- C108.08 H62.16 Cl4.16 F48 N8 O32 Rh8 -","4","0.5","","Marina Petrukhina; Vladimir V. Chernyshev; Evgeny V. Dikarev; Bo Li.; Roman V. Shpanchenko","Coordination Polymers Formed in Solution and in Solvent-Free Environment. Structural Transformation due to Interstitial Solvent Removal Revealed by X-ray Powder Diffraction","Chemical Communications","2005","","","","","10.1039/b503748d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100090","15.613","0.003","21.793","0.004","5.0901","0.0005","90","","90","","90","","1731","1","120","1","120","1","","","","","","","","4","P n m a","-P 2ac 2n","62","Heptamethylene-(R,S)-(±)-bis(3,3,3-trifluorolactate)","","","- C13 H18 F6 O6 -","- C13 H18 F6 O6 -","- C52 H72 F24 O24 -","4","0.5","","","","Chemical Communications","2005","","","","","10.1039/b504676a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100092","15.7479","0.0005","27.1355","0.001","5.0309","0.0001","90","","90","","90","","2149.84","0.11","100","1","100","1","","","","","","","","4","P n m a","-P 2ac 2n","62","Nonamethylene-(R,S)-(±)-bis(3,3,3-trifluorolactate) hexane ether H2O mixed solvate","","","- C21 H36 F6 O6 -","- C15 H22 F6 O6 -","- C60 H88 F24 O24 -","4","0.5","","","","Chemical Communications","2005","","","","","10.1039/b504676a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100331","11.343","0.005","12.087","0.005","13.837","0.005","90","","90","","90","","1897.1","1.3","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6.5 H8 B0.5 Cl2 N2 S Ta0.5 -","- C6.5 H8 B0.5 Cl2 N2 S Ta0.5 -","- C52 H64 B4 Cl16 N16 S8 Ta4 -","8","1","","","","Chemical Communications","2005","","","","","10.1039/b415852k","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100434","9.1349","0.0018","26.78","0.005","8.5459","0.0017","90","","90","","90","","2090.6","0.7","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H13.5 Cl3.5 Cu1.5 N O -","- C4 H13.5 Cl3.5 Cu1.5 N O -","- C32 H108 Cl28 Cu12 N8 O8 -","8","1","","T. Chivers; Zhiyong Fu.; L. Thompson","Structure and Magnetic Properties of a Novel Copper Halide Framework {[tBuNH3]2[Cu3(ì3-OH)( ì2-H2O)Cl7]}n Synthesized via in situ Templation","Chemical Communications","2005","","","","","10.1039/b501040c","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100530","10.325","0.005","13.531","0.005","9.72","0.005","90","","90","","90","","1358","1.1","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Bis(acetonitril)tetrachlorotechnetium(VI) Acetonitril solvate","","","- C6 H9 Cl4 N3 Tc -","- C6 H9 Cl4 N3 Tc -","- C24 H36 Cl16 N12 Tc4 -","4","0.5","","Abram, U.; Yegen, E.; Hagenbach, A.","[TcCl4(H2O)2] and [Cl3(H2O)2TcOTc(H2O)2Cl3] ‒ Two Molecular Intermediates of the Hydrolysis of Technetium(IV)","Chemical Communications (Cambridge, United Kingdom)","2005","","44","5575","5577","10.1039/b509686c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","210945","2020-10-21","18:00:00",""
"7100696","20.1923","0.0007","17.1332","0.0006","9.1763","0.0003","90","","90","","90","","3174.62","0.19","150","","150","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C27 H42 Cl3 N5 O Si Zr -","- C27 H42 Cl3 N5 O Si Zr -","- C108 H168 Cl12 N20 O4 Si4 Zr4 -","4","0.5","","Philip Mountford; Andrew R. Cowley; Robert G. Howe; Sally C. Lawrence; Suparabhorn Subongkoj; Cara S. Tredget","A Novel Transformation of a Zirconium Imido Compound and the Development of a New Class of N3 Donor Heteroscorpionate Ligand","Chemical Communications","2006","","","","","10.1039/b513927a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100767","10.778","0.002","14.142","0.003","8.4526","0.0002","90","","90","","90","","1288.4","0.4","295","2","295","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C5 H2 F6 N3 S2 Sb Se2 -","- C5 H2 F6 N3 S2 Sb Se2 -","- C20 H8 F24 N12 S8 Sb4 Se8 -","4","0.5","","Richard Oakley; Leanne Beer; Jaclyn L. Brusso; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Robert W. Reed; John F. Richardson","Selenium based neutral radical conductors","Chemical Communications","2005","","","","","10.1039/b416352d","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100873","22.74","0.013","4.171","0.002","12.472","0.007","90","","90","","90","","1183","1.1","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","CsBi3Se5","","","- Bi3 Cs Se5 -","- Bi3 Cs Se5 -","- Bi12 Cs4 Se20 -","4","0.5","","Mercouri Kanatzidis; Duck-Young Chung; Jun-Ho Kim","A New Homologous Series A2[M5+nSe9+n] (A = Rb, Cs; M = Bi, Ag, Cd) and its members ?-CsBi3Se5, Rb2CdBi6Se11, CsAg0.5Bi3.5Se6, CsCdBi3Se6, Rb2Ag1.5Bi7.5Se13, and Cs2Ag1.5Bi7.5Se13","Chemical Communications","2006","","","","","10.1039/b516790f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100876","26.512","0.008","4.1192","0.0013","12.396","0.004","90","","90","","90","","1353.7","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","CsCdBi3Se6","","","- Bi3 Cd Cs Se6 -","- Bi3.011 Cd0.99 Cs Se6 -","- Bi12.044 Cd3.96 Cs4 Se24 -","4","0.5","","Mercouri Kanatzidis; Duck-Young Chung; Jun-Ho Kim","A New Homologous Series A2[M5+nSe9+n] (A = Rb, Cs; M = Bi, Ag, Cd) and its members ?-CsBi3Se5, Rb2CdBi6Se11, CsAg0.5Bi3.5Se6, CsCdBi3Se6, Rb2Ag1.5Bi7.5Se13, and Cs2Ag1.5Bi7.5Se13","Chemical Communications","2006","","","","","10.1039/b516790f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100878","8.3269","0.0013","38.638","0.006","11.1203","0.0017","90","","90","","90","","3577.8","0.9","293","","293","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H28 Au N4 O5 Se8 -","- C28 H20 Au N4 O5 Se8 -","- C112 H80 Au4 N16 O20 Se32 -","4","0.5","","Takashi Shirahata; Tatsuro Imakubo; Megumi Kibune","New ambient pressure organic superconductors kH- and kL-(DMEDO-TSeF)2[Au(CN)4](THF)","Chemical Communications","2006","","","","","10.1039/b516940b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100945","25.951","0.005","23.306","0.005","17.579","0.004","90","","90","","90","","10632","4","153","2","153","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C37 H51 As Cl5 N3 O Sn -","- C37 H51 As Cl5 N3 O Sn -","- C296 H408 As8 Cl40 N24 O8 Sn8 -","8","1","","Alan H. Cowley; Gregor Reeske","Controlling the oxidation state of arsenic in cyclic arsenic cations","Chemical Communications","2006","","","","","10.1039/b602017h","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7101164","14.0065","0.001","11.6044","0.0011","8.5136","0.0005","90","","90","","90","","1383.8","0.2","153.1","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H25 Cl2 Cu N5 -","- C5 H25 Cl2 Cu N5 -","- C20 H100 Cl8 Cu4 N20 -","4","0.5","","Tomoaki Tanase; Merii Kato; Ajay Sah","Trinuclear coordinatively labile Cu(II) complex of 4,6-O-ethylidene-beta-D-glucopyranosylamine derived Schiff base ligand and its reactivity towards primary alcohols and amines","Chemical Communications","2005","","5","","","10.1039/b413923b","","","0.7107","MoKα","","","0.037","","","","0.048","","","","","","0.735","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101380","22.3307","0.0003","16.6863","0.0003","10.231","0.0001","90","","90","","90","","3812.24","0.09","173","2","173","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","","","","- C42 H51 N4 Tl -","- C42 H51 N4 Tl -","- C168 H204 N16 Tl4 -","4","0.5","","Michael Hill; Peter B. Hitchcock; Ruti Pongtavornpinyo","Aggregation of thallium(I) beta-diketiminates","Chemical Communications","2006","","35","","","10.1039/b607887g","","x-ray","0.71073","MoKα","","0.0421","0.0267","","","0.0512","0.0556","","","","","","1.045","","","","has coordinates","201926","2020-10-21","18:00:00",""
"7101493","11.9161","0.0018","11.8438","0.0018","15.996","0.002","90","","90","","90","","2257.5","0.6","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H22 Br N6 O3 Re -","- C19 H22 Br N6 O3 Re -","- C76 H88 Br4 N24 O12 Re4 -","4","0.5","","Richard S. Herrick; Tim J. Brunker; Caroline Maus; Kerianne Crandall; Anil Cetin; Christopher J. Ziegler","Aqueous preparation and physiological stability studies of Re(CO)3(tripodal) compounds","Chemical Communications","2006","","41","","","10.1039/b608683g","","","0.71073","MoKα","","0.0339","0.0277","","","0.0536","0.0554","","","","","","1.094","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101616","8.094","0.002","48.185","0.011","8.239","0.002","90","","90","","90","","3213.1","1.3","299","2","299","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H36 Cd Cl6 N4 -","- C28 H36 Cd Cl6 N4 -","- C112 H144 Cd4 Cl24 N16 -","4","0.5","","Chen, Chun-Long; Beatty, Alicia M","From crystal engineering to cluster engineering: How to transform cadmium chloride from 2-D to 0-D.","Chemical communications (Cambridge, England)","2007","","1","76","78","10.1039/b613761j","","","0.71073","MoKα","","0.0771","0.043","","","0.1051","0.1312","","","","","","1.167","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7101879","16.4477","0.0003","19.4046","0.0003","16.2221","0.0001","90","","90","","90","","5177.46","0.13","274","2","274","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C12 H54 N9 Ni6 O43 P W9 -","- C12 H42 N9 Ni6 O43 P W9 -","- C48 H168 N36 Ni24 O172 P4 W36 -","4","0.5","","Zheng, Shou-Tian; Yuan, Da-Qiang; Jia, Hong-Peng; Zhang, Jie; Yang, Guo-Yu","Combination between lacunary polyoxometalates and high-nuclear transition metal clusters under hydrothermal conditions: I. from isolated cluster to 1-D chain.","Chemical communications (Cambridge, England)","2007","","18","1858","1860","10.1039/b617191e","","","0.71073","MoKα","","","0.0409","","","0.0826","0.0864","","","","","","1.188","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7102064","12.8242","0.0006","24.6468","0.0013","8.0601","0.0004","90","","90","","90","","2547.6","0.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Bis(amidine)PdCl2 cyclohexane backbone","","","- C24 H24 Cl2 F6 N4 Pd -","- C24 H24 Cl2 F6 N4 Pd -","- C96 H96 Cl8 F24 N16 Pd4 -","4","0.5","","Wanniarachchi, Yoshitha A; Slaughter, LeGrande M","One-step assembly of a chiral palladium bis(acyclic diaminocarbene) complex and its unexpected oxidation to a bis(amidine) complex.","Chemical communications (Cambridge, England)","2007","","31","3294","3296","10.1039/b703769d","","x-ray","0.71073","MoKα","","0.0431","0.0342","","","0.0782","0.0825","","","","","","1.022","","","","has coordinates,has disorder","180122","2020-10-21","18:00:00",""
"7102080","16.535","0.005","6.558","0.002","9.621","0.003","90","","90","","90","","1043.2","0.5","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H12 Br3 Cu2 N -","- C4 H12 Br3 Cu2 N -","- C16 H48 Br12 Cu8 N4 -","4","0.5","","Rosokha, Sergiy V.; Lu, Jianjiang; Rosokha, Tetyana Y.; Kochi, Jay K.","Halogen-bonded assembly of hybrid inorganic/organic 3D-networks from dibromocuprate salts and tetrabromomethane","Chemical Communications (Cambridge, United Kingdom)","2007","","32","3383","3385","10.1039/b705882a","","","0.71073","MoKα","","0.0302","0.0246","","","0.0577","0.0599","","","","","","1.1","","","","has coordinates","210402","2020-10-21","18:00:00",""
"7102111","11.0218","0.0005","11.5559","0.0005","13.4953","0.0007","90","","90","","90","","1718.85","0.14","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H28 B9 Rh -","- C10 H15 B9 Rh -","- C40 H60 B36 Rh4 -","4","0.5","","Carr, Michael J.; Perera, Sarath D.; Jelínek, Tomáš; Štíbr, Bohumil; Clegg, William; Kilner, Colin A.; Kennedy, John D.","Macropolyhedral boron-containing cluster chemistry. The unique nido-five-vertex-〈B2〉-nido-ten-vertex conjuncto structure of [(η5-C5Me5)2Rh2B11H15] via an unexpected cluster-dismantling","Chemical Communications (Cambridge, United Kingdom)","2007","","34","3559","3561","10.1039/b709470a","","","0.71073","MoKα","","0.0579","0.0464","","","0.1056","0.1104","","","","","","1.168","","","","has coordinates","210407","2020-10-21","18:00:00",""
"7102562","12.878","0.0002","17.5935","0.0002","8.5676","0.0001","90","","90","","90","","1941.15","0.04","173","1","173","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H25 Cl2 N3 Ti -","- C16 H25 Cl2 N3 Ti -","- C64 H100 Cl8 N12 Ti4 -","4","0.5","","Tamm, Matthias; Randoll, Sören; Bannenberg, Thomas; Herdtweck, Eberhardt","Titanium complexes with imidazolin-2-iminato ligands.","Chemical communications (Cambridge, England)","2004","","7","876","877","10.1039/b401041h","","","0.71073","MoKα","","0.0403","0.0347","","","0.0877","0.0901","","","","","","1.212","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102698","24.723","0.002","24.201","0.002","17.649","0.0015","90","","90","","90","","10559.6","1.5","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C106 H126 Ni10 O31 -","- C106 H128 Ni10 O31 -","- C424 H512 Ni40 O124 -","4","0.5","","Shaw, Rachel; Tidmarsh, Ian S; Laye, Rebecca H; Breeze, Barbara; Helliwell, Madeleine; Brechin, Euan K; Heath, Sarah L; Murrie, Mark; Ochsenbein, Stefan; Gudel, Hans-Ulrich; McInnes, Eric J L","Supertetrahedral decametallic Ni(II) clusters directed by micro(6)-tris-alkoxides.","Chemical communications (Cambridge, England)","2004","","12","1418","1419","10.1039/b403876b","","","0.71073","MoKα","","0.0735","0.0504","","","0.1416","0.1576","","","","","","1.03","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102820","22.385","0.0014","9.1934","0.0005","13.2424","0.001","90","","90","","90","","2725.2","0.3","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H40 Cl3 Mn2 N8 O6 -","- C16 H40 Cl3 Mn2 N8 O6 -","- C64 H160 Cl12 Mn8 N32 O24 -","4","0.5","","Hill, Jonathan P.; Alam, Sher; Ariga, Katsuhiko; Anson, Christopher E.; Powell, Annie K.","Nanostructured microspheres of MnO2 formed by room temperature solution processing","Chemical Communications (Cambridge, United Kingdom)","2008","","3","383","385","10.1039/b713201h","","","0.71073","MoKα","","0.0954","0.048","","","0.0859","0.0903","","","","","","0.967","","","","has coordinates","210623","2020-10-21","18:00:00",""
"7102844","23.1451","0.0014","27.3976","0.0016","10.5482","0.0006","90","","90","","90","","6688.8","0.7","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C25 H28 N3 O14 S Zn3 -","- C25 H24 N3 O14 S Zn3 -","- C200 H192 N24 O112 S8 Zn24 -","8","1","","Horike, Satoshi; Bureekaew, Sareeya; Kitagawa, Susumu","Coordination pillared-layer type compounds having pore surface functionalization by anionic sulfonate groups.","Chemical communications (Cambridge, England)","2008","","4","471","473","10.1039/b715481j","","","0.7107","MoKα","","0.0904","0.087","","","0.2361","0.2396","","","","","","1.169","","","","has coordinates","180130","2020-10-21","18:00:00",""
"7102855","17.9779","0.0012","9.6907","0.0007","9.6462","0.0005","90","","90","","90","","1680.55","0.19","140","1","140","1","","","","","","","","6","P n m a","-P 2ac 2n","62","Compound A, X=CH2NH2","","","- C12 H14 Fe2 N2 O5 S2 -","- C12 H15 Fe2 N2 O5 S2 -","- C48 H60 Fe8 N8 O20 S8 -","4","0.5","","Xu, Fenfen; Tard, Cédric; Wang, Xiufeng; Ibrahim, Saad K; Hughes, David L; Zhong, Wei; Zeng, Xirui; Luo, Qiuyan; Liu, Xiaoming; Pickett, Christopher J","Controlling carbon monoxide binding at di-iron units related to the iron-only hydrogenase sub-site.","Chemical communications (Cambridge, England)","2008","","5","606","608","10.1039/b712805c","","","0.71073","Mo-Kα","","0.0287","0.0233","","","0.0558","0.0573","","","","","","1.074","","","","has coordinates","180130","2020-10-21","18:00:00",""
"7103020","21.052","0.005","7.216","0.0018","11.691","0.002","90","","90","","90","","1775.9","0.7","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H9 F3 I4 S -","- C9 H9 F3 I4 S -","- C36 H36 F12 I16 S4 -","4","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","","0.0321","0.0311","","","0.0653","0.0658","","","","","","1.278","","","","has coordinates,has disorder","180132","2020-10-21","18:00:00",""
"7103081","13.8054","0.0003","12.5572","0.0003","23.6942","0.0006","90","","90","","90","","4107.56","0.17","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C42 H50 Cl6 Sb -","- C42 H50 Cl6 Sb -","- C168 H200 Cl24 Sb4 -","4","0.5","","Banerjee, Moloy; Vyas, Vijay S; Lindeman, Sergey V; Rathore, Rajendra","Isolation and X-ray structural characterization of tetraisopropylpyrene cation radical.","Chemical communications (Cambridge, England)","2008","","16","1889","1891","10.1039/b800168e","","","1.54178","CuKα","","0.0272","0.0268","","","0.0659","0.0662","","","","","","1.014","","","","has coordinates,has disorder","180132","2020-10-21","18:00:00",""
"7103281","14.742","0.004","17.148","0.005","11.265","0.003","90","","90","","90","","2847.6","1.3","244","2","244","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H51 Co N2 P2 Si -","- C22 H51 Co N2 P2 Si -","- C88 H204 Co4 N8 P8 Si4 -","4","0.5","","Chomitz, Wayne A; Arnold, John","Reactivity of a Co(i) [N(2)P(2)] complex with azides: evidence for a transient Co(iii) imido species.","Chemical communications (Cambridge, England)","2008","","31","3648","3650","10.1039/b804754e","","","0.71073","MoKα","","0.1017","0.0528","","","0.1429","0.1668","","","","","","1.033","","","","has coordinates","180134","2020-10-21","18:00:00",""
"7103449","17.1812","0.0013","15.0408","0.0011","18.3332","0.0014","90","","90","","90","","4737.6","0.6","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C45 H76 Cl Ir O2 P2 Si -","- C45 H76 Cl Ir O2 P2 Si -","- C180 H304 Cl4 Ir4 O8 P8 Si4 -","4","0.5","","MacLean, Darren F; McDonald, Robert; Ferguson, Michael J; Caddell, Andrew J; Turculet, Laura","Room temperature benzene C-H activation by a new [PSiP]Ir pincer complex.","Chemical communications (Cambridge, England)","2008","","41","5146","5148","10.1039/b811811f","","","0.71073","MoKα","","0.0419","0.0278","","","0.0611","0.0663","","","","","","1.049","","","","has coordinates","180137","2020-10-21","18:00:00",""
"7103450","17.1413","0.0017","15.0516","0.0015","18.3511","0.0019","90","","90","","90","","4734.7","0.8","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C45 H76 Cl O2 P2 Rh Si -","- C45 H76 Cl O2 P2 Rh Si -","- C180 H304 Cl4 O8 P8 Rh4 Si4 -","4","0.5","","MacLean, Darren F; McDonald, Robert; Ferguson, Michael J; Caddell, Andrew J; Turculet, Laura","Room temperature benzene C-H activation by a new [PSiP]Ir pincer complex.","Chemical communications (Cambridge, England)","2008","","41","5146","5148","10.1039/b811811f","","","0.71073","MoKα","","0.034","0.0279","","","0.0717","0.0766","","","","","","1.093","","","","has coordinates","180137","2020-10-21","18:00:00",""
"7103488","14.142","0.0003","20.5933","0.0006","11.1905","0.0003","90","","90","","90","","3259.01","0.15","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C37 H46 Ge N2 -","- C37 H46 Ge N2 -","- C148 H184 Ge4 N8 -","4","0.5","","Yao, Shenglai; van Wüllen, Christoph; Driess, Matthias","Striking reactivity of ylide-like germylene toward terminal alkynes: [4+2] cycloaddition versus C-H bond activation.","Chemical communications (Cambridge, England)","2008","","42","5393","5395","10.1039/b811952j","","","0.71073","MoKα","","0.0588","0.0338","","","0.0731","0.0789","","","","","","0.918","","","","has coordinates","180137","2020-10-21","18:00:00",""
"7103614","11.7235","0.0002","28.411","0.0007","21.1529","0.0005","90","","90","","90","","7045.5","0.3","123.1","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C93 H61 Cl5 N4 Sn -","- C93 H61 Cl5 N4 Sn -","- C372 H244 Cl20 N16 Sn4 -","4","0.5","","Kojima, Takahiko; Hanabusa, Kakeru; Ohkubo, Kei; Shiro, Motoo; Fukuzumi, Shunichi","Formation of dodecaphenylporphodimethene via facile protonation of saddle-distorted dodecaphenylporphyrin.","Chemical communications (Cambridge, England)","2008","","48","6513","6515","10.1039/b816063e","","","0.71069","MoKα","","","0.0827","","","","0.2358","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103685","14.991","0.0003","13.405","0.0004","20.313","0.0005","90","","90","","90","","4081.99","0.18","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C20 H50 B Cl8 Cu6 F4 N9 -","- C20 H51 B Cl8 Cu6 F4 N9 -","- C80 H204 B4 Cl32 Cu24 F16 N36 -","4","0.5","","Köhn, Randolf D.; Pan, Zhida; Mahon, Mary F.; Kociok-Köhn, Gabriele","Trimethyltriazacyclohexane as bridging ligand for triangular Cu3 units and C‒H hydride abstraction into a Cu6 cluster","Chemical Communications (Cambridge, United Kingdom)","2003","","11","1272","1273","10.1039/b302670a","","","0.71073","MoKα","","0.0724","0.0485","","","0.1198","0.1339","","","","","","1.042","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7103709","13.6164","0.0006","9.9392","0.0004","10.3578","0.0004","90","","90","","90","","1401.78","0.1","200","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H18 Fe Se Si -","- C13 H18 Fe Se Si -","- C52 H72 Fe4 Se4 Si4 -","4","0.5","","Lebold, Terry P.; Stringle, Donald L. B.; Workentin, Mark S.; Corrigan, John F.","Functionalizing the surface of II‒VI clusters: redox active centres on the adamantoid complex [Cd~4~Cl~4~{μ-(SeC~5~H~4~)Fe(C~5~H~5~)}~6~]^2-^","Chemical Communications (Cambridge, United Kingdom)","2003","","12","1398","1399","10.1039/b302829a","","","0.71073","MoKα","","0.0676","0.0347","","","0.0663","0.0755","","","","","","0.972","","","","has coordinates","209772","2020-10-21","18:00:00",""
"7103816","24.961","0.002","28.608","0.003","12.617","0.004","90","","90","","90","","9009","2","153","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C75 H83 Cl4 Fe4 N13 O27 -","- C75 H72 Cl4 Fe4 N13 O27 -","- C300 H288 Cl16 Fe16 N52 O108 -","4","0.5","","Furutachi, Hideki; Murayama, Mizue; Shiohara, Amane; Yamazaki, Satoshi; Fujinami, Shuhei; Uehara, Akira; Suzuki, Masatatsu; Ogo, Seiji; Watanabe, Yoshihito; Maeda, Yonezo","Regioselective hydroxylation of the xylyl linker in a diiron(III) complex having a carboxylate-rich ligand with H2O2","Chemical Communications (Cambridge, United Kingdom)","2003","","15","1900","1901","10.1039/b304171a","","","0.7107","MoKα","","","0.0637","","","","0.1061","","","","","","1.906","","","","has coordinates","210665","2020-10-21","18:00:00",""
"7103830","17.466","0.003","22.546","0.007","12.156","0.007","90","","90","","90","","4787","3","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Tris-Nickel 3,7-dithianonane-1,9-dithiolate bis-copper hexaflurophosphate","Tris-Nickel 3,7-dithianonane-1,9-dithiolate bis-copper hexaflurophosphate","","- C17 H34 Cu2 F12 Ni3 P2 S12 -","- C17.975 H30.45 Cu2 F12 Ni3 P2 S12 -","- C71.9 H121.8 Cu8 F48 Ni12 P8 S48 -","4","0.5","","Amoroso, Angelo J.; Chung, Simon S. M.; Spencer, Douglas J. E.; Danks, Jonathan P.; Glenny, Mark W.; Blake, Alexander J.; Cooke, Paul A.; Wilson, Claire; Schröder, Martin","Pinwheel motifs: formation of unusual homo- and hetero-nuclear aggregates via bridging thiolates","Chemical Communications (Cambridge, United Kingdom)","2003","","16","2020","2021","10.1039/b303851c","","","0.71073","MoKα","","0.187","0.127","","","0.296","0.354","","","","","","1.2","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7104105","13.549","0.002","20.097","0.005","11.2263","0.0019","90","","90","","90","","3056.7","1","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H38 Fe Mo N2 O4 -","- C35 H38 Fe Mo N2 O4 -","- C140 H152 Fe4 Mo4 N8 O16 -","4","0.5","","Siemeling, Ulrich; Färber, Christian; Bruhn, Clemens","A stable crystalline N-heterocyclic carbene with a 1,1'-ferrocenediyl backbone.","Chemical communications (Cambridge, England)","2008","34","1","98","100","10.1039/b813809e","","","0.71073","MoKα","","0.2096","0.0679","","","0.1169","0.1526","","","","","","0.748","","","","has coordinates","180144","2020-10-21","18:00:00",""
"7104119","15.043","0.001","16.246","0.001","8.401","0.001","90","","90","","90","","2053.1","0.3","150","0.1","150","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H29 P Si2 -","- C19 H29 P Si2 -","- C76 H116 P4 Si8 -","4","0.5","","Blug, Matthias; Guibert, Clément; Le Goff, Xavier-Frederic; Mézailles, Nicolas; Le Floch, Pascal","1-phosphabarrelene complexes of palladium and their use in Suzuki-Miyaura coupling reactions.","Chemical communications (Cambridge, England)","2008","34","2","201","203","10.1039/b814886d","","","0.71069","MoKα","","0.0707","0.0415","","","0.1011","0.1174","","","","","","1.019","","","","has coordinates","180144","2020-10-21","18:00:00",""
"7104295","11.6446","0.0005","38.297","0.0017","3.8808","0.0002","90","","90","","90","","1730.66","0.14","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H12 O2 S3 -","- C22 H12 O2 S3 -","- C88 H48 O8 S12 -","4","0.5","","Chen, Ming-Chou; Chiang, Yen-Ju; Kim, Choongik; Guo, Yue-Jhih; Chen, Sheng-Yu; Liang, You-Jhih; Huang, Yu-Wen; Hu, Tarng-Shiang; Lee, Gene-Hsiang; Facchetti, Antonio; Marks, Tobin J","One-pot [1+1+1] synthesis of dithieno[2,3-b:3',2'-d]thiophene (DTT) and their functionalized derivatives for organic thin-film transistors.","Chemical communications (Cambridge, England)","2009","34","14","1846","1848","10.1039/b820621j","","","0.71073","MoKα","","0.0817","0.046","","","0.1052","0.1353","","","","","","1.098","","","","has coordinates","180145","2020-10-21","18:00:00",""
"7104557","12.7711","0.0002","19.619","0.0003","17.1168","0.0003","90","","90","","90","","4288.72","0.12","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C46 H26 N4 O10 Re2 -","- C46 H26 N4 O10 Re2 -","- C184 H104 N16 O40 Re8 -","4","0.5","","Sathiyendiran, Malaichamy; Wu, Jing-Yun; Velayudham, Murugesan; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh","Neutral metallacyclic rotors.","Chemical communications (Cambridge, England)","2009","34","25","3795","3797","10.1039/b901535c","","","0.71073","MoKα","","0.0896","0.0669","","","0.1338","0.1431","","","","","","1.159","","","","has coordinates,has disorder","180148","2020-10-21","18:00:00",""
"7104772","19.911","0.0018","23.1854","0.0003","4.0727","0.0014","90","","90","","90","","1880.1","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H18 N4 O6 -","- C20 H18 N4 O6 -","- C80 H72 N16 O24 -","4","0.5","","Maurizot, Victor; Massip, Stéphane; Léger, Jean-Michel; Déléris, Gérard","Cylindrical sheet formation of oligo-meta-aniline foldamers.","Chemical communications (Cambridge, England)","2009","34","38","5698","5700","10.1039/b909446f","","","1.5418","CuKα","","0.0675","0.0439","","","0.1105","0.1222","","","","","","1.054","","","","has coordinates","180150","2020-10-21","18:00:00",""
"7104910","19.352","0.004","15.755","0.003","8.3951","0.0017","90","","90","","90","","2559.5","0.9","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C28 H28 N4 O3 -","- C28 H28 N4 O3 -","- C112 H112 N16 O12 -","4","0.5","","Li, Honglin; Fan, Jiangli; Wang, Jingyun; Tian, Maozhong; Du, Jianjun; Sun, Shiguo; Sun, Pingping; Peng, Xiaojun","A fluorescent chemodosimeter specific for cysteine: effective discrimination of cysteine from homocysteine.","Chemical communications (Cambridge, England)","2009","","39","5904","5906","10.1039/b907511a","","","0.71073","MoKα","","0.0914","0.0534","","","0.1493","0.166","","","","","","1.082","","","","has coordinates","180153","2020-10-21","18:00:00",""
"7105020","15.033","0.003","20.805","0.004","11.395","0.002","90","","90","","90","","3564","1.2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C22 H26 B4 Co2 F12 N12 O4 -","- C22 H23 B4 Co2 F12.02 N13 O4 -","- C88 H92 B16 Co8 F48.08 N52 O16 -","4","0.5","","Szymczak, Nathaniel K; Berben, Louise A; Peters, Jonas C","Redox rich dicobalt macrocycles as templates for multi-electron transformations.","Chemical communications (Cambridge, England)","2009","","44","6729","6731","10.1039/b913946j","","","0.71073","MoKα","","0.0788","0.0504","","","0.1336","0.1557","","","","","","1.04","","","","has coordinates","180154","2020-10-21","18:00:00",""
"7105120","6.7812","0.0007","13.9258","0.0013","8.9932","0.0009","90","","90","","90","","849.26","0.15","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","(propane-1,2,3-triyl)trinitramide","(propane-1,2,3-triyl)trinitramide","","- C3 H8 N6 O6 -","- C3 H8 N6 O6 -","- C12 H32 N24 O24 -","4","0.5","","Joo, Young-Hyuk; Shreeve, Jean'ne M","Polynitramino compounds outperform PETN.","Chemical communications (Cambridge, England)","2009","46","1","142","144","10.1039/b916909a","","","0.71073","MoKα","","0.0394","0.0354","","","0.0945","0.0988","","","","","","1.069","","","","has coordinates","180155","2020-10-21","18:00:00",""
"7105369","15.7347","0.0009","9.7457","0.0003","10.8668","0.0006","90","","90","","90","","1666.38","0.14","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H29 Al N2 -","- C14 H29 Al N2 -","- C56 H116 Al4 N8 -","4","0.5","","Schmitt, Anne-Laure; Schnee, Gilles; Welter, Richard; Dagorne, Samuel","Unusual reactivity in organoaluminium and NHC chemistry: deprotonation of AlMe(3) by an NHC moiety involving the formation of a sterically bulky NHC-AlMe(3) Lewis adduct.","Chemical communications (Cambridge, England)","2010","46","14","2480","2482","10.1039/b922425d","","","0.71073","MoKα","","0.1001","0.0586","","","0.1379","0.1578","","","","","","1.029","","","","has coordinates,has disorder","180157","2020-10-21","18:00:00",""
"7105678","34.3624","0.0013","18.6807","0.0007","25.8757","0.0009","90","","90","","90","","16610","1.1","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C62 H51 Cu6 N O35 -","- C62 H41 Cu6 N O35 -","- C248 H164 Cu24 N4 O140 -","4","0.5","","Wenge Qiu; Jason Perman; Lukasz Wojtas; Mohamed Eddaoudi; Michael Zaworotko","Structural Diversity through Ligand Flexibility: Two Novel Metal-Organic Nets via Ligand-to-Ligand Cross-Linking of ""Paddlewheels""","Chem.Commun.","2010","46","","8734","","10.1039/c0cc03270k","","","1.54178","CuKα","","0.1447","0.0881","","","0.223","0.2456","","","","","","1.09","","","","has coordinates,has disorder","180160","2020-10-21","18:00:00",""
"7105841","19.622","0.004","17.836","0.003","10.009","0.002","90","","90","","90","","3502.9","1.2","150","2","150","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C66 F14 -","- C66 F14 -","- C264 F56 -","4","0.5","","Natalia Shustova; Igor V. Kuvychko; Dmitry Peryshkov; James Whitaker; Bryon Larson; Yu-Sheng Chen; Lothar Dunsch; Konrad Seppelt; Alexey Popov; Steven Strauss; Olga Boltalina","Chemical tailoring of fullerene acceptor materials: synthesis, structures and electrochemical properties of perfluoroisopropylfullerenes","Chem.Commun.","2011","47","","875","","10.1039/c0cc03247f","","","0.7749","synchrotron","","0.0534","0.0399","","","0.1091","0.115","","","","","","1.024","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7106034","19.8142","0.0012","6.9536","0.0004","19.0019","0.0012","90","","90","","90","","2618.1","0.3","296","1","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H12 O4 -","- C17 H12 O4 -","- C136 H96 O32 -","8","1","","Xiaopeng Chen; Hongbo Wang; Xiaohan Jin; Jinwu Feng; Yanguang Wang; Ping Lu","Palladium catalyzed bicyclization of 1,8-diiodonaphthalene and tertiary propargylic alcohols to phenalenones and their applications as fluorescent chemosensor for fluoride ions","Chem.Commun.","2011","47","","2628","","10.1039/c0cc04875e","","","0.71075","MoKα","","","0.0359","","","","0.0906","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106345","17.551","0.004","25.356","0.005","21.148","0.004","90","","90","","90","","9411","3","293","2","293","2","","","100","","","","","4","P n m a","-P 2ac 2n","62","Co3O(H2btb)2(H2O)","","","- C54 H30 Co3 O14 -","- C54 H30 Co3 O14 -","- C216 H120 Co12 O56 -","4","0.5","","Philipp Wollmann; Matthias Leistner; Ulrich Stoeck; Ronny Grunker; Kristina Gedrich; Nicole Klein; Oliver Throl; Wulf Grahlert; Irena Senkovska; Frieder Dreisbach; Stefan Kaskel","High-throughput discovery of porous materials","Chem.Commun.","2011","47","","5151","","10.1039/c1cc10674k","","","0.88561","","","0.0784","0.0758","","","0.2221","0.2266","","","","","","1.112","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106724","15.3491","0.0002","21.2977","0.0002","25.9883","0.0002","90","","90","","90","","8495.59","0.15","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- H30 K10 Mo17 O92 Te V8 -","- K10 Mo17 O90.6 Te V8 -","- K40 Mo68 O362.4 Te4 V32 -","4","0.5","","Leroy Cronin; Neus Corella Ochoa; Haralampos Miras; Alastair Kidd; De-Liang Long","Assembly of a family of mixed metal {Mo : V} polyoxometalates templated by TeO32-: {Mo12V12Te3}, {Mo12V12Te2} and {Mo17V8Te}","Chem.Commun.","2011","47","","8799","","10.1039/c1cc12782a","","","1.54184","CuKα","","0.084","0.0678","","","0.1907","0.2054","","","","","","1.069","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106745","6.7618","0.0002","24.1817","0.0007","13.4445","0.0004","90","","90","","90","","2198.33","0.11","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H22 Cl2 N4 O3 Pt -","- C22 H22 Cl2 N4 O3 Pt -","- C88 H88 Cl8 N16 O12 Pt4 -","4","0.5","","Kai Li; Xiangguo Guan; Chun-Wah Ma; Wei Lu; Yong Chen; Chi-Ming Che","Blue electrophosphorescent organoplatinum(II) complexes with dianionic tetradentate bis(carbene) ligands","Chem.Commun.","2011","47","","9075","","10.1039/c1cc12943k","","","1.54178","CuKα","","0.0517","0.0421","","","0.0939","0.0968","","","","","","1.191","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106746","19.5796","0.0018","38.647","0.004","15.6623","0.0016","90","","90","","90","","11852","2","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","S56","","","- C110 H157 Cl Fe2 Gd2 N8 O18 -","- C110 H150 Cl Fe2 Gd2 N8 O18 -","- C440 H600 Cl4 Fe8 Gd8 N32 O72 -","4","0.5","","Sergio Sanz; Kerry Ferreira; Ruaraidh McIntosh; Scott Dalgarno; Euan Brechin","Calixarene-supported FeIII2LnIII2 clusters","Chem.Commun.","2011","47","","9042","","10.1039/c1cc13055b","","","0.71073","MoKα","","0.098","0.0507","","","0.106","0.1194","","","","","","0.951","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106747","19.596","0.0009","38.5567","0.0017","15.7077","0.0007","90","","90","","90","","11868.1","0.9","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","S117","","","- C110 H157 Cl Fe2 N8 O18 Tb2 -","- C110 H150 Cl Fe2 N8 O18 Tb2 -","- C440 H600 Cl4 Fe8 N32 O72 Tb8 -","4","0.5","","Sergio Sanz; Kerry Ferreira; Ruaraidh McIntosh; Scott Dalgarno; Euan Brechin","Calixarene-supported FeIII2LnIII2 clusters","Chem.Commun.","2011","47","","9042","","10.1039/c1cc13055b","","","0.71073","MoKα","","0.0497","0.0414","","","0.1192","0.1233","","","","","","1.224","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106748","19.5864","0.0013","38.56","0.002","15.7383","0.001","90","","90","","90","","11886.4","1.3","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","S124","","","- C110 H157 Cl Dy2 Fe2 N8 O18 -","- C110 H150 Cl Dy2 Fe2 N8 O18 -","- C440 H600 Cl4 Dy8 Fe8 N32 O72 -","4","0.5","","Sergio Sanz; Kerry Ferreira; Ruaraidh McIntosh; Scott Dalgarno; Euan Brechin","Calixarene-supported FeIII2LnIII2 clusters","Chem.Commun.","2011","47","","9042","","10.1039/c1cc13055b","","","0.71073","MoKα","","0.0635","0.0507","","","0.1168","0.1218","","","","","","1.112","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106900","23.0185","0.0004","20.8028","0.0003","28.2909","0.0006","90","","90","","90","","13547.1","0.4","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C89 H87 Cu4 F21 N37 O21 S7 -","- C89 H78 Cu4 F21 N37 O21 S7 -","- C356 H312 Cu16 F84 N148 O84 S28 -","4","0.5","","Nathalie Parizel; Juan Ramirez; Christophe Burg; Sylvie Choua; Maxime Bernard; Serge Gambarelli; Vincent Maurel; Lydia Brelot; Jean-Marie Lehn; Philippe Turek; Adrian-Mihail Stadler","Modulation of self-assembly and magnetism of Cu(II) grids in solution","Chem.Commun.","2011","47","","10951","","10.1039/c0cc01612h","","","0.71073","MoKα","","0.1665","0.1047","","","0.294","0.3277","","","","","","1.035","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106901","7.1889","0.001","24.444","0.003","18.818","0.002","90","","90","","90","","3306.8","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cu-DCM","","","- C35 H23 Cu2 N4 O15 -","- C35 H17 Cu2 N4 O15 -","- C140 H68 Cu8 N16 O60 -","4","0.5","","Chandan Dey; Raja Das; Binoy Krishna Saha; Pankaj Poddar; Rahul Banerjee","Design and in situ synthesis of a Cu-based porous framework featuring isolated double chain magnetic character","Chem.Commun.","2011","47","","11008","","10.1039/c1cc13418c","","","0.71073","MoKα","","0.1346","0.0554","","","0.1026","0.1151","","","","","","0.843","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7107332","12.0275","0.0009","7.0253","0.0005","12.6877","0.001","90","","90","","90","","1072.07","0.14","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag Cl4 Ga P4 -","- Ag Cl4 Ga P4 -","- Ag4 Cl16 Ga4 P16 -","4","0.5","","Laura C. Forfar; Timothy J. Clark; Michael Green; Stephen M. Mansell; Christopher A. Russell; Rajashekharayya A. Sanguramath; John M. Slattery","White phosphorus as a ligand for the coinage metals","Chem.Commun.","2012","48","","1970","","10.1039/c2cc15291f","","","0.71073","MoKα","","0.0173","0.017","","","0.0468","0.047","","","","","","0.969","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107333","16.6593","0.0012","14.3369","0.001","6.0051","0.0004","90","","90","","90","","1434.27","0.17","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Au Cl4 Ga P8 -","- Au Cl4 Ga P8 -","- Au4 Cl16 Ga4 P32 -","4","0.5","","Laura C. Forfar; Timothy J. Clark; Michael Green; Stephen M. Mansell; Christopher A. Russell; Rajashekharayya A. Sanguramath; John M. Slattery","White phosphorus as a ligand for the coinage metals","Chem.Commun.","2012","48","","1970","","10.1039/c2cc15291f","","","0.71073","MoKα","","0.0201","0.0175","","","0.0485","0.0499","","","","","","1.171","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107341","16.6238","0.0005","9.1011","0.0005","9.5117","0.001","90","","90","","90","","1439.07","0.18","183","2","183","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H24 I N3 -","- C12 H24 I N3 -","- C48 H96 I4 N12 -","4","0.5","","Alfredo Medina-Molner; Bernhard Spingler","When two metal centres are needed instead of one: exclusive induction of Z-DNA by dinuclear metal complexes","Chem.Commun.","2012","48","","1961","","10.1039/c2cc16483c","","","0.71073","MoKα","","0.0495","0.0463","","","0.1262","0.134","","","","","","1.159","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107343","12.7425","0.0016","23.711","0.003","10.2862","0.0013","90","","90","","90","","3107.8","0.7","296","2","296","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C27 H32 Br Cl2 F6 O2 Ru2 Sb -","- C27 H32 Br Cl2 F6 O2 Ru2 Sb -","- C108 H128 Br4 Cl8 F24 O8 Ru8 Sb4 -","4","0.5","","Ravi Kiran Chinnagolla; Masilamani Jeganmohan","Regioselective synthesis of isocoumarins by ruthenium-catalyzed aerobic oxidative cyclization of aromatic acids with alkynes","Chem.Commun.","2012","48","","2030","","10.1039/c2cc16916a","","","0.71073","MoKα","","0.0701","0.0373","","","0.0994","0.1446","","","","","","0.571","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107483","15.23","0.005","17.385","0.005","8.388","0.003","90","","90","","90","","2220.9","1.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H29 Br2 N2 Ni -","- C21 H29 Br2 N2 Ni -","- C84 H116 Br8 N8 Ni4 -","4","0.5","","Haiyang Gao; Haibin Hu; Fangming Zhu; Qing Wu","Thermally Robust Amine-Imine Nickel Catalyst Precursor for Living Polymerization of Ethylene above Room Temperature","Chem.Commun.","2012","48","","3312","","10.1039/c2cc17154f","","","0.71073","MoKα","","0.0765","0.0408","","","0.0988","0.1113","","","","","","0.986","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107708","17.6742","0.0011","7.0921","0.0013","19.3659","0.0014","90","","90","","90","","2427.5","0.5","291","2","291","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H13 N3 O S2 -","- C11 H13 N3 O S2 -","- C88 H104 N24 O8 S16 -","8","1","","Yuncong Chen; Chrengcheng Zhu; Zhenghao Yang; Jing Li; Yang Jiao; Weijiang He; Junjie Chen; Zijian Guo","A new 'turn-on' chemodosimeter for Hg2+: ICT fluorophore formation via Hg2±induced carbaldehyde recovery from 1,3_dithiane","Chem.Commun.","2012","48","","5094","","10.1039/c2cc31217d","","","0.71073","MoKα","","0.0768","0.0581","","","0.1444","0.151","","","","","","1.046","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107784","12.866","0.002","14.546","0.003","17.544","0.003","90","","90","","90","","3283.3","1","90","2","90","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C36 H51 B N2 -","- C36 H51 B N2 -","- C144 H204 B4 N8 -","4","0.5","","Sarah Robinson; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Alkali-metal mediated reactivity of a diaminobromoborane: mono- and bis-borylation of naphthalene versus boryl lithium or hydroborane formation","Chem.Commun.","2012","48","","5769","","10.1039/c2cc31758c","","","0.71073","MoKα","","0.145","0.0842","","","0.214","0.257","","","","","","1.03","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7108382","19.3415","0.0005","12.5777","0.0004","8.9696","0.0002","90","","90","","90","","2182.05","0.1","120","","120","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13 H15 I3 N2 O5 S -","- C13 H8.01 I3 N2 O5 S -","- C52 H32.04 I12 N8 O20 S4 -","4","0.5","","Fucke, Katharina; Howard, Judith; Steed, Jonathan","Overcoming the solvation shell during the crystallisation of diatrizoic acid from dimethylsulfoxide","Chemical Communications (Cambridge, United Kingdom)","2012","48","99","12065","12067","10.1039/c2cc35995b","","x-ray","0.71073","MoKα","K-L~3~","0.0494","0.0423","","","0.1113","0.1176","","","","","","1.043","","","","has coordinates,has disorder","210824","2020-10-21","18:00:00",""
"7108507","14.565","0.005","20.273","0.007","16.053","0.006","90","","90","","90","","4740","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H50 Cl2 Cu4 Gd N7 O43 -","- C18 H38 Cl2 Cu4 Gd N7 O43 -","- C72 H152 Cl8 Cu16 Gd4 N28 O172 -","4","0.5","","Qilong Zhu; Shengchang Xiang; Tianlu Sheng; Daqiang Yuan; Chaojun Shen; Chunhong Tan; Shengmin Hu; Xintao Wu","A series of goblet-like heterometallic pentanuclear [LnIIICuII4] clusters featuring ferromagnetic coupling and single-molecule magnet behavior","Chem.Commun.","2012","48","","10736","","10.1039/c2cc35935a","","","0.71073","MoKα","","0.0529","0.0443","","","0.1126","0.1232","","","","","","1.18","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108508","14.564","0.005","20.278","0.006","16.024","0.005","90","","90","","90","","4732","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H50 Cl2 Cu4 N7 O43 Tb -","- C18 H38 Cl2 Cu4 N7 O43 Tb -","- C72 H152 Cl8 Cu16 N28 O172 Tb4 -","4","0.5","","Qilong Zhu; Shengchang Xiang; Tianlu Sheng; Daqiang Yuan; Chaojun Shen; Chunhong Tan; Shengmin Hu; Xintao Wu","A series of goblet-like heterometallic pentanuclear [LnIIICuII4] clusters featuring ferromagnetic coupling and single-molecule magnet behavior","Chem.Commun.","2012","48","","10736","","10.1039/c2cc35935a","","","0.71073","MoKα","","0.0453","0.0384","","","0.1032","0.112","","","","","","1.172","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108509","14.5762","0.0004","20.2376","0.0006","15.9957","0.0005","90","","90","","90","","4718.5","0.2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H50 Cl2 Cu4 N7 O43 Sm -","- C18 H38 Cl2 Cu4 N7 O43 Sm -","- C72 H152 Cl8 Cu16 N28 O172 Sm4 -","4","0.5","","Qilong Zhu; Shengchang Xiang; Tianlu Sheng; Daqiang Yuan; Chaojun Shen; Chunhong Tan; Shengmin Hu; Xintao Wu","A series of goblet-like heterometallic pentanuclear [LnIIICuII4] clusters featuring ferromagnetic coupling and single-molecule magnet behavior","Chem.Commun.","2012","48","","10736","","10.1039/c2cc35935a","","","0.71073","MoKα","","0.0348","0.0338","","","0.0991","0.0999","","","","","","1.084","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108510","14.5743","0.0004","20.2763","0.0006","16.0214","0.0005","90","","90","","90","","4734.5","0.2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H50 Cl2 Cu4 Eu N7 O43 -","- C18 H38 Cl2 Cu4 Eu N7 O43 -","- C72 H152 Cl8 Cu16 Eu4 N28 O172 -","4","0.5","","Qilong Zhu; Shengchang Xiang; Tianlu Sheng; Daqiang Yuan; Chaojun Shen; Chunhong Tan; Shengmin Hu; Xintao Wu","A series of goblet-like heterometallic pentanuclear [LnIIICuII4] clusters featuring ferromagnetic coupling and single-molecule magnet behavior","Chem.Commun.","2012","48","","10736","","10.1039/c2cc35935a","","","0.71073","MoKα","","0.0329","0.0322","","","0.0854","0.086","","","","","","1.105","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108742","16.4782","0.0003","6.8106","0.0001","7.6385","0.0002","90","","90","","90","","857.24","0.03","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Copper(ii) difluoride dihydrate 3-chloropyridine","","","- C5 H8 Cl Cu F2 N O2 -","- C5 H8 Cl Cu F2 N O2 -","- C20 H32 Cl4 Cu4 F8 N4 O8 -","4","0.5","","Saul H. Lapidus; Jamie L. Manson; Hyunsoo Park; Alexander J. Clement; Saman Ghannadzadeh; Paul Goddard; Tom Lancaster; Johannes S. Moller; Stephen J. Blundell; Mark T. F. Telling; Jinhee Kang; Myung-Hwan Whangbo; John A. Schlueter","Antiferromagnetic ordering through a hydrogen-bonded network in the molecular solid CuF2(H2O)2(3-chloropyridine)","Chem.Commun.","2013","49","","499","","10.1039/c2cc37444g","","x-ray","0.71073","MoKα","","0.0212","0.0205","","","0.0543","0.055","","","","","","1.15","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108743","16.5192","0.0003","6.8693","0.0001","7.6288","0.0001","90","","90","","90","","865.68","0.02","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Copper(ii) difluoride dihydrate 3-chloropyridine","","","- C5 H8 Cl Cu F2 N O2 -","- C5 H8 Cl Cu F2 N O2 -","- C20 H32 Cl4 Cu4 F8 N4 O8 -","4","0.5","","Saul H. Lapidus; Jamie L. Manson; Hyunsoo Park; Alexander J. Clement; Saman Ghannadzadeh; Paul Goddard; Tom Lancaster; Johannes S. Moller; Stephen J. Blundell; Mark T. F. Telling; Jinhee Kang; Myung-Hwan Whangbo; John A. Schlueter","Antiferromagnetic ordering through a hydrogen-bonded network in the molecular solid CuF2(H2O)2(3-chloropyridine)","Chem.Commun.","2013","49","","499","","10.1039/c2cc37444g","","x-ray","0.71073","MoKα","","0.0304","0.0292","","","0.077","0.0779","","","","","","1.155","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108800","18.2455","0.0003","15.6917","0.0002","8.0286","0.0001","90","","90","","90","","2298.61","0.06","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H20 F6 N7 O2 P -","- C22 H20 F6 N7 O2 P -","- C88 H80 F24 N28 O8 P4 -","4","0.5","","Chao Gao; Hongjun Zhou; Siping Wei; Yinsong Zhao; Jingsong You; Ge Gao","Novel bisimidazolium pincers as low loading ligands for in situ palladium-catalyzed Suzuki-Miyaura reaction in the ambient atmosphere","Chemical communications (Cambridge, England)","2013","49","11","1127","1129","10.1039/c2cc36375e","","x-ray","0.71073","MoKα","","0.0415","0.0312","","","0.0861","0.0882","","","","","","1.17","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108886","16.937","0.006","20.574","0.006","10.082","0.004","90","","90","","90","","3513","2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C38 H45 F6 N3 Si -","- C38 H45 F6 N3 Si -","- C152 H180 F24 N12 Si4 -","4","0.5","","Ramachandran Azhakar; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke","Metal free and selective activation of one C-F bond in a bound CF3 group","Chemical communications (Cambridge, England)","2013","49","18","1841","1843","10.1039/c3cc38669d","","","0.71073","MoKα","","0.0548","0.0388","","","0.0902","0.0971","","","","","","1.055","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7109552","7.604","0.003","7.312","0.003","18.317","0.007","90","","90","","90","","1018.4","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H8 Co N4 O5 -","- C8 H8 Co N4 O5 -","- C32 H32 Co4 N16 O20 -","4","0.5","","Yan-Qin Wang; Ai-Ling Cheng; Pei-Pei Liu; En-Qing Gao","Unusual composition dependence of magnetic relaxation for CoII1-xNiIIx chain-based metal-organic frameworks","Chem.Commun.","2013","49","","6995","","10.1039/c3cc43212b","","","0.71073","MoKα","","0.0921","0.0551","","","0.1509","0.175","","","","","","0.956","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109553","7.6031","0.0006","7.2312","0.0006","18.195","0.002","90","","90","","90","","1000.35","0.16","295","","295","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H8 N4 Ni O5 -","- C8 H8 N4 Ni O5 -","- C32 H32 N16 Ni4 O20 -","4","0.5","","Yan-Qin Wang; Ai-Ling Cheng; Pei-Pei Liu; En-Qing Gao","Unusual composition dependence of magnetic relaxation for CoII1-xNiIIx chain-based metal-organic frameworks","Chem.Commun.","2013","49","","6995","","10.1039/c3cc43212b","powder diffraction","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109805","18.9212","0.0003","21.265","0.0003","13.7069","0.0002","90","","90","","90","","5515.1","0.14","103","2","103","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C61 H40 B2 Cl9 F4 N3 -","- C61 H40 B2 Cl9 F4 N3 -","- C244 H160 B8 Cl36 F16 N12 -","4","0.5","","Daiki Kuzuhara; ZhaoLi Xue; Shigeki Mori; Tetsuo Okujima; Hidemitsu Uno; Naoki Aratani; Hiroko Yamada","Synthesis and properties of boron complexes of [14]triphyrins(2.1.1)","Chem.Commun.","2013","49","","8955","","10.1039/c3cc44788j","","","0.71075","MoKα","","0.0737","0.0561","","","0.1422","0.154","","","","","","1.06","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7110165","16.4659","0.0012","15.6201","0.0013","24.952","0.002","90","","90","","90","","6417.6","0.9","173","2","173","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C43 H80 Cl4 Cu3 F9 N4 O9 P4 S3 -","- C43 H80 Cl4 Cu3 F9 N4 O9 P4 S3 -","- C172 H320 Cl16 Cu12 F36 N16 O36 P16 S12 -","4","0.5","","Pengfei Ai; Andreas A. Danopoulos; Pierre Braunstein; Kirill Yu. Monakhovc","A novel, rigid diphosphine with an active NHC spacer; di- and trinuclear complexes of d10 coinage metals","Chem.Commun.","2013","50","","103","","10.1039/c3cc47370h","","","0.71073","MoKα","","0.1819","0.0741","","","0.1619","0.216","","","","","","1.022","","","","has coordinates,has disorder","180215","2020-10-21","18:00:00",""
"7110166","16.5334","0.0006","15.6264","0.0005","25.5667","0.0007","90","","90","","90","","6605.3","0.4","173","2","173","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C43 H80 Ag3 Cl4 F9 N4 O9 P4 S3 -","- C43 H80 Ag3 Cl4 F9 N4 O9 P4 S3 -","- C172 H320 Ag12 Cl16 F36 N16 O36 P16 S12 -","4","0.5","","Pengfei Ai; Andreas A. Danopoulos; Pierre Braunstein; Kirill Yu. Monakhovc","A novel, rigid diphosphine with an active NHC spacer; di- and trinuclear complexes of d10 coinage metals","Chem.Commun.","2013","50","","103","","10.1039/c3cc47370h","","","0.71073","MoKα","","0.0973","0.0454","","","0.0904","0.1137","","","","","","1.048","","","","has coordinates,has disorder","180215","2020-10-21","18:00:00",""
"7110270","18.34","0.007","22.335","0.008","8.218","0.003","90","","90","","90","","3366","2","113","2","113","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C48 H40 -","- C48 H40 -","- C192 H160 -","4","0.5","","Friederike Sibbel; Katsuma Matsui; Yasutomo Segawa; Armido Studer; Kenichiro Itami","Selective synthesis of [7]- and [8]cycloparaphenylenes","Chem.Commun.","2014","50","","954","","10.1039/c3cc48683d","","","0.71075","MoKα","","0.0682","0.0648","","","0.1742","0.1772","","","","","","1.078","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110469","13.132","0.003","32.368","0.006","17.233","0.003","90","","90","","90","","7325","3","293","2","218","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C50 H121 Ga3 P4 Si9 -","- C50 H121 Ga3 P4 Si9 -","- C200 H484 Ga12 P16 Si36 -","4","0.5","","Uhl, Werner; Benter, Maike","The insertion of alkylgallium(I) groups [Ga‒C(SiMe3)3] into P‒P bonds of P4: formation of a P4(GaR)3 cage","Chemical Communications","1999","","9","771","","10.1039/a900670b","","","0.71073","MoKα","","0.0917","0.0587","","","0.15","0.1654","","","","","","1.035","","","","has coordinates,has disorder","180218","2020-10-21","18:00:00",""
"7110478","10.1777","0.0006","14.7904","0.0008","13.6189","0.0008","90","","90","","90","","2050.1","0.2","223","2","223","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H35 Si Ta -","- C22 H35 Si Ta -","- C88 H140 Si4 Ta4 -","4","0.5","","Shin, Jun Ho; Parkin, Gerard","The ansa-effect in permethyltantalocene chemistry: a [Me2Si] ansa bridge promotes olefin-insertion and reductive-elimination reactions for [Me2Si(C5Me4)2]Ta(η2-C2H4)H and [Me2Si(C5Me4)2]TaH3","Chemical Communications","1999","","10","887","","10.1039/a900895k","","","0.71073","MoKα","","0.0334","0.0285","","","0.0634","0.065","","","","","","1.193","","","","has coordinates,has disorder","180218","2020-10-21","18:00:00",""
"7110552","17.491","0.003","12.133","0.002","7.347","0.002","90","","90","","90","","1559.2","0.6","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H20 O2 P2 -","- C16 H20 O2 P2 -","- C64 H80 O8 P8 -","4","0.5","","Gee, Victoria; Guy Orpen, A.; Phetmung, Hirihattaya; Pringle, Paul G.; Pugh, Robert I.","Bis(phospha-adamantyl)alkanes: a new class of very bulky diphosphines","Chemical Communications","1999","","10","901","","10.1039/a902434d","","","0.71073","MoKα","","0.0649","0.0466","","0.1008","0.0906","","","","1.083","1.101","1.101","","","","","has coordinates","180219","2020-10-21","18:00:00",""
"7110933","17.5459","0.0017","29.323","0.003","9.1556","0.0007","90","","90","","90","","4710.5","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl26.51 Cs1.78 Nb12 O8.14 Ti3 -","- Cl26.513 Cs1.785 Nb12 O8.139 Ti3 -","- Cl106.052 Cs7.14 Nb48 O32.556 Ti12 -","4","0.5","","Anokhina, Ekaterina V.; Day, Cynthia S.; Lachgar, Abdessadek","A new layered niobium oxochloride cluster compound with novel framework topology","Chemical Communications","2000","","16","1491","","10.1039/b002147o","","","0.71073","MoKα","","0.1011","0.0544","","","0.1059","0.1173","","","","","","1.027","","","","has coordinates","180223","2020-10-21","18:00:00",""
"7111140","17.3386","0.0007","13.7599","0.0005","9.461","0.0004","90","","90","","90","","2257.18","0.16","180","2","180","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H29 O4 P3 W -","- C16 H29 O4 P3 W -","- C64 H116 O16 P12 W4 -","4","0.5","","Armstrong, David R.; Feeder, Neil; Hopkins, Alexander D.; Mays, Martin J.; Wood, Jody A.; Woods, Anthony D.; Wright, Dominic S.; Moncrieff, David","Electrophilic ring-opening of [(RP)nAs]− anions; a simple route to functionalised neutral phosphines of the type [(ButP)(ButRP)2]","Chemical Communications","2000","","24","2483","","10.1039/b007553l","","","0.71069","MoKα","","0.0436","0.0267","","0.0664","0.0616","","","","1.076","1.108","1.108","","","","","has coordinates","180225","2020-10-21","18:00:00",""
"7111249","25.078","0.002","11.7341","0.0007","16.4872","0.0009","90","","90","","90","","4851.7","0.6","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","00120","","","- C58 H62 K Nb O7 -","- C58 H62 K Nb O7 -","- C232 H248 K4 Nb4 O28 -","4","0.5","","Brennessel, William W.; Ellis, John E.; Roush, Sergey N.; Strandberg, Brian R.; Woisetschläger, Oliver E.; Young, Victor G.","Tris(1-4-η4-anthracene)niobate(1‒), the first polyaromatic hydrocarbon complex of niobium","Chemical Communications","2002","","20","2356","","10.1039/b207062f","","","0.71073","MoKα","","0.0573","0.0342","","","0.0763","0.084","","","","","","0.984","","","","has coordinates,has disorder","180226","2020-10-21","18:00:00",""
"7111321","16.033","0.008","9.904","0.008","10.58","0.01","90","","90","","90","","1680","2","223.2","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H31 B N2 -","- C15 H31 B N2 -","- C60 H124 B4 N8 -","4","0.5","","Yamaguchi, Yoshitaka; Kashiwabara, Taigo; Ogata, Kenichi; Miura, Yumiko; Nakamura, Yoshiyuki; Kobayashi, Kimiko; Ito, Takashi","Synthesis and reactivity of triethylborane adduct of N-heterocyclic carbene: versatile synthons for synthesis of N-heterocyclic carbene complexes","Chemical Communications","2004","","19","2160","2161","10.1039/b405459h","","","0.7107","MoKα","","","0.0823","","","","0.2122","","","","","","1.653","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111451","12.4552","0.0003","17.2336","0.0006","7.7943","0.0002","90","","90","","90","","1673.03","0.08","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H21 I2 Mo N2 -","- C13 H21 I2 Mo N2 -","- C52 H84 I8 Mo4 N8 -","4","0.5","","Stoffelbach, Fran�ois; Poli, Rinaldo","Al(OPri)3-catalysed halogen exchange processes of relevance to atom transfer radical polymerization: the effect depends on the metal electronic structure","Chemical Communications","2004","","23","2666","2667","10.1039/b409992c","","","0.71073","MoKα","","0.0344","0.0247","","","0.0456","0.0478","","","","","","1.09","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111540","6.9134","0.0005","19.5698","0.0014","10.8775","0.0008","90","","90","","90","","1471.66","0.18","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H6 S5 -","- C18 H6 S5 -","- C72 H24 S20 -","4","0.5","","Wei, Junfa; Jia, Xiaowei; Yu, Jun; Shi, Xianying; Zhang, Congjie; Chen, Zhanguo","Synthesis of 1,4,5,8,9,12-hexabromododecahydrotriphenylene and its application in constructing polycyclic thioaromatics","Chemical Communications","2009","","31","4714","4716","10.1039/b904477a","","","0.71073","MoKα","","0.0453","0.0417","","","0.1198","0.1236","","","","","","1.001","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7111666","14.218","0.003","6.7301","0.0013","12.211","0.002","90","","90","","90","","1168.5","0.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H8 B Cl3 N2 -","- C10 H8 B Cl3 N2 -","- C40 H32 B4 Cl12 N8 -","4","0.5","","Mansell, Stephen M.; Adams, Christopher J.; Bramham, George; Haddow, Mairi F.; Kaim, Wolfgang; Norman, Nicholas C.; McGrady, John E.; Russell, Christopher A.; Udeen, Sally J.","Synthesis and characterisation of the persistent radical [BCl2(bipy)]˙","Chemical Communications","2010","46","28","5070","5072","10.1039/c0cc00187b","","","0.71073","MoKα","","0.0253","0.024","","","0.0704","0.0775","","","","","","1.032","","","","has coordinates","180230","2020-10-21","18:00:00",""
"7111775","10.19","0.004","12.552","0.004","8.82","0.003","90","","90","","90","","1128.1","0.7","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H9 Cl O8 -","- C10 H9 Cl O8 -","- C40 H36 Cl4 O32 -","4","0.5","","Waynant, Kristopher V.; White, James D.; Zakharov, Lev","Synthesis and structural characterization of a fused bispyrone and preparation of the first metal bispyrylium complexes","Chemical Communications","2010","46","29","5304","5306","10.1039/c0cc01291b","","","0.71073","MoKα","","0.0411","0.0363","","","0.0974","0.1022","","","","","","1.086","","","","has coordinates","180231","2020-10-21","18:00:00",""
"7112215","15.613","0.003","16.742","0.003","21.236","0.004","90","","90","","90","","5550.9","1.8","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C92 H20 S8 -","- C92 H20 S8 -","- C368 H80 S32 -","4","0.5","","Zhongmin Zhou; Yunke Qin; Wei Xu; Daoben Zhu","Supramolecular association behavior of a strong C60 receptor with conjugated pentacene and tetrathiafulvalene moieties in solution and in the solid state","Chem.Commun.","2014","50","","4082","","10.1039/C4CC00741G","","","0.71073","MoKα","","0.0981","0.0953","","","0.2419","0.2442","","","","","","1.143","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112628","6.0634","0.0007","72.208","0.008","7.6952","0.0009","90","","90","","90","","3369.2","0.7","296","","296","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C40 H40 O -","- C40 H52 O -","- C160 H208 O4 -","4","0.5","","Katsumasa Nakahara; Chikahiko Mitsui; Toshihiro Okamoto; Masakazu Yamagishi; Hiroyuki Matsui; Takanari Ueno; Yuji Tanaka; Masafumi Yano; Takeshi Matsushita; Junshi Soeda; Yuri Hirose; Hiroyasu Sato; Akihito Yamanof; Jun Takeya","Furan fused V-shaped organic semiconducting materials with high emission and high mobility","Chem.Commun.","2014","50","","5342","","10.1039/C3CC47577H","","","1.0106","SrKα","","","0.0984","","","","0.3247","","","","","","0.887","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112629","5.9067","0.0003","72.191","0.004","7.3415","0.0004","90","","90","","90","","3130.5","0.3","296","","296","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C40 H13 O -","- C40 H52 O -","- C160 H208 O4 -","4","0.5","","Katsumasa Nakahara; Chikahiko Mitsui; Toshihiro Okamoto; Masakazu Yamagishi; Hiroyuki Matsui; Takanari Ueno; Yuji Tanaka; Masafumi Yano; Takeshi Matsushita; Junshi Soeda; Yuri Hirose; Hiroyasu Sato; Akihito Yamanof; Jun Takeya","Furan fused V-shaped organic semiconducting materials with high emission and high mobility","Chem.Commun.","2014","50","","5342","","10.1039/C3CC47577H","","","1.54187","CuKα","","","0.1552","","","","0.3751","","","","","","1.044","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112656","11.0824","0.0001","13.7811","0.0002","8.6341","0.0002","90","","90","","90","","1318.67","0.04","90","0.2","90","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H17 N S -","- C16 H17 N S -","- C64 H68 N4 S4 -","4","0.5","","Selin Ergun; Corrine F. Elliott; Aman Preet Kaur; Sean R. Parkin; Susan A. Odom","Overcharge performance of 3,7-disubstituted N-ethylphenothiazine derivatives in lithium-ion batteries","Chem.Commun.","2014","50","","5339","","10.1039/C3CC47503D","","","0.71073","MoKα","","0.0456","0.0382","","","0.1056","0.1106","","","","","","1.069","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112657","7.4009","0.0001","18.5613","0.0003","9.8967","0.0002","90","","90","","90","","1359.51","0.04","90","0.2","90","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H11 N3 S -","- C16 H11 N3 S -","- C64 H44 N12 S4 -","4","0.5","","Selin Ergun; Corrine F. Elliott; Aman Preet Kaur; Sean R. Parkin; Susan A. Odom","Overcharge performance of 3,7-disubstituted N-ethylphenothiazine derivatives in lithium-ion batteries","Chem.Commun.","2014","50","","5339","","10.1039/C3CC47503D","","","1.54178","CuKα","","0.0318","0.031","","","0.0886","0.0898","","","","","","1.105","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112821","19.742","0.004","16.997","0.003","10.3318","0.0019","90","","90","","90","","3466.9","1.1","93","2","93","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C33 H52 Au B F4 N3 -","- C33 H36 Au B F4 N3 -","- C132 H144 Au4 B4 F16 N12 -","4","0.5","","Nun, Pierrick; Gaillard, Sylvain; Slawin, Alexandra M. Z.; Nolan, Steven P.","Ligand influence in the selective gold-mediated synthesis of allenes.","Chemical communications (Cambridge, England)","2010","46","48","9113","9115","10.1039/c0cc03071f","","","0.71073","MoKα","","0.0474","0.0427","","","0.1092","0.1111","","","","","","1.258","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7112883","7.1114","0.0003","8.1724","0.0003","16.9065","0.0007","90","","90","","90","","982.56","0.07","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H8 Br K N2 O5 -","- C4 H8 Br K N2 O5 -","- C16 H32 Br4 K4 N8 O20 -","4","0.5","","Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Prosperi, Susanna; Gobetto, Roberto; Chierotti, Michele R.","From unexpected reactions to a new family of ionic co-crystals: the case of barbituric acid with alkali bromides and caesium iodide.","Chemical communications (Cambridge, England)","2010","46","41","7715","7717","10.1039/c0cc02701d","","","0.71073","MoKα","","0.0388","0.0247","","","0.049","0.0505","","","","","","0.91","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7112884","7.1308","0.0003","7.8805","0.0003","16.0515","0.0006","90","","90","","90","","902","0.06","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H8 Br N2 Na O5 -","- C4 H8 Br N2 Na O5 -","- C16 H32 Br4 N8 Na4 O20 -","4","0.5","","Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Prosperi, Susanna; Gobetto, Roberto; Chierotti, Michele R.","From unexpected reactions to a new family of ionic co-crystals: the case of barbituric acid with alkali bromides and caesium iodide.","Chemical communications (Cambridge, England)","2010","46","41","7715","7717","10.1039/c0cc02701d","","","0.71073","MoKα","","0.0483","0.0328","","","0.0691","0.0715","","","","","","0.924","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7112886","7.223","0.002","8.327","0.001","17.384","0.003","90","","90","","90","","1045.6","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H8 Br N2 O5 Rb -","- C4 H8 Br N2 O5 Rb -","- C16 H32 Br4 N8 O20 Rb4 -","4","0.5","","Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Prosperi, Susanna; Gobetto, Roberto; Chierotti, Michele R.","From unexpected reactions to a new family of ionic co-crystals: the case of barbituric acid with alkali bromides and caesium iodide.","Chemical communications (Cambridge, England)","2010","46","41","7715","7717","10.1039/c0cc02701d","","","0.71073","MoKα","","0.0545","0.0331","","","0.0693","0.0719","","","","","","0.892","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7112958","15.6986","0.0005","21.4976","0.0003","25.9861","0.0003","90","","90","","90","","8769.8","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- H68 Mo17 N10 O91 S V8 -","- Mo17 N10 O92.1 S V8 -","- Mo68 N40 O368.4 S4 V32 -","4","0.5","","Miras, Haralampos N.; Ochoa, M. Nieves Corella; Long, De-Liang; Cronin, Leroy","Controlling transformations in the assembly of polyoxometalate clusters: {Mo11V7}, {Mo17V8} and {Mo72V30}.","Chemical communications (Cambridge, England)","2010","46","43","8148","8150","10.1039/c0cc02849e","","","0.71073","MoKα","","0.0907","0.0544","","","0.1414","0.1518","","","","","","1.036","","","","has coordinates","180243","2020-10-21","18:00:00",""
"7112966","18.0985","0.0017","8.0587","0.0007","9.1236","0.0008","90","","90","","90","","1330.7","0.2","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H19 I O -","- C13 H19 I O -","- C52 H76 I4 O4 -","4","0.5","","Chen, Xue-Yi; Barnes, Charles; Bai, Xinyan; Sandreczki, T. C.; Peng, Zhonghua; Kadnikova, Ekaterina N.; Dias, J. R.","Synthesis and structural analysis of a novel iodinated cyclopentadienone via ring-contraction iodination and its application in synthesis of alkyne-functionalized cyclopentadienones.","Chemical communications (Cambridge, England)","2010","46","43","8171","8173","10.1039/c0cc02543g","","","0.71073","MoKα","","0.0156","0.0151","","","0.0378","0.0381","","","","","","1.067","","","","has coordinates","180243","2020-10-21","18:00:00",""
"7113052","27.7357","0.0015","20.3898","0.0013","16.5894","0.0011","90","","90","","90","","9381.7","1","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","tricarbene","","","- C107 H134 N6 -","- C59 H86 N6 -","- C236 H344 N24 -","4","0.5","","Williams, Kyle A.; Bielawski, Christopher W.","Cerberus-type N-heterocyclic carbenes: synthesis and study of the first tritopic carbenes with D(3h)-symmetry.","Chemical communications (Cambridge, England)","2010","46","28","5166","5168","10.1039/c0cc01070g","","","0.71075","MoKα","","0.1577","0.1398","","","0.3217","0.3314","","","","","","1.962","","","","has coordinates,has disorder","180244","2020-10-21","18:00:00",""
"7113053","23.074","0.003","19.486","0.002","14.463","0.002","90","","90","","90","","6502.9","1.4","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Triscarbene-thiourea","","","- C71 H98 N6 S3 -","- C74 H100 N6 S3 -","- C296 H400 N24 S12 -","4","0.5","","Williams, Kyle A.; Bielawski, Christopher W.","Cerberus-type N-heterocyclic carbenes: synthesis and study of the first tritopic carbenes with D(3h)-symmetry.","Chemical communications (Cambridge, England)","2010","46","28","5166","5168","10.1039/c0cc01070g","","","0.71069","MoKα","","0.2224","0.1391","","","0.273","0.3295","","","","","","1.162","","","","has coordinates,has disorder","180244","2020-10-21","18:00:00",""
"7113357","12.2677","0.0008","23.102","0.002","19.3996","0.0013","90","","90","","90","","5498","0.7","293.1","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C52 H65 Cl4 Ir O4 S4 -","- C104 H130 Cl8 Ir2 O8 S8 -","- C416 H520 Cl32 Ir8 O32 S32 -","4","0.5","","Hirata, Kenji; Suzuki, Toshiaki; Noya, Ai; Takei, Izuru; Hidai, Masanobu","Syntheses and structures of mono-, di- and tetranuclear rhodium or iridium complexes of thiacalix[4]arene derivatives.","Chemical communications (Cambridge, England)","2005","","29","3718","3720","10.1039/b502999f","","","0.7107","MoKα","","","0.073","","","","0.179","","","","","","1.137","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7113383","22.7801","0.0004","14.7272","0.0003","9.7007","0.0002","90","","90","","90","","3254.46","0.11","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H57 Mg N4 Na -","- C30 H57 Mg N4 Na -","- C120 H228 Mg4 N16 Na4 -","4","0.5","","Hevia, Eva; Gallagher, Daniel J.; Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T; Talmard, Christine","Isolation and characterisation of the mixed-metal alkyl amide [(TMEDA)Na(mu-Bu)(mu-TMP)Mg(TMP)], an unexpected chelate-trapped intermediate in the formation of inverse crowns.","Chemical communications (Cambridge, England)","2004","","21","2422","2423","10.1039/b410293b","","","0.71073","MoKα","","0.0778","0.0467","","","0.1102","0.1244","","","","","","1.028","","","","has coordinates,has disorder","180247","2020-10-21","18:00:00",""
"7113471","9.1586","0.0016","7.799","0.0014","16.794","0.003","90","","90","","90","","1199.6","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","0.5","","Zhang, Lin-Ping; Lu, Wen-Jie; Mak, Thomas C. W.","Controlled crystallization of mixed-ligand complexes of 1,3-bis(4-pyridyl)propane-N,N'-dioxide with metal(ii) thiocyanates: isostructurality in coordination networks bearing different mono- and di-nuclear nodes","Chemical Communications","2003","","22","2830","2831","10.1039/b307604k","","","0.71073","MoKα","","0.0585","0.044","","","0.1298","0.1434","","","","","","1.041","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113667","12.162","0.005","17.397","0.005","7.375","0.005","90","0.005","90","0.005","90","0.005","1560.4","1.3","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C10 H11 N -","- C10 H11 N -","- C80 H88 N8 -","8","1","","Filipponi, Silvia; Jones, Jamie N.; Johnson, Jennifer A.; Cowley, Alan H.; Grepioni, Fabrizia; Braga, Dario","Isolation of C?H?C(?) complexes from the reaction of stable carbenes with hydrocarbons","Chemical Communications","2003","","21","2716","","10.1039/b309168f","","","0.71069","MoKα","","0.0725","0.0456","","","0.0985","0.1091","","","","","","1.031","","","","has coordinates","180250","2020-10-21","18:00:00",""
"7114327","17.4105","0.0004","13.2514","0.0003","8.6175","0.0002","90","","90","","90","","1988.17","0.08","150","0.2","150","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H32 N Nb Si2 -","- C18 H32 N Nb Si2 -","- C72 H128 N4 Nb4 Si8 -","4","0.5","","Nikonov, Georgii I.; Vyboishchikov, Sergei F.; Kuzmina, Lyudmila G.; Howard, Judith A. K.","Serendipitous syntheses and structures of [Cp2Nb(H){(SiMe2)2(µ-NR)}]","Chemical Communications","2002","","6","568","569","10.1039/b111636c","","","0.71073","MoKα","","0.0545","0.05","","0.117","0.1122","","","","1.228","1.246","1.246","","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7114399","8.476","0.002","7.7715","0.0019","12.519","0.003","90","","90","","90","","824.6","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","copper tricyanofluoroborate","","","- C5 H3 B Cu F N4 -","- C5 H3 B Cu F N4 -","- C20 H12 B4 Cu4 F4 N16 -","4","0.5","","Hamilton, Barton H.; Ziegler, Christopher J.","The structures of Cu(i) and Ag(i) coordination polymers using the tricyanofluoroborate anion","Chemical Communications","2002","","8","842","","10.1039/b201442d","","","0.71073","MoKα","","0.043","0.0257","","","0.0447","0.0458","","","","","","1","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7114400","8.7909","0.0018","8.1413","0.0016","12.743","0.003","90","","90","","90","","912","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","silver tricyanofluoroborate","","","- C5 H3 Ag B F N4 -","- C5 H3 Ag B F N4 -","- C20 H12 Ag4 B4 F4 N16 -","4","0.5","","Hamilton, Barton H.; Ziegler, Christopher J.","The structures of Cu(i) and Ag(i) coordination polymers using the tricyanofluoroborate anion","Chemical Communications","2002","","8","842","","10.1039/b201442d","","","0.71073","MoKα","","0.0346","0.0247","","","0.05","0.0531","","","","","","1.029","","","","has coordinates","180258","2020-10-21","18:00:00",""
"7114519","19.517","0.004","11.499","0.002","5.6722","0.0011","90","","90","","90","","1273","0.4","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","bis(selenenylamine)","","- C4 H9 N O Se -","- C4 H9.5 N O Se -","- C32 H76 N8 O8 Se8 -","8","1","","Maaninen, Tiina; Laitinen, Risto; Chivers, Tristram","A monomeric selenium(iv) diimide and a dimeric seleninylamine","Chemical Communications","2002","","17","1812","","10.1039/b205011k","","","0.71073","MoKα","","0.0439","0.036","","","0.0826","0.0861","","","","","","1.102","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114545","13.717","0.001","8.6001","0.0006","12.014","0.008","90","","90","","90","","1417.3","1","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H10 Cl4 Fe Ga -","- C10 H10 Cl4 Fe Ga -","- C40 H40 Cl16 Fe4 Ga4 -","4","0.5","","Scholz, Stefan; Green, Jennifer C.; Lerner, Hans-Wolfram; Bolte, Michael; Wagner, Matthias","A novel multidecker sandwich complex from the reaction of ferrocene with GaCl3","Chemical Communications","2002","","1","36","","10.1039/b108515h","","","0.71073","MoKα","","0.0656","0.0373","","","0.0804","0.0914","","","","","","1.023","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114553","14.4875","0.0014","19.943","0.002","14.4911","0.0015","90","","90","","90","","4186.8","0.7","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C20 H12 Cd4 Cu2 I8 N8 O8 -","- C20 H12 Cd4 Cu2 I8 N8 O8 -","- C80 H48 Cd16 Cu8 I32 N32 O32 -","4","0.5","","Ciurtin, Delia M.; Smith, Mark D.; Loye, Hans-Conrad zur","[Cu(pyrazine-2-carboxylate)2]2Cd4I8: unprecedented 1-D serpentine inorganic chains and regular 2-D metal‒organic square grids in a 3-D framework","Chemical Communications","2002","","1","74","","10.1039/b108219a","","","0.71073","MoKα","","0.0825","0.0664","","","0.1753","0.185","","","","","","1.014","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114594","22.8909","0.0001","11.1074","0.0001","9.0371","0.0001","90","","90","","90","","2297.76","0.03","123.1","0.4","123.1","0.4","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C26 H29 N2 Ni -","- C26 H29 N2 Ni -","- C104 H116 N8 Ni4 -","4","0.5","","Stefan Pelties; Dirk Herrmann; Bas de Bruin; Frantisek Hartl; Robert Wolf","Selective P4 activation by an organometallic nickel(I) radical: formation of a dinuclear nickel(II) tetraphosphide and related di- and trichalcogenides","Chem.Commun.","2014","50","","7014","","10.1039/C4CC02601B","","x-ray","1.54178","CuKα","","0.0309","0.0298","","","0.0789","0.0798","","","","","","1.12","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114597","17.4172","0.0008","7.0912","0.0004","13.2491","0.0008","90","","90","","90","","1636.38","0.15","296.1","","296.1","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H21 B F4 N2 -","- C15 H22 B F4 N2 -","- C60 H88 B4 F16 N8 -","4","0.5","","Travis Lundrigan; T. Stanley Cameron; Alison Thompson","Activation and deprotection of F-BODIPYs using boron trihalides","Chem.Commun.","2014","50","","7028","","10.1039/C4CC02706J","","","0.7107","MoKα","","","0.0595","","","","0.0654","","","","","","1.179","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114614","16.535","0.0015","20.3273","0.0019","11.0518","0.001","90","","90","","90","","3714.6","0.6","145","2","145","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H50 B Cu N4 -","- C39 H50 B Cu N4 -","- C156 H200 B4 Cu4 N16 -","4","0.5","","Valentina A. Krylova; Peter I. Djurovich; Brian L. Conley; Ralf Haiges; Matthew T. Whited; Travis J. Williams; Mark E. Thompson","Control of emission colour with N-heterocyclic carbene (NHC) ligands in phosphorescent three-coordinate Cu(I) complexes","Chem.Commun.","2014","50","","7176","","10.1039/C4CC02037E","","","0.71073","MoKα","","0.0638","0.0439","","","0.0748","0.0769","","","","","","1.524","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7114739","23.7905","0.0007","8.8535","0.0002","15.5522","0.0004","90","","90","","90","","3275.75","0.15","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H26 Cd3 Cl2 N8 -","- C29 Cd3 Cl2 N6 -","- C116 Cd12 Cl8 N24 -","4","0.5","","Yoshikawa, Hirofumi; Nishikiori, Shin-ichi; Suwinska, Kinga; Luboradzki, Roman; Lipkowski, Janusz","Crystal structure of a polycyano‒polycadmate host clathrate including a charge-transfer complex of methylviologen dication and mesitylene as a guest","Chemical Communications","2001","","15","1398","","10.1039/b102076p","","","0.7107","MoKα","","0.1075","0.0564","","0.1639","0.1133","","","","1.316","1.104","1.104","","","","","has coordinates","180261","2020-10-21","18:00:00",""
"7114745","22.941","0.004","36.36","0.004","14.16","0.002","90","","90","","90","","11811","3","288.2","","288.2","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C48 H59.5 Cl2 Cu2 N8.5 O19.5 P -","- C47.5 H45 Cl1.5 Cu2 N8.25 O18 P -","- C380 H360 Cl12 Cu16 N66 O144 P8 -","8","1","","Yamaguchi, Kazuya; Akagi, Fumio; Suzuki, Shinnichiro; Fujinami, Shuhei; Suzuki, Masatatsu; Shionoya, Mitsuhiko","Hydrolysis of phosphodiester with hydroxo- or carboxylate-bridged dinuclear Ni(ii) and Cu(ii) complexes","Chemical Communications","2001","","4","375","","10.1039/b008994j","","","0.7107","MoK\α","","0.1124","0.112","","0.058","","0.058","","","4.255","","","4.26","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115046","8.6718","0.0004","10.7317","0.0005","30.9849","0.0003","90","","90","","90","","2883.55","0.19","296.2","","296.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H32 I6 P4 Pt -","- C12 H32 I6 P4 Pt -","- C48 H128 I24 P16 Pt4 -","4","0.5","","Nagasawa, Isoroku; Makiura, Rie; Ishimaru, Shin’ichi; Kitagawa, Hiroshi; Ikeda, Ryuichi; Kimura, Noriyoshi","An unusual six-co-ordinate platinum(II) complex containing a neutral I2 ligand","Chemical Communications","2001","","17","1642","","10.1039/b103648n","","","0.7107","MoKα","","0.033","0.033","","0.04","","0.04","","","1.346","","","1.35","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115182","14.746","0.003","8.023","0.002","11.034","0.002","90","","90","","90","","1305.4","0.5","210","2","210","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H7 As2 F11 N2 S -","- C4 H7 As2 F10.94 N2 S -","- C16 H28 As8 F43.76 N8 S4 -","4","0.5","","Stanley Cameron, T.; Decken, Andreas; Fang, Min; Passmore, Jack; Wood, Dale J.; Parsons, Simon","Oxidation of methyl groups in the reaction of sulfur homopolyatomic cations with acetonitrile: formation and crystal structure of the novel trithietanylium ring","Chemical Communications","1999","","18","1801","","10.1039/a904107i","","","0.71073","MoKα","","","0.0262","","","0.0615","","","","","1.087","1.087","","","","","has coordinates","180265","2020-10-21","18:00:00",""
"7115194","7.606","0.0003","7.5844","0.0003","11.8422","0.0004","90","","90","","90","","683.14","0.04","123.2","","123.2","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C4 N6 Zn -","- C4 N6 Zn -","- C16 N24 Zn4 -","4","0.5","","Jensen, Paul; Batten, Stuart R.; Fallon, Gary D.; Moubaraki, Boujemaa; Murray, Keith S.; Price, David J.","Structural isomers of M(dca)2 molecule-based magnets. Crystal structure of tetrahedrally coordinated sheet-like β-Zn(dca)2 and β-Co/Zn(dca)2, and the octahedrally coordinated rutile-like α-Co(dca)2, where dca‒ = dicyanamide, N(CN)2−, and magnetism of β-Co(dca)2","Chemical Communications","1999","","2","177","","10.1039/a808777f","","","0.7107","MoKalpha","","","0.0225","","","0.0226","","","","","2.238","2.238","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115195","7.607","0.0003","7.5828","0.0004","11.8468","0.0006","90","","90","","90","","683.35","0.06","123.2","","123.2","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C4 N6 Zn -","- C4 N6 Zn -","- C16 N24 Zn4 -","4","0.5","","Jensen, Paul; Batten, Stuart R.; Fallon, Gary D.; Moubaraki, Boujemaa; Murray, Keith S.; Price, David J.","Structural isomers of M(dca)2 molecule-based magnets. Crystal structure of tetrahedrally coordinated sheet-like β-Zn(dca)2 and β-Co/Zn(dca)2, and the octahedrally coordinated rutile-like α-Co(dca)2, where dca‒ = dicyanamide, N(CN)2−, and magnetism of β-Co(dca)2","Chemical Communications","1999","","2","177","","10.1039/a808777f","","","0.7107","MoKalpha","","","0.0273","","","0.0244","","","","","2.252","2.252","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115351","7.3519","0.0003","16.6654","0.0009","11.3344","0.0005","90","","90","","90","","1388.72","0.11","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","0.5","","Shinaj K. Rajagopal; Abbey M. Philip; Kalaivanan Nagarajan; Mahesh Hariharan","Progressive acylation of pyrene engineers solid state packing and colour via C-H...H-C, C-H...O and pi-pi interactions","Chem.Commun.","2014","50","","8644","","10.1039/C4cc01897D","","","0.71073","MoKα","","0.0601","0.0427","","","0.1126","0.1277","","","","","","1.036","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115475","15.11825","0.00009","19.66971","0.00014","9.20725","0.00006","90","","90","","90","","2737.97","0.03","173","","173","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H35 Al F N3 -","- C29 H35 Al F N3 -","- C116 H140 Al4 F4 N12 -","4","0.5","","Adi E. Nako; Sarah J. Gates; Nicole Schadel; Andrew J. P. White; Mark R. Crimmin","Yttrium-catalysed dehydrocoupling of alanes with amines","Chem.Commun.","2014","50","","9536","","10.1039/C4cc04484C","","","1.54184","CuKα","","0.0428","0.0406","","","0.1204","0.1225","","","","","","1.057","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115719","12.7715","0.0012","6.5471","0.0006","5.2055","0.0005","90","","90","","90","","435.26","0.07","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C H7 B Cl N -","- C H7 B Cl N -","- C4 H28 B4 Cl4 N4 -","4","0.5","","Owen J. Metters; Andy M. Chapman; Alasdair P. M. Robertson; Christopher H. Woodall; Paul J. Gates; Duncan F. Wass; Ian Manners","Generation of aminoborane monomers RR'N[double bond, length as m-dash]BH2 from amine-boronium cations [RR'NH-BH2L]^+^: metal catalyst-free formation of polyaminoboranes at ambient temperature","Chem.Commun.","2014","50","","12146","","10.1039/C4cc05145A","","","0.71073","MoKα","","0.0237","0.0199","","","0.0518","0.054","","","","","","1.075","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115782","12.4626","0.0006","6.6321","0.0003","13.828","0.0007","90","","90","","90","","1142.93","0.1","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C11 H10 B Br F2 N2 -","- C11 H10 B Br F2 N2 -","- C44 H40 B4 Br4 F8 N8 -","4","0.5","","Marcel Wirtz; Andreas Gruter; Philipp Rebmann; Tobias Dier; Dietrich A. Volmer; Volker Huch; Gregor Jung","Two-color emissive probes for click reactions","Chem.Commun.","2014","50","","12694","","10.1039/C4cc05288A","","","0.71073","MoKα","","0.0783","0.0609","","","0.1703","0.1797","","","","","","1.125","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7116029","19.2432","0.0008","19.6828","0.0008","19.9173","0.0009","90","","90","","90","","7543.9","0.6","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","{Rh2(O2CCH3)4N(CH2CH2)2NC60}n.nC60.2nCS2","(2)","","- C134 H20 N2 O8 Rh2 S4 -","- C134 H20 N2 O8 Rh2 S4 -","- C536 H80 N8 O32 Rh8 S16 -","4","0.5","","Amineh Aghabali; Marilyn M. Olmstead; Alan L. Balch","Zipping up fullerenes into polymers using rhodium(II) acetate dimer and N(CH2CH2)2NC60 as building blocks","Chem.Commun.","2014","50","","15152","","10.1039/C4cc06995A","","","1.54178","CuKα","","0.0632","0.0603","","","0.172","0.1748","","","","","","1.03","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116030","19.3103","0.0008","19.7315","0.0008","19.9656","0.0009","90","","90","","90","","7607.3","0.6","180","2","180","2","","","","","","","","6","P n m a","-P 2ac 2n","62","{Rh2(O2CCH3)4N(CH2CH2)2NC60}nnC602nCS2","(2) at 180K","","- C134 H20 N2 O8 Rh2 S4 -","- C134 H20 N2 O8 Rh2 S4 -","- C536 H80 N8 O32 Rh8 S16 -","4","0.5","","Amineh Aghabali; Marilyn M. Olmstead; Alan L. Balch","Zipping up fullerenes into polymers using rhodium(II) acetate dimer and N(CH2CH2)2NC60 as building blocks","Chem.Commun.","2014","50","","15152","","10.1039/C4cc06995A","","","0.71073","MoKα","","0.1163","0.0837","","","0.2316","0.2605","","","","","","1.066","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116031","19.3895","0.001","19.8056","0.001","20.0289","0.001","90","","90","","90","","7691.5","0.7","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","{Rh2(O2CCH3)4-N(CH2CH2)2NC60}n.nC60.2nCS2","(2)at296K","","- C134 H20 N2 O8 Rh2 S4 -","- C134 H20 N2 O8 Rh2 S4 -","- C536 H80 N8 O32 Rh8 S16 -","4","0.5","","Amineh Aghabali; Marilyn M. Olmstead; Alan L. Balch","Zipping up fullerenes into polymers using rhodium(II) acetate dimer and N(CH2CH2)2NC60 as building blocks","Chem.Commun.","2014","50","","15152","","10.1039/C4cc06995A","","","0.71073","MoKα","","0.1283","0.0886","","","0.252","0.2898","","","","","","1.05","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116032","15.7899","0.0014","19.3598","0.0017","15.892","0.0014","90","","90","","90","","4858","0.7","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","{Rh2(O2CCH3)4N(CH2CH2)2NC60}n.2nCS2","(1)","","- C37 H10 N O4 Rh S2 -","- C37 H10 N O4 Rh S2 -","- C296 H80 N8 O32 Rh8 S16 -","8","1","","Amineh Aghabali; Marilyn M. Olmstead; Alan L. Balch","Zipping up fullerenes into polymers using rhodium(II) acetate dimer and N(CH2CH2)2NC60 as building blocks","Chem.Commun.","2014","50","","15152","","10.1039/C4cc06995A","","","0.71073","MoKα","","0.0277","0.0274","","","0.0726","0.0729","","","","","","1.092","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116171","14.237","0.002","14.568","0.003","8.8236","0.0017","90","","90","","90","","1830.1","0.6","93","","93","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H28 F3 Ir N2 -","- C18 H28 F3 Ir N2 -","- C72 H112 F12 Ir4 N8 -","4","0.5","","Byron J. Truscott; Fady Nahra; Alexandra M. Z. Slawin; David B. Cordes; Steven P. Nolan","Fluoride, bifluoride and trifluoromethyl complexes of iridium(I) and rhodium(I)","Chem.Commun.","2015","51","","62","","10.1039/C4cc07772E","","","0.71075","MoKα","","","0.0343","","","","0.0874","","","","","","1.047","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116258","16.5769","0.0004","15.1415","0.0003","10.0908","0.0002","90","","90","","90","","2532.78","0.09","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Dipropylammonium perchlorate 18-crown-6","","","- C18 H40 Cl N O10 -","- C18 H40 Cl N O10 -","- C72 H160 Cl4 N4 O40 -","4","0.5","","Ji, Chengmin; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Chen, Tianliang; Tang, Yuanyuan; Luo, Junhua","A host-guest inclusion compound for reversible switching of quadratic nonlinear optical properties.","Chemical communications (Cambridge, England)","2015","51","12","2298","2300","10.1039/c4cc08711a","","","1.54184","CuKα","","0.0578","0.0469","","","0.127","0.1367","","","","","","1.059","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116261","8.5346","0.0003","7.5928","0.0003","16.1352","0.0006","90","","90","","90","","1045.59","0.07","170","2","170","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(Dipropylammonium)(ClO4)","","","- C6 H16 Cl N O4 -","- C6 H16 Cl N O4.002 -","- C24 H64 Cl4 N4 O16.008 -","4","0.5","","Ji, Chengmin; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Chen, Tianliang; Tang, Yuanyuan; Luo, Junhua","A host-guest inclusion compound for reversible switching of quadratic nonlinear optical properties.","Chemical communications (Cambridge, England)","2015","51","12","2298","2300","10.1039/c4cc08711a","","","0.71073","MoKα","","0.0454","0.0346","","","0.083","0.0894","","","","","","1.078","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116760","15.1947","0.0004","12.6157","0.0003","16.666","0.0004","90","","90","","90","","3194.74","0.14","163","2","163","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Monoanionic Lithium Carbene","","- C25 H48 B11 Li N2 O3 -","- C25 H48 B11 Li N2 O3 -","- C100 H192 B44 Li4 N8 O12 -","4","0.5","","Matthew J. Asay; Steven P. Fisher; Sarah E. Lee; Fook S. Tham; Dan Borchardt; Vincent Lavallo","Synthesis of unsymmetrical N-carboranyl NHCs: directing effect of the carborane anion","Chem.Commun.","2015","51","","5359","","10.1039/C4cc08267B","","","0.71073","MoKα","","0.0667","0.0513","","","0.1426","0.1565","","","","","","1.037","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116778","13.8799","0.001","16.5053","0.0012","11.7284","0.0007","90","","90","","90","","2686.9","0.3","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","CpFe(PEt3)2(Bpin)","","","- C23 H47 B Fe O2 P2 -","- C23 H46.124 B Fe O2 P2 -","- C92 H184.496 B4 Fe4 O8 P8 -","4","0.5","","Thomas J. Mazzacano; Neal P. Mankad","Thermal C-H borylation using a CO-free iron boryl complex","Chem.Commun.","2015","51","","5379","","10.1039/C4cc09180A","","","0.71073","","","0.0472","0.0344","","","0.0933","0.104","","","","","","1.019","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7117220","10.6565","0.0007","16.8754","0.0011","19.1418","0.0013","90","","90","","90","","3442.3","0.4","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H18 Ag2 F12 N18 P2 -","- C24 H18 Ag2 F12 N18 P2 -","- C96 H72 Ag8 F48 N72 P8 -","4","0.5","","Damir A. Safin; Amelie Pialat; Alicea A. Leitch; Nikolay A. Tumanov; Ilia Korobkov; Yaroslav Filinchuk; Jaclyn L. Brusso; Muralee Murugesu","Anion-induced Ag^I^ self-assemblies with electron deficient aromatic ligands: anion-pi-system interactions as a driving force for templated coordination networks","Chem.Commun.","2015","51","","9547","","10.1039/C5cc01597A","","","0.71073","MoKα","","0.082","0.0694","","","0.1667","0.1766","","","","","","1.048","","","","has coordinates,has disorder","137481","2020-10-21","18:00:00",""
"7117625","9.2644","0.0008","14.3849","0.0012","17.7198","0.0012","90","","90","","90","","2361.5","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H36 N4 P2 -","- C20 H38 N4 P2 -","- C80 H152 N16 P8 -","4","0.5","","Su, Jing; Wang, Bingqiang; Liu, Dongling; Du, Libo; Liu, Yang; Su, Jihu; Zheng, Wenjun","A 1,2,4-diazaphospholyl radical and its nitrogen-phosphorus coupled dimer: synthesis, X-ray structural characterization, EPR analysis, and computational studies.","Chemical communications (Cambridge, England)","2015","51","63","12680","12683","10.1039/c5cc05125h","","","0.71073","MoKα","","0.0769","0.0473","","","0.1142","0.1287","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117771","10.328","","6.019","","4.782","","90","","90","","90","","297.269","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Co2 (Si O4)","","- Co2 O4 Si -","- Co2 O4 Si -","- Co8 O16 Si4 -","4","0.5","","Kratochvil, B.; Podlahova, J.; Hasek, J.","Determination of the crystal structure of cobalt(II) orthosilicate","Collection of Czechoslovak Chemical Communication","1979","44","","3350","3356","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117967","23.8532","0.0002","16.58652","0.00016","19.13712","0.00018","90","","90","","90","","7571.44","0.12","123","0.1","123","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C79 H93 Cl2 N9 O12 -","- C78.54 H93 Cl2 N8.77 O12 -","- C314.16 H372 Cl8 N35.08 O48 -","4","0.5","","Guobao Huang; Zhenfeng He; Chen-Xi Cai; Fangfang Pan; Dingqiao Yang; Kari Rissanen; Wei Jiang","Bis-urea macrocycles with a deep cavity","Chem.Commun.","2015","51","","15490","","10.1039/C5cc06768E","","x-ray","1.54184","CuKα","","0.0763","0.0682","","","0.194","0.2042","","","","","","1.028","","","","has coordinates,has disorder","169192","2020-10-21","18:00:00",""
"7118039","11.427","0.007","6.76","0.004","14.006","0.009","90","","90","","90","","1081.9","1.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H28 F12 N16 O4 -","- C40 H28 F12 N16 O4 -","- C40 H28 F12 N16 O4 -","1","0.125","","Chen, Zhen; Fan, Shuang-Qing; Zheng, Yan; Ma, Jun-An","Silver-catalyzed regioselective [3+2] cycloaddition of arene-diazonium salts with 2,2,2-trifluorodiazoethane (CF3CHN2): a facile access to 2-aryl-5-trifluoromethyltetrazoles.","Chemical communications (Cambridge, England)","2015","51","92","16545","16548","10.1039/c5cc07324c","","","0.71073","MoKα","","0.0681","0.0617","","","0.1759","0.183","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118040","9.5762","0.0008","7.0422","0.0006","14.1082","0.0011","90","","90","","90","","951.42","0.14","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H5 F3 N4 O -","- C8 H5 F3 N4 O -","- C32 H20 F12 N16 O4 -","4","0.5","","Chen, Zhen; Fan, Shuang-Qing; Zheng, Yan; Ma, Jun-An","Silver-catalyzed regioselective [3+2] cycloaddition of arene-diazonium salts with 2,2,2-trifluorodiazoethane (CF3CHN2): a facile access to 2-aryl-5-trifluoromethyltetrazoles.","Chemical communications (Cambridge, England)","2015","51","92","16545","16548","10.1039/c5cc07324c","","","0.71073","MoKα","","0.0839","0.0745","","","0.2266","0.2392","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118081","23.387","0.005","17.301","0.004","18.913","0.004","90","","90","","90","","7653","3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C280 H312 Cl24 Fe4 I12 N16 -","- C280 H312 Cl24 Fe4 I12 N16 -","- C280 H312 Cl24 Fe4 I12 N16 -","1","0.125","","Dipankar Sahoo; Sankar Prasad Rath","Controlled generation of highly saddled (porphyrinato)iron(III) iodide, tri-iodide and one-electron oxidized complexes","Chem.Commun.","2015","51","","16790","","10.1039/C5cc07111A","","","0.71073","MoKα","","0.1252","0.074","","","0.1983","0.2379","","","","","","1.046","","","","has coordinates,has disorder","170681","2020-10-21","18:00:00",""
"7118254","15.9415","0.0012","14.8517","0.0012","6.2573","0.0005","90","","90","","90","","1481.5","0.2","103","2","103","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","0.5","","Zhu, Xu; Chiba, Shunsuke","Construction of 1-pyrroline skeletons by Lewis acid-mediated conjugate addition of vinyl azides.","Chemical communications (Cambridge, England)","2016","52","12","2473","2476","10.1039/c5cc10299e","","","0.71073","MoKα","","0.1131","0.0485","","","0.1073","0.1308","","","","","","1.022","","","","has coordinates,has disorder","175868","2020-10-21","18:00:00",""
"7118800","15.7075","0.0007","6.8525","0.0003","20.3447","0.001","90","","90","","90","","2189.81","0.17","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H21 Au F6 N3 P -","- C20 H21 Au F6 N3 P -","- C80 H84 Au4 F24 N12 P4 -","4","0.5","","Xiao, Xin-Shan; Zou, Chao; Guan, Xiangguo; Yang, Chen; Lu, Wei; Che, Chi-Ming","Homoleptic gold(i) N-heterocyclic allenylidene complexes: excited-state properties and lyotropic chromonics.","Chemical communications (Cambridge, England)","2016","52","28","4983","4986","10.1039/c5cc09571a","","","1.54178","CuKα","","0.056","0.0559","","","0.1323","0.1324","","","","","","1.123","","","","has coordinates,has disorder","181568","2020-10-21","18:00:00",""
"7118817","22.5211","0.0011","12.1599","0.0006","7.8427","0.0004","90","","90","","90","","2147.76","0.19","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Cp*H)Rh(bpy)Cl","","- C21 H26 Cl3 N2 Rh -","- C21 H26 Cl3 N2 Rh -","- C84 H104 Cl12 N8 Rh4 -","4","0.5","","Pitman, C. L.; Finster, O. N. L.; Miller, A. J. M.","Cyclopentadiene-mediated hydride transfer from rhodium complexes.","Chemical communications (Cambridge, England)","2016","52","58","9105","9108","10.1039/c6cc00575f","","","1.54178","CuKα","","0.0224","0.022","","","0.0549","0.0551","","","","","","1.113","","","","has coordinates,has disorder","185099","2020-10-21","18:00:00",""
"7118867","16.0606","0.0004","13.9864","0.0003","19.4745","0.0004","90","","90","","90","","4374.56","0.17","130","2","130","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H36 Bi Br13 N4 -","- C28 H36 Bi Br13 N4 -","- C112 H144 Bi4 Br52 N16 -","4","0.5","","Adonin, Sergey A.; Gorokh, Igor D.; Samsonenko, Denis G.; Sokolov, Maxim N.; Fedin, Vladimir P.","Bi(iii) polybromides: a new chapter in coordination chemistry of bismuth.","Chemical communications (Cambridge, England)","2016","52","28","5061","5063","10.1039/c6cc01704e","","x-ray","0.71073","MoKα","","0.0346","0.0227","","","0.0339","0.0362","","","","","","1.031","","","","has coordinates","181567","2020-10-21","18:00:00",""
"7118981","17.159","0.003","13.438","0.003","11.014","0.002","90","","90","","90","","2539.6","0.9","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H36 B10 N P -","- C19 H36 B10 N P -","- C76 H144 B40 N4 P4 -","4","0.5","","Tek Long Chan; Zuowei Xie","The synthesis, structure and reactivity of an imine-stabilized carboranylphosphorus(I) compound","Chem.Commun.","2016","52","","7280","","","","","0.71073","MoKα","","0.1182","0.0728","","","0.1884","0.2258","","","","","","1.021","","","","has coordinates","183175","2020-10-21","18:00:00",""
"7118986","17.4405","0.0003","13.6893","0.0003","10.8979","0.0002","90","","90","","90","","2601.85","0.09","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H37 B10 Cl N P -","- C19 H37 B10 Cl N P -","- C76 H148 B40 Cl4 N4 P4 -","4","0.5","","Tek Long Chan; Zuowei Xie","The synthesis, structure and reactivity of an imine-stabilized carboranylphosphorus(I) compound","Chem.Commun.","2016","52","","7280","","","","","0.71073","MoKα","","0.0624","0.0467","","","0.1152","0.1268","","","","","","1.03","","","","has coordinates","183175","2020-10-21","18:00:00",""
"7119294","12.8186","0.001","6.8399","0.0006","9.8413","0.0007","90","","90","","90","","862.86","0.12","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H7 F3 N2 -","- C9 H7 F3 N2 -","- C36 H28 F12 N8 -","4","0.5","","Gao, Guo-Lin; Yang, Chao; Xia, Wujiong","Selective C-H trifluoromethylation of benzimidazoles through photoredox catalysis.","Chemical communications (Cambridge, England)","2017","53","6","1041","1044","10.1039/c6cc08975e","","x-ray","0.71073","MoKα","","0.0728","0.0471","","","0.1138","0.1361","","","","","","1.045","","","","has coordinates,has disorder","191477","2020-10-21","18:00:00",""
"7119523","12.4837","0.0007","23.7851","0.0013","8.6713","0.0005","90","","90","","90","","2574.7","0.3","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H26 Cl2 N6 O2 Zn -","- C26 H26 Cl2 N6 O2 Zn -","- C104 H104 Cl8 N24 O8 Zn4 -","4","0.5","","Offiler, Caroline A.; Jones, Christopher D.; Steed, Jonathan W.","Metal 'turn-off', anion 'turn-on' gelation cascade in pyridinylmethyl ureas.","Chemical communications (Cambridge, England)","2017","53","12","2024","2027","10.1039/c6cc09126a","","","0.71073","MoKα","","0.0707","0.0401","","","0.084","0.0931","","","","","","1.057","","","","has coordinates","193722","2020-10-21","18:00:00",""
"7119713","10.9016","0.0007","21.6336","0.0017","11.6083","0.0008","90","","90","","90","","2737.7","0.3","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C30 H38 N2 Pb -","- C30 H38 N2 Pb -","- C120 H152 N8 Pb4 -","4","0.5","","Janes, Trevor; Zatsepin, Pavel; Song, Datong","Reactivity of heavy carbene analogues towards oxidants: a redox active ligand-enabled isolation of a paramagnetic stannylene.","Chemical communications (Cambridge, England)","2017","53","21","3090","3093","10.1039/c7cc00837f","","","0.71073","MoKα","","0.0429","0.0275","","","0.0571","0.0614","","","","","","1.019","","","","has coordinates,has disorder","194983","2020-10-21","18:00:00",""
"7119724","14.388","0.003","6.6658","0.0013","14.112","0.003","90","","90","","90","","1353.4","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","0.5","","Wu, Xia; Geng, Xiao; Zhao, Peng; Zhang, Jingjing; Wu, Yan-Dong; Wu, An-Xin","I2-Promoted formal [3+2] cycloaddition of α-methylenyl isocyanides with methyl ketones: a route to 2,5-disubstituted oxazoles.","Chemical communications (Cambridge, England)","2017","53","24","3438","3441","10.1039/c6cc10275a","","","0.71073","MoKα","","0.1062","0.0755","","","0.2062","0.246","","","","","","1.011","","","","has coordinates,has disorder","194938","2020-10-21","18:00:00",""
"7119861","18.797","0.004","18.398","0.004","13.758","0.003","90","","90","","90","","4757.9","1.8","291","2","291","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C40 H42 F12 N8 O4 P2 Pd2 -","- C40 H42 F12 N8 O4 P2 Pd2 -","- C160 H168 F48 N32 O16 P8 Pd8 -","4","0.5","","Chen, Zi-Man; Cui, Yu; Jiang, Xuan-Feng; Tong, Jin; Yu, Shu-Yan","Programmable self-assembly of water-soluble organo-heterometallic cages [M12M'4L12] using 3-(3,5-dimethyl-1H-pyrazol-4-yl)pentane-2,4-dione (H2L).","Chemical communications (Cambridge, England)","2017","53","30","4238","4241","10.1039/c7cc00425g","","","0.71073","MoKα","","0.0377","0.0327","","","0.0892","0.0909","","","","","","1.061","","","","has coordinates","196275","2020-10-21","18:00:00",""
"7119921","16.8714","0.0006","16.9302","0.0007","17.1112","0.0006","90","","90","","90","","4887.6","0.3","102","2","102","2","","","","","","","","6","P n m a","-P 2ac 2n","62","JA-i-10","","","- C20 H40 Cl2 N Os P2 -","- C20 H40 Cl2 N Os P2 -","- C160 H320 Cl16 N8 Os8 P16 -","8","1","","Abbenseth, Josh; Diefenbach, Martin; Bete, Sarah C.; Würtele, Christian; Volkmann, Christian; Demeshko, Serhiy; Holthausen, Max C.; Schneider, Sven","A Square-Planar Osmium(II) Complex","Chem. Commun.","2017","","","","","10.1039/C7CC01569K","","","0.71073","MoKα","","0.0459","0.0392","","","0.0761","0.0784","","","","","","1.549","","","","has coordinates,has disorder","195268","2020-10-21","18:00:00",""
"7119942","27.1536","0.0016","24.959","0.0009","13.8885","0.0008","90","","90","","90","","9412.6","0.8","105.9","","105.9","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C58 H134 Cr Mo6 N3 O30 -","- C59 H134 Cr Mo6 N3 O30 -","- C236 H536 Cr4 Mo24 N12 O120 -","4","0.5","","Hao, Jian; Wei, Yongge; Xu, Qinghong; Yuan, Shanshan; Zhu, Li","Synthesis of novel bis(Triol)-functionalized Anderson clusters serving as potential synthons for forming organic-inorganic hybrid chains on purpose","Chem. Commun.","2017","","","","","10.1039/C7CC01971H","","","0.7107","MoKα","","0.1644","0.1229","","","0.2985","0.3233","","","","","","1.062","","","","has coordinates,has disorder","195395","2020-10-21","18:00:00",""
"7119944","24.6313","0.0005","43.4932","0.0013","14.5597","0.0003","90","","90","","90","","15597.7","0.6","107.7","","107.7","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C51.88 H118.72 Cr Mo6 N4.96 O27.46 -","- C51.88 H119.72 Cr Mo6 N4.96 O27.46 -","- C415.04 H957.76 Cr8 Mo48 N39.68 O219.68 -","8","1","","Hao, Jian; Wei, Yongge; Xu, Qinghong; Yuan, Shanshan; Zhu, Li","Synthesis of novel bis(Triol)-functionalized Anderson clusters serving as potential synthons for forming organic-inorganic hybrid chains on purpose","Chem. Commun.","2017","","","","","10.1039/C7CC01971H","","","1.5418","CuKα","","0.1268","0.1065","","","0.2686","0.2835","","","","","","1.091","","","","has coordinates,has disorder","195395","2020-10-21","18:00:00",""
"7120001","14.892","0.005","6.4795","0.0019","10.752","0.003","90","","90","","90","","1037.5","0.5","93","2","93","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C11 H12 N6 -","- C11 H12 N6 -","- C44 H48 N24 -","4","0.5","","Watanabe, Hiroyuki; Hirose, Masataka; Tanaka, Kazuo; Chujo, Yoshiki","Development of emissive aminopentaazaphenalene derivatives employing a design strategy for obtaining luminescent conjugated molecules by modulating the symmetry of molecular orbitals with substituent effects.","Chemical communications (Cambridge, England)","2017","53","36","5036","5039","10.1039/c7cc01287j","","","0.71075","MoKα","","0.0927","0.0613","","","0.1322","0.1468","","","","","","1.085","","","","has coordinates","196288","2020-10-21","18:00:00",""
"7120153","10.4802","0.0007","6.3738","0.0004","14.7815","0.0011","90","","90","","90","","987.38","0.12","230","2","230","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H18 N2 O5 S -","- C4 H18 N2 O5 S -","- C16 H72 N8 O20 S4 -","4","0.5","","Liu, Sijie; sun, zhihua; Ji, Chengmin; li, lina; Zhao, Sangen; Luo, Junhua","Exceptional bi-step switching of quadratic nonlinear optical properties in a one-dimensional channel compound","Chem. Commun.","2017","","","","","10.1039/C7CC02625K","","","1.54184","CuKα","","0.0403","0.0363","","","0.0966","0.0988","","","","","","1.138","","","","has coordinates","196802","2020-10-21","18:00:00",""
"7120156","10.5127","0.0002","6.3992","0.0001","14.828","0.0003","90","","90","","90","","997.52","0.03","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H18 N2 O5 S -","- C4 H18 N2 O5 S -","- C16 H72 N8 O20 S4 -","4","0.5","","Liu, Sijie; sun, zhihua; Ji, Chengmin; li, lina; Zhao, Sangen; Luo, Junhua","Exceptional bi-step switching of quadratic nonlinear optical properties in a one-dimensional channel compound","Chem. Commun.","2017","","","","","10.1039/C7CC02625K","","","1.54184","CuKα","","0.0323","0.0308","","","0.0831","0.084","","","","","","1.124","","","","has coordinates,has disorder","196802","2020-10-21","18:00:00",""
"7120157","10.4817","0.0006","6.3775","0.0004","14.7703","0.001","90","","90","","90","","987.35","0.11","215","2","215","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H18 N2 O5 S -","- C4 H18 N2 O5 S -","- C16 H72 N8 O20 S4 -","4","0.5","","Liu, Sijie; sun, zhihua; Ji, Chengmin; li, lina; Zhao, Sangen; Luo, Junhua","Exceptional bi-step switching of quadratic nonlinear optical properties in a one-dimensional channel compound","Chem. Commun.","2017","","","","","10.1039/C7CC02625K","","","1.54184","CuKα","","0.0429","0.0392","","","0.0997","0.1024","","","","","","1.125","","","","has coordinates","196802","2020-10-21","18:00:00",""
"7120458","34.304","0.002","29.2049","0.0019","18.7738","0.0011","90","","90","","90","","18808","2","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","porphMOM-1","","- C57.96 H27.95 Fe0.43 N3.58 O37.23 S1.73 Zn5.9 -","- C57.98 H27.95 Fe0.435 N3.59 O37.295 S1.73 Zn5.9 -","- C463.84 H223.6 Fe3.48 N28.72 O298.36 S13.84 Zn47.2 -","8","1","","Chen, Yao; Wojtas, Lukasz; Ma, Shengqian; Zaworotko, Michael; Zhang, Zhenjie","Post-Synthetic Transformation of a Novel Zn(II) Polyhedral Coordination Network into a New Supramolecular Isomer of HKUST-1","Chem. Commun.","2017","","","","","10.1039/C7CC04958G","","","0.71073","MoKα","","0.1121","0.0824","","","0.2413","0.2694","","","","","","0.991","","","","has coordinates,has disorder","198766","2020-10-21","18:00:00",""
"7120874","8.0404","0.0008","13.3233","0.0017","15.2895","0.0017","90","","90","","90","","1637.9","0.3","150","2","150","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C22 H21 N -","- C22 H21 N -","- C88 H84 N4 -","4","0.5","","LaFortune, James H. W.; Bayne, Julia M.; Johnstone, Timothy C.; Fan, Louie; Stephan, Douglas W.","Catalytic double hydroarylation of alkynes to 9,9-disubstituted 9,10-dihydroacridine derivatives by an electrophilic phenoxyphosphonium dication","Chemical Communications","2017","","","","","10.1039/C7CC08037A","","","0.71073","MoKα","","0.0987","0.0861","","","0.1908","0.1977","","","","","","1.177","","","","has coordinates","203221","2020-10-21","18:00:00",""
"7121048","17.345","0.002","12.6451","0.0012","9.131","0.0007","90","","90","","90","","2002.7","0.3","170","","170","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H20 B11 Cu N4 -","- C11 H20 B11 Cu N4 -","- C44 H80 B44 Cu4 N16 -","4","0.5","","Zhang, Kang; Shen, Yunjun; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","Crystal structure of a carborane endo/exo-dianion and its use in the synthesis of ditopic ligands for supramolecular frameworks.","Chemical communications (Cambridge, England)","2018","54","14","1698","1701","10.1039/c7cc07724f","","","0.71073","MoKα","","0.067","0.046","","","0.099","0.1098","","","","","","1.055","","","","has coordinates","228392","2020-10-21","18:00:00",""
"7121070","12.1906","0.0002","18.7742","0.0003","9.17539","0.00017","90","","90","","90","","2099.96","0.06","294","","294","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H15 F10 Rh -","- C22 H15 F10 Rh -","- C88 H60 F40 Rh4 -","4","0.5","","Peñas-Defrutos, M N; Bartolomé, C; García-Melchor, M; Espinet, P.","Hidden aryl-exchange processes in stable 16e Rh<sup>III</sup> [RhCp*Ar<sub>2</sub>] complexes, and their unexpected transmetalation mechanism.","Chemical communications (Cambridge, England)","2018","54","8","984","987","10.1039/c7cc09352g","","","1.54184","CuKα","","0.0536","0.0449","","","0.116","0.1249","","","","","","1.058","","","","has coordinates,has disorder","228105","2020-10-21","18:00:00",""
"7121093","11.8697","0.0003","17.1607","0.0004","13.7508","0.0003","90","","90","","90","","2800.93","0.11","120","0.1","120","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H48 Bi N3 O2 Si2 -","- C21 H48 Bi N3 O2 Si2 -","- C84 H192 Bi4 N12 O8 Si8 -","4","0.5","","Schwamm, R. J.; Lein, M.; Coles, M. P.; Fitchett, C. M.","Catalytic oxidative coupling promoted by bismuth TEMPOxide complexes.","Chemical communications (Cambridge, England)","2018","54","8","916","919","10.1039/c7cc08402a","","x-ray","0.71073","MoKα","","0.0309","0.0242","","","0.0498","0.0521","","","","","","1.036","","","","has coordinates,has disorder","228103","2020-10-21","18:00:00",""
"7121528","13.0708","0.0007","7.9573","0.0005","20.1605","0.001","90","","90","","90","","2096.9","0.2","350","0.1","350","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H28 Cl5 N2 Sb -","- C12 H28 Cl5 N2 Sb -","- C48 H112 Cl20 N8 Sb4 -","4","0.5","","Zhang, Jing; Han, Shiguo; Liu, Xitao; Wu, Zhenyue; Ji, Chengmin; Sun, Zhihua; Luo, Junhua","A lead-free perovskite-like hybrid with above-room-temperature switching of quadratic nonlinear optical properties.","Chemical communications (Cambridge, England)","2018","54","44","5614","5617","10.1039/c8cc02496k","","x-ray","0.71073","MoKα","","0.1088","0.0623","","","0.1652","0.1954","","","","","","1.029","","","","has coordinates","228029","2020-10-21","18:00:00",""
"7122011","14.7369","0.0009","20.2843","0.0014","7.0652","0.0005","90","","90","","90","","2112","0.2","110","","110.04","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Chloridodifluorido-(1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene)gold(III)","","- C21 H26 Au Cl F2 N2 -","- C21 H26 Au Cl F2 N2 -","- C84 H104 Au4 Cl4 F8 N8 -","4","0.5","","Ellwanger, Mathias A.; von Randow, Clara; Steinhauer, Simon; Zhou, Yunfei; Wiesner, Anja; Beckers, Helmut; Braun, Thomas; Riedel, Sebastian","Tuning the Lewis acidity of difluorido gold(iii) complexes: the synthesis of [AuClF<sub>2</sub>(SIMes)] and [AuF<sub>2</sub>(OTeF<sub>5</sub>)(SIMes)].","Chemical communications (Cambridge, England)","2018","54","67","9301","9304","10.1039/c8cc05233f","","x-ray","0.71073","MoKα","","0.0234","0.0203","","","0.0435","0.0444","","","","","","1.118","","","","has coordinates,has disorder","228567","2020-10-21","18:00:00",""
"7122049","7.1223","0.0015","10.448","0.002","11.389","0.003","90","","90","","90","","847.5","0.3","173","","173","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H6 N6 O6 -","- C4 H6 N6 O6 -","- C16 H24 N24 O24 -","4","0.5","","Yan, Chao; Yang, Hongwei; Qi, Xiujuan; Jin, Yunhe; Wang, Kangcai; Liu, Tianlin; Tian, Junjun; Nie, Fude; Cheng, Guangbin; Zhang, Qinghua","A simple and versatile strategy for taming FOX-7.","Chemical communications (Cambridge, England)","2018","54","67","9333","9336","10.1039/c8cc05562a","","","0.71073","MoKα","","0.0851","0.0526","","","0.1521","0.1956","","","","","","1.109","","","","has coordinates,has disorder","228572","2020-10-21","18:00:00",""
"7122303","17.6116","0.0019","13.4206","0.0015","10.1455","0.0011","90","","90","","90","","2398","0.5","110","","110","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H28 Ce Fe N O3 -","- C28 H28 Ce Fe N O3 -","- C112 H112 Ce4 Fe4 N4 O12 -","4","0.5","","Burns, Corey P.; Yang, Xin; Sung, Siyoung; Wofford, Joshua D.; Bhuvanesh, Nattamai S.; Hall, Michael B.; Nippe, Michael","Towards understanding of lanthanide-transition metal bonding: investigations of the first Ce-Fe bonded complex.","Chemical communications (Cambridge, England)","2018","54","77","10893","10896","10.1039/c8cc05243c","","","0.71073","MoKα","","0.0226","0.0195","","","0.0444","0.0464","","","","","","1.078","","","","has coordinates","228065","2020-10-21","18:00:00",""
"7122422","17.216","0.0008","20.2934","0.0009","7.1911","0.0004","90","","90","","90","","2512.4","0.2","100","2","100.01","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H12 Co F24 N O4 -","- C16 H12 Co F24 N O4 -","- C64 H48 Co4 F96 N4 O16 -","4","0.5","","Steele, Jennifer L.; Tahsini, Laleh; Sun, Chen; Elinburg, Jessica K.; Kotyk, Christopher M.; McNeely, James; Stoian, Sebastian A.; Dragulescu-Andrasi, Alina; Ozarowski, Andrew; Ozerov, M.; Krzystek, J.; Telser, Joshua; Bacon, Jeffrey W.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Square-planar Co(iii) in {O<sub>4</sub>} coordination: large ZFS and reactivity with ROS.","Chemical communications (Cambridge, England)","2018","54","85","12045","12048","10.1039/c8cc04464c","","","1.54178","CuKα","","0.0445","0.0408","","","0.1061","0.1091","","","","","","1.048","","","","has coordinates,has disorder","228374","2020-10-21","18:00:00",""
"7122624","6.1464","0.0011","6.8359","0.0012","19.339","0.003","90","","90","","90","","812.6","0.2","90","","90","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H9 N3 O -","- C9 H9 N3 O -","- C36 H36 N12 O4 -","4","0.5","","An, Peng; Wu, Hsuan-Yi; Lewandowski, Tracey M.; Lin, Qing","Hydrophilic azaspiroalkenes as robust bioorthogonal reporters.","Chemical communications (Cambridge, England)","2018","54","99","14005","14008","10.1039/c8cc07432a","","","0.71073","MoKα","","0.0673","0.0502","","","0.1098","0.1154","","","","","","1.123","","","","has coordinates","228162","2020-10-21","18:00:00",""
"7122654","6.2467","0.0006","7.3879","0.0008","33.6","0.003","90","","90","","90","","1550.6","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl Cs2 Ga3 Mn2 S7 -","- Cl Cs2 Ga3 Mn2 S7 -","- Cl4 Cs8 Ga12 Mn8 S28 -","4","0.5","","Zheng, Yu-Jun; Shi, Yong-Fang; Tian, Chong-Bin; Lin, Hua; Wu, Li-Ming; WU, XIN-TAO; Zhu, Qi-Long","An Unprecedented Pentanary Chalcohalide with the Mn Atoms in Two Chemical Environments: Unique Bonding Characteristics and Magnetic Properties","Chemical Communications","2018","","","","","10.1039/C8CC08380K","","","0.71073","MoKα","","0.0492","0.0381","","","0.0944","0.1","","","","","","1.092","","","","has coordinates","212232","2020-10-21","18:00:00",""
"7122680","7.6129","0.0009","9.9821","0.0011","17.5064","0.0019","90","","90","","90","","1330.4","0.3","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C4 N6 Zn -","- C4 N6 Zn -","- C32 N48 Zn8 -","8","1","","Yang, Xiya; Zhu, Pei-Pei; Ren, Jing; Chen, Yu-Hao; Li, Xiao; Sha, Jing-Quan; Jiang, Jianzhuang","Surfactant-assisted Synthesis and Electrochemical Properties of Unprecedented Polyoxometalate-constituting Metal-Organic Nanocaged Framework","Chemical Communications","2018","","","","","10.1039/C8CC08559E","","","0.71073","MoKα","","0.065","0.057","","","0.1604","0.1681","","","","","","1.061","","","","has coordinates","212283","2020-10-21","18:00:00",""
"7122977","16.531","0.003","32.295","0.007","7.0758","0.0014","90","","90","","90","","3777.5","1.3","100.01","0.1","100.01","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C41 H42 Br2 Cl2 -","- C41 H42 Br2 Cl2 -","- C164 H168 Br8 Cl8 -","4","0.5","","Yang, Yu-Dong; Gong, Han-Yuan","Heating Activated Isomeric All-hydrocarbon Molecular Receptors for Fullerene Separation","Chemical Communications","2019","","","","","10.1039/C8CC09911A","","","1.54184","CuKα","","0.1338","0.0995","","","0.2649","0.2957","","","","","","1.061","","","","has coordinates","213627","2020-10-21","18:00:00",""
"7123213","11.677","0.0004","16.163","0.0002","5.82445","0.00018","90","","90","","90","","1099.28","0.05","300","","300","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi2 O6 Sc2 -","- Bi2 O6 Sc2 -","- Bi16 O48 Sc16 -","8","1","","Khalyavin, Dmitry; Salak, Andrei; Frtman, Elena; Kotlyar, Oleksandr; Eardley, Edwin; Olekhnovich, N. M.; Pushkarev, Anatoli; Radyush, Yury; Fedorchenko, Alexey; Desnenko, Vladimir; Manuel, Pascal; Ding, Lei; Cizmar, Erik; Feher, Alexander","Phenomenon of Conversion Polymorphism in Bi-Containing Metastable Perovskites","Chemical Communications","2019","","","","","10.1039/C9CC00472F","powder diffraction","","","TOFNeutronDiffraction","","","","","","","","","5.7283","","","","","","","","has coordinates","214349","2020-10-21","18:00:00",""
"7123214","5.6605","0.0002","15.7832","0.0005","11.3751","0.0004","90","","90","","90","","1016.26","0.06","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi16 Fe11.2 O48 Sc4.8 -","- Bi16 Fe11.2 O48 Sc4.8 -","- Bi16 Fe11.2 O48 Sc4.8 -","1","0.125","","Khalyavin, Dmitry; Salak, Andrei; Frtman, Elena; Kotlyar, Oleksandr; Eardley, Edwin; Olekhnovich, N. M.; Pushkarev, Anatoli; Radyush, Yury; Fedorchenko, Alexey; Desnenko, Vladimir; Manuel, Pascal; Ding, Lei; Cizmar, Erik; Feher, Alexander","Phenomenon of Conversion Polymorphism in Bi-Containing Metastable Perovskites","Chemical Communications","2019","","","","","10.1039/C9CC00472F","powder diffraction","","","neutron","","","","","","","","","5.1535","","","","","","","","has coordinates","214350","2020-10-21","18:00:00",""
"7123302","12.1445","0.0009","14.1014","0.0012","7.3111","0.0005","90","","90","","90","","1252.06","0.17","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Mn N4 Ni O6 -","- C4 H12 Mn N4 Ni O6 -","- C16 H48 Mn4 N16 Ni4 O24 -","4","0.5","","Zhang, Wen-Da; Yan, Xiaodong; Li, Tao; Liu, Yong; Fu, Qiu-Ting; Gu, Zhi-Guo","Metal-organic layers derived metal hydroxide nanosheets for highly efficient oxygen evolution","Chemical Communications","2019","","","","","10.1039/C9CC01808E","","","0.71073","MoKα","","0.0634","0.0335","","","0.0582","0.066","","","","","","1.005","","","","has coordinates","214617","2020-10-21","18:00:00",""
"7123303","12.0628","0.0012","13.8833","0.0009","7.1686","0.0005","90","","90","","90","","1200.54","0.17","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Co N4 Ni O6 -","- C4 H12 Co N4 Ni O6 -","- C16 H48 Co4 N16 Ni4 O24 -","4","0.5","","Zhang, Wen-Da; Yan, Xiaodong; Li, Tao; Liu, Yong; Fu, Qiu-Ting; Gu, Zhi-Guo","Metal-organic layers derived metal hydroxide nanosheets for highly efficient oxygen evolution","Chemical Communications","2019","","","","","10.1039/C9CC01808E","","","0.71073","MoKα","","0.0563","0.0303","","","0.0505","0.0576","","","","","","1.042","","","","has coordinates","214617","2020-10-21","18:00:00",""
"7123304","7.548","0.0005","35.339","0.008","9.6434","0.0006","90","","90","","90","","2572.3","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H10 N3 O7 P Zn -","- C10 H10 N3 O7 P Zn -","- C80 H80 N24 O56 P8 Zn8 -","8","1","","Ma, Yu-Juan; Hu, Xiang Ji; Han, Song-De; Pan, Jie; Li, Jinhua; Wang, Guo-Ming","Photochromism and Photomagnetism in Crystalline Hybrid Materials Actuated by Nonphotochromic Units","Chemical Communications","2019","","","","","10.1039/C9CC02229E","","","0.71073","MoKα","","0.0665","0.0431","","","0.073","0.0806","","","","","","1.064","","","","has coordinates","214636","2020-10-21","18:00:00",""
"7123305","7.567","0.0005","36.064","0.002","9.6567","0.0006","90","","90","","90","","2635.3","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H10 Mn N3 O7 P -","- C10 H10 Mn N3 O7 P -","- C80 H80 Mn8 N24 O56 P8 -","8","1","","Ma, Yu-Juan; Hu, Xiang Ji; Han, Song-De; Pan, Jie; Li, Jinhua; Wang, Guo-Ming","Photochromism and Photomagnetism in Crystalline Hybrid Materials Actuated by Nonphotochromic Units","Chemical Communications","2019","","","","","10.1039/C9CC02229E","","","0.71073","MoKα","","0.0778","0.0575","","","0.1498","0.1652","","","","","","1.041","","","","has coordinates","214636","2020-10-21","18:00:00",""
"7123340","27.752","0.005","6.2922","0.0014","6.9744","0.0016","90","","90","","90","","1217.9","0.4","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C7 H9 N11 O3 -","- C7 H9 N11 O3 -","- C28 H36 N44 O12 -","4","0.5","","wang, qian; Shao, Yanli; Lu, Ming","Amino-tetrazole functionalized fused triazolo-triazine and tetrazolo-triazine energetic materials","Chemical Communications","2019","","","","","10.1039/C9CC01777A","","","0.71073","MoKα","","0.1279","0.0721","","","0.1555","0.1852","","","","","","1.06","","","","has coordinates,has disorder","214801","2020-10-21","18:00:00",""
"7123385","24.341","0.001","14.7167","0.0006","10.9529","0.0005","90","","90","","90","","3923.5","0.3","173","0.1","173","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C44 H59 Al N2 O -","- C44 H59 Al N2 O -","- C176 H236 Al4 N8 O4 -","4","0.5","","Kong, Richard Y.; Crimmin, Mark Richard","Reversible Insertion of CO into an Aluminium‒Carbon Bond","Chemical Communications","2019","","","","","10.1039/C9CC02818H","","x-ray","0.71073","MoKα","","0.0937","0.0644","","","0.1527","0.1703","","","","","","1.058","","","","has coordinates,has disorder","214902","2020-10-21","18:00:00",""
"7123405","25.6866","0.0004","31.2724","0.0005","11.2657","0.0002","90","","90","","90","","9049.5","0.3","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C90 H108 Cl4 F6 Mn N12 O8 Sb -","- C90 H108.686 Cl4 F6 Mn N12 O8 Sb -","- C360 H434.744 Cl16 F24 Mn4 N48 O32 Sb4 -","4","0.5","","McKearney, Declan; Zhou, Wen; Zellman, Carson; Williams, Vance E.; Leznoff, Daniel B.","Facile tuning of strong near-IR absorption wavelengths in manganese(iii) phthalocyanines via axial ligand exchange","Chemical Communications","2019","","","","","10.1039/C9CC02151E","","","1.54178","CuKα","","0.1229","0.0727","","","0.1605","0.1871","","","","","","1.044","","","","has coordinates,has disorder","214976","2020-10-21","18:00:00",""
"7123593","15.1734","0.0008","30.0131","0.0016","9.0791","0.0004","90","","90","","90","","4134.6","0.4","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H30 I9 N4 O4 Sb2 -","- C12 H30 I9 N4 O4 Sb2 -","- C48 H120 I36 N16 O16 Sb8 -","4","0.5","","Parmar, Swati; Pal, Shiv; Biswas, Abhijit; Gosavi, Suresh W.; Chakraborty, Sudip; Reddy, Mallu Chenna; Ogale, Satishchandra","Designing a new family of oxonium-cation based structurally diverse organic-inorganic hybrid iodoantimonate crystals","Chemical Communications","2019","","","","","10.1039/C9CC03485D","","","0.71073","MoKα","","0.0614","0.0356","","","0.0651","0.0707","","","","","","1.024","","","","has coordinates,has disorder","215690","2020-10-21","18:00:00",""
"7123594","15.6538","0.0005","28.4872","0.001","10.8182","0.0004","90","","90","","90","","4824.2","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H38 I9 N4 O4 Sb2 -","- C16 H38 I9 N4 O4 Sb2 -","- C64 H152 I36 N16 O16 Sb8 -","4","0.5","","Parmar, Swati; Pal, Shiv; Biswas, Abhijit; Gosavi, Suresh W.; Chakraborty, Sudip; Reddy, Mallu Chenna; Ogale, Satishchandra","Designing a new family of oxonium-cation based structurally diverse organic-inorganic hybrid iodoantimonate crystals","Chemical Communications","2019","","","","","10.1039/C9CC03485D","","","0.71073","MoKα","","0.0811","0.0427","","","0.0774","0.0851","","","","","","1.106","","","","has coordinates,has disorder","215690","2020-10-21","18:00:00",""
"7123759","12.2052","0.0006","8.7156","0.0004","15.4497","0.0007","90","","90","","90","","1643.47","0.13","373","2","373","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H20 Cl4 N2 O2 Zn -","- C6 H20 Cl4 N2 O2 Zn -","- C24 H80 Cl16 N8 O8 Zn4 -","4","0.5","","Yuan, Wei; Zeng, Ying; Tan, Ya-Yin; Zhou, Jianhua; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","A New Ferroelastic Hybrid Material with a Large Spontaneous Strain: (Me3NOH)2[ZnCl4]","Chemical Communications","2019","","","","","10.1039/C9CC03862K","","","1.54184","CuKα","","0.1167","0.1016","","","0.328","0.3609","","","","","","1.262","","","","has coordinates,has disorder","216679","2020-10-21","18:00:00",""
"7124078","11.5133","0.0001","9.1527","0.0001","6.6726","0.0001","90","","90","","90","","703.144","0.014","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","claringbullite","","- Cl Cu4 F O6 -","- Cl Cu4 F O6 -","- Cl4 Cu16 F4 O24 -","4","0.5","","Henderson, Alyssa May; Dong, Lianyang; Biswas, Sananda; Revell, Hannah; Xin, Yan; Valenti, Roser; Schlueter, John A.; Siegrist, Theo","Order-Disorder Transition in the S = ½ Kagome Antiferromagnets Claringbullite and Barlowite","Chemical Communications","2019","","","","","10.1039/C9CC04930D","","","0.41328","Synchrotron","","0.0943","0.0706","","0.0712","0.0694","0.0712","","","","","","1.0597","","","","has coordinates","217847","2020-10-21","18:00:00",""
"7124084","7.9396","0.001","19.416","0.002","11.7318","0.0011","90","","90","","90","","1808.5","0.3","100.93","","100.93","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Tetrabenzo[5,7]fulvalene","","- C28 H18 -","- C28 H18 -","- C112 H72 -","4","0.5","","Crocker, Reece Douglas; Zhang, Bolong; Pace, Domenic Paul; Wong, Wallace Wing Ho; Nguyen, Thanh Vinh","Tetrabenzo[5.7]Fulvalene: A Forgotten Aggregation Induced-Emission Luminogen","Chemical Communications","2019","","","","","10.1039/C9CC06289K","","","0.71073","MoKα","","0.0494","0.0386","","","0.0879","0.0952","","","","","","1.084","","","","has coordinates","217850","2020-10-21","18:00:00",""
"7124313","9.9007","0.0002","7.3274","0.0002","12.7965","0.0003","90","","90","","90","","928.34","0.04","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Be H12 I2 N4 -","- Be H12 I2 N4 -","- Be4 H48 I8 N16 -","4","0.5","","Müller, Matthias; Buchner, Magnus Richard","Preparation and Crystal Structures of the Beryllium Ammines [Be(NH3)4]X2 (X = Br, I, CN, SCN, N3) and Be(NH3)2X’2 (X’ = Cl, Br, I).","Chemical Communications","2019","","","","","10.1039/C9CC07712J","","","1.54178","CuKα","","0.0412","0.0407","","","0.1116","0.1123","","","","","","1.186","","","","has coordinates","219370","2020-10-21","18:00:00",""
"7124316","9.5332","0.0002","6.9355","0.0001","12.2289","0.0003","90","","90","","90","","808.54","0.03","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Tetramminberylliumbromide","","- Be Br2 H12 N4 -","- Be Br2 H12 N4 -","- Be4 Br8 H48 N16 -","4","0.5","","Müller, Matthias; Buchner, Magnus Richard","Preparation and Crystal Structures of the Beryllium Ammines [Be(NH3)4]X2 (X = Br, I, CN, SCN, N3) and Be(NH3)2X’2 (X’ = Cl, Br, I).","Chemical Communications","2019","","","","","10.1039/C9CC07712J","","","1.54178","CuKα","","0.0178","0.0175","","","0.045","0.0451","","","","","","1.19","","","","has coordinates","219370","2020-10-21","18:00:00",""
"7124694","23.9036","0.0008","21.2261","0.0006","18.0968","0.0004","90","","90","","90","","9182","0.5","293","2","293","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C64 H256 Co16 N64 Nb32 O205 S4 V39 -","- C64 H256 Co16 N64 Nb32 O205 S4 V39 -","- C64 H256 Co16 N64 Nb32 O205 S4 V39 -","1","0.125","","Hu, Ju-Fang; Han, Tian; Chi, Ying-Nan; Lin, Zheng-Guo; Xu, Yan-Qing; Yang, Song; Wei, Ding; Zheng, Yan-Zhen; Hu, Chang-Wen","Sulfur-centred polyoxoniobate-based 3D organic-inorganic hybrid compound and its magnetic behavior.","Chemical communications (Cambridge, England)","2016","52","72","10846","10849","10.1039/c6cc03915d","","","0.71073","MoKα","","0.1409","0.0996","","","0.2783","0.3177","","","","","","1.038","","","","has coordinates","234135","2020-10-21","18:00:00",""
"7124921","13.514","0.01","7.818","0.012","13.8","0.02","90","","90","","90","","1458","3","393","2","393","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 Cl5 N2 Sb -","- C5 H16 Cl5 N2 Sb -","- C20 H64 Cl20 N8 Sb4 -","4","0.5","","Mei, Guang-Quan; Zhang, Han-Yue; Liao, Wei-Qiang","A symmetry breaking phase transition-triggered high-temperature solid-state quadratic nonlinear optical switch coupled with a switchable dielectric constant in an organic-inorganic hybrid compound.","Chemical communications (Cambridge, England)","2016","52","74","11135","11138","10.1039/c6cc05512e","","","0.71073","MoKα","","0.0859","0.0637","","","0.1308","0.1439","","","","","","1.037","","","","has coordinates","234347","2020-10-21","18:00:00",""
"7125070","18.159","0.005","7.4484","0.0019","6.3101","0.0015","90","","90","","90","","853.5","0.4","115.05","","115.05","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C5 H12 O P2 -","- C5 H12 O P2 -","- C20 H48 O4 P8 -","4","0.5","","Jost, Maximilian; Finger, Lars H.; Sundermeyer, Jörg; von Hänisch, Carsten","Simple access to ionic liquids and organic salts containing the phosphaethynolate (PCO(-)) and Zintl (Sb11(3-)) anions.","Chemical communications (Cambridge, England)","2016","52","78","11646","11648","10.1039/c6cc06620h","","x-ray","0.71073","MoKα","","0.0857","0.046","","","0.0756","0.09","","","","","","1.009","","","","has coordinates,has disorder","234486","2020-10-21","18:00:00",""
"7125165","5.8071","0.0004","27.443","0.002","12.2554","0.0008","90","","90","","90","","1953.1","0.2","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C24 H25 I -","- C24 H25 I -","- C96 H100 I4 -","4","0.5","","Sharpe, Helen R.; Geer, Ana M.; Williams, Huw E. L.; Blundell, Toby J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Cyclotrimerisation of isocyanates catalysed by low-coordinate Mn(ii) and Fe(ii) m-terphenyl complexes.","Chemical communications (Cambridge, England)","2017","53","5","937","940","10.1039/c6cc07243g","","x-ray","1.54184","CuKα","","0.0534","0.0471","","","0.122","0.1261","","","","","","1.131","","","","has coordinates","234567","2020-10-21","18:00:00",""
"7125434","15.8519","0.0008","24.1231","0.0013","14.0794","0.0007","90","","90","","90","","5383.9","0.5","150","0.1","150","0.1","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C43 H54 B3 Cl4 F4 N13 O5 W2 -","- C43 H52 B3 Cl4 F4 N13 O5 W2 -","- C172 H208 B12 Cl16 F16 N52 O20 W8 -","4","0.5","","Hill, Anthony; Frogley, Benjamin","Synthesis of pyridyl carbyne complexes and their conversion to N-heterocyclic vinylidenes","Chemical Communications","2019","","","","","10.1039/C9CC07760J","","","0.71073","MoKα","","0.063","0.0401","","","0.0825","0.0917","","","","","","1.021","","","","has coordinates,has disorder","243756","2020-10-21","18:00:00",""
"7125618","13.623","0.005","14.768","0.005","20.118","0.007","90","","90","","90","","4047","2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C38 H50 Cu F6 N4 Sb -","- C38 H50 Cu F6 N4 Sb -","- C152 H200 Cu4 F24 N16 Sb4 -","4","0.5","","Parvin, Nasrina; Hossain, Jabed; George, Anjana; Parameswaran, Pattiyil; Khan, Shabana","N-heterocyclic silylene stabilized monocordinated copper(i)-arene cationic complexes and their application in click chemistry.","Chemical communications (Cambridge, England)","2019","56","2","273","276","10.1039/c9cc09115g","","","0.71073","MoKα","","0.0787","0.0394","","","0.0588","0.0712","","","","","","1.001","","","","has coordinates","247593","2020-10-21","18:00:00",""
"7125754","9.5555","0.0002","24.2364","0.0007","21.3888","0.0006","90","","90","","90","","4953.5","0.2","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H20 N4 Ni -","- C19 H20 N4 Ni -","- C228 H240 N48 Ni12 -","12","1.5","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0473","0.0403","","","0.1147","0.1201","","","","","","1.123","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7126297","10.3494","0.0006","8.4866","0.0005","14.9745","0.0008","90","","90","","90","","1315.23","0.13","324.99","0.1","324.99","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","0.5","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54184","CuKα","","0.0543","0.0531","","","0.1445","0.147","","","","","","1.034","","","","has coordinates,has disorder","252690","2020-10-21","18:00:00",""
"7126298","10.4242","0.001","8.5078","0.0008","15.0275","0.0014","90","","90","","90","","1332.7","0.2","384.99","0.1","384.99","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","0.5","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54184","CuKα","","0.0903","0.0673","","","0.1806","0.244","","","","","","1.179","","","","has coordinates,has disorder","252690","2020-10-21","18:00:00",""
"7126299","10.3262","0.0004","8.4855","0.0003","14.9627","0.0005","90","","90","","90","","1311.08","0.08","304.99","0.1","304.99","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","0.5","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54184","CuKα","","0.05","0.0489","","","0.1338","0.1358","","","","","","1.036","","","","has coordinates,has disorder","252690","2020-10-21","18:00:00",""
"7126302","10.3809","0.0008","8.4936","0.0007","14.9835","0.0009","90","","90","","90","","1321.11","0.17","344.98","0.1","344.98","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","0.5","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54184","CuKα","","0.0668","0.0638","","","0.1839","0.1885","","","","","","1.106","","","","has coordinates,has disorder","252690","2020-10-21","18:00:00",""
"7126304","10.3982","0.0008","8.5036","0.0007","15.0131","0.0011","90","","90","","90","","1327.49","0.18","364.98","0.1","364.98","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","0.5","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54184","CuKα","","0.0694","0.0621","","","0.1702","0.1846","","","","","","1.11","","","","has coordinates,has disorder","252690","2020-10-21","18:00:00",""
"7126307","9.9477","0.0005","7.5082","0.0005","16.9603","0.0006","90","","90","","90","","1266.75","0.11","297","2","297.05","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H10 N3 O2 -","- C12 H17 N3 O2 -","- C48 H68 N12 O8 -","4","0.5","","Deka, Jugal Kishore Rai; Sahariah, Biswajit; Baruah, Kalpita; Bar, Arun Kumar; Sarma, Bani Kanta","Conformational control of N-methyl-N,N'-diacylhydrazines by noncovalent carbon bonding in solution.","Chemical communications (Cambridge, England)","2020","56","36","4874","4877","10.1039/d0cc00943a","","","0.71073","MoKα","","0.0738","0.0527","","","0.1345","0.1534","","","","","","1.087","","","","has coordinates,has disorder","252717","2020-10-21","18:00:00",""
"7126542","10.6954","0.0006","10.2783","0.0006","18.0417","0.0009","90","","90","","90","","1983.33","0.19","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C17 H23.25 B10 N -","- C17 H20 B10 N -","- C68 H80 B40 N4 -","4","0.5","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","Ir-catalyzed selective dehydrogenative cross-coupling of aryls with o-carboranes via a mixed directing-group strategy.","Chemical communications (Cambridge, England)","2020","56","51","7001","7004","10.1039/d0cc02531c","","","0.71073","MoKα","","0.0941","0.0797","","","0.2376","0.2543","","","","","","1.096","","","","has coordinates","253776","2020-10-21","18:00:00",""
"7126658","8.571","0.0017","6.972","0.0014","21.017","0.004","90","","90","","90","","1255.9","0.4","119.98","0.1","119.98","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H15 F3 N2 O3 S -","- C9 H15 F3 N2 O3 S -","- C36 H60 F12 N8 O12 S4 -","4","0.5","","Mandal, Debdeep; Stein, Felix; Chandra, Shubhadeep; Neuman, Nicolás I; Sarkar, Pallavi; Das, Shubhajit; Kundu, Abhinanda; Sarkar, Arighna; Rawat, Hemant; Pati, Swapan K.; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Trisubstituted geminal diazaalkene derived transient 1,2-carbodications.","Chemical communications (Cambridge, England)","2020","56","59","8233","8236","10.1039/d0cc02807j","","x-ray","0.71073","MoKα","","0.0491","0.0441","","","0.1276","0.131","","","","","","1.067","","","","has coordinates","254911","2020-10-21","18:00:00",""
"7126717","26.6432","0.001","6.8628","0.0005","7.9989","0.0003","90","","90","","90","","1462.57","0.13","120","","120","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H16 B N2 O2.25 -","- C14 H16 B N2 O2.25 -","- C56 H64 B4 N8 O9 -","4","0.5","","Mulholland, Katie D.; Yoon, Sangbin; Rennie, Christopher C.; Sitch, Eleanor K.; McKay, Alasdair I.; Edkins, Katharina; Edkins, Robert M.","Iridium-catalysed 3,5-bis-borylation of phthalonitrile enables access to a family of C<sub>4h</sub> octaarylphthalocyanines.","Chemical communications (Cambridge, England)","2020","56","60","8452","8455","10.1039/d0cc03161e","","x-ray","0.71073","MoKα","","0.0968","0.0749","","","0.1924","0.2123","","","","","","1.052","","","","has coordinates,has disorder","254894","2020-10-21","18:00:00",""
"7126867","36.191","0.009","23.761","0.006","15.011","0.004","90","","90","","90","","12908","6","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C73 H133 F8 N O29 Tb6 -","- C73 H133 F8 N O29 Tb6 -","- C292 H532 F32 N4 O116 Tb24 -","4","0.5","","Ling, Bo-Kai; Li, Junhao; Zhai, Yuan-Qi; Hsu, Hung-Kai; Chan, Yi-Tsu; Chen, Wei-Peng; Han, Tian; Zheng, Yan-Zhen","Terbium-fluorido cluster: an energy cage for photoluminescence.","Chemical communications (Cambridge, England)","2020","56","64","9130","9133","10.1039/d0cc02898c","","x-ray","0.71073","MoKα","","0.1386","0.098","","","0.2307","0.2646","","","","","","1.092","","","","has coordinates,has disorder","255966","2020-10-21","18:00:00",""
"7126961","8.5108","0.0005","7.1691","0.0004","21.9711","0.0011","90","","90","","90","","1340.56","0.13","103.68","","103.68","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Hexabromocyclopentadien","","- C7 H3 Br6 N -","- C7 H3 Br6 N -","- C28 H12 Br24 N4 -","4","0.5","","Rupf, Susanne Margot; Pröhm, Patrick; Malischewski, Moritz","The [2+2] cycloaddition product of perhalogenated cyclopentadienyl cations: structural characterization of salts of the [C<sub>10</sub>Cl<sub>10</sub>]<sup>2+</sup> and [C<sub>10</sub>Br<sub>10</sub>]<sup>2+</sup> dications.","Chemical communications (Cambridge, England)","2020","56","68","9834","9837","10.1039/d0cc04226a","","","0.71073","MoKα","","0.0491","0.0474","","","0.138","0.1392","","","","","","1.08","","","","has coordinates,has disorder","256016","2020-10-21","18:00:00",""
"7126996","23.348","0.007","13.355","0.004","12.292","0.004","90","","90","","90","","3833","2","100","2","100","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C35 H37 Cl6.39 N5 O2 Ru Sb -","- C35 H37 Cl6.3902 N5 O2 Ru Sb -","- C140 H148 Cl25.5608 N20 O8 Ru4 Sb4 -","4","0.5","","Park, Sungho V.; Fry, Charles G.; Bill, Eckhard; Berry, John F.","A metastable Ru<sup>III</sup> azido complex with metallo-Staudinger reactivity.","Chemical communications (Cambridge, England)","2020","56","73","10738","10741","10.1039/d0cc04426a","","x-ray","0.71073","MoKα","","0.048","0.041","","","0.0919","0.0955","","","","","","1.159","","","","has coordinates,has disorder","257232","2020-10-21","18:00:00",""
"7127159","13.3555","0.0003","31.172","0.0007","11.7335","0.0003","90","","90","","90","","4884.9","0.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C44 H50 B2 F12 S2 Si4 -","- C44 H50 B2 F12 S2 Si4 -","- C176 H200 B8 F48 S8 Si16 -","4","0.5","","Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Using the FpXylBH<sub>2</sub>•SMe<sub>2</sub> reagent for the regioselective synthesis of cyclic bis(alkenyl)boranes.","Chemical communications (Cambridge, England)","2020","56","81","12178","12181","10.1039/d0cc05230b","","","1.54178","CuKα","","0.0521","0.0413","","","0.0975","0.1035","","","","","","1.056","","","","has coordinates","260619","2021-01-07","04:35:39",""
"7127283","8.4713","0.0004","13.2354","0.0007","12.3156","0.0006","90","","90","","90","","1380.84","0.12","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C5 H18 B10 S2 -","- C5 H18 B10 S2 -","- C20 H72 B40 S8 -","4","0.5","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2020","56","85","12997","13000","10.1039/d0cc05207h","","","0.71073","MoKα","","0.0425","0.0378","","","0.1125","0.1179","","","","","","1.098","","","","has coordinates","260669","2021-01-07","04:48:52",""
"7127853","12.8815","0.0003","14.9476","0.0004","26.9853","0.0007","90","","90","","90","","5196","0.2","300","2","299.68","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H56 Au Cl4 N20 O13 -","- C40 H56 Au Cl4 N20 O13 -","- C160 H224 Au4 Cl16 N80 O52 -","4","0.5","","Song, Xianmeng; Cao, Minna; Chen, Ruru; Wang, Huimin; Li, Hongfang; Cao, Rong","Enhanced selectivity and stability towards CO<sub>2</sub> reduction of sub-5 nm Au NPs derived from supramolecular assembly.","Chemical communications (Cambridge, England)","2021","57","20","2491","2494","10.1039/d0cc08353d","","","0.71073","MoKα","","0.0613","0.0447","","","0.137","0.1509","","","","","","1.044","","","","has coordinates","263644","2021-04-05","14:01:30",""
"7128114","8.206","0.0008","6.9192","0.0006","22.42","0.002","90","","90","","90","","1273","0.2","190","2","190","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H13 F O2 -","- C15 H13 F O2 -","- C60 H52 F4 O8 -","4","0.5","","Wu, Qiuzi; Mao, Yang-Jie; Zhou, Kun; Wang, Shuang; Chen, Lei; Xu, Zhen-Yuan; Lou, Shao-Jie; Xu, Dan-Qian","Pd-Catalysed direct C(sp<sup>2</sup>)-H fluorination of aromatic ketones: concise access to anacetrapib.","Chemical communications (Cambridge, England)","2021","57","37","4544","4547","10.1039/d1cc01047f","","","0.71073","MoKα","","0.0616","0.0429","","","0.114","0.1351","","","","","","1.044","","","","has coordinates","265843","2021-06-05","17:18:07",""
"7128301","7.7592","0.0002","11.1022","0.0003","14.1866","0.0004","90","","90","","90","","1222.09","0.06","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C1.5 H4.5 I1.5 O0.5 Pb0.5 S0.5 -","- C1.5 H4.5 I1.5 O0.5 Pb0.5 S0.5 -","- C12 H36 I12 O4 Pb4 S4 -","8","1","","Tanaka, Yuki; Bai, Shiqiang; Wang, Xizu; Tee, Si Yin; Lim, Siew Lay; Ke, Lin; Dolmanan, Surani B.; Lee, Coryl Jing Jun; Lim, Poh Chong; Yao, Xiang; Wu, Jishan; Han, Ming-Yong","Synthesis and optical and electronic properties of one-dimensional sulfoxonium-based hybrid metal halide (CH<sub>3</sub>)<sub>3</sub>SOPbI<sub>3</sub>.","Chemical communications (Cambridge, England)","2021","57","47","5790","5793","10.1039/d1cc01386f","","","0.71073","MoKα","","0.026","0.0225","","","0.0458","0.0471","","","","","","1.155","","","","has coordinates","267028","2021-07-05","16:19:24",""
"7128309","31.0554","0.001","17.2141","0.0004","13.6117","0.0003","90","","90","","90","","7276.7","0.3","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C72 H102 Al7 As5 -","- C72 H102 Al7 As5 -","- C288 H408 Al28 As20 -","4","0.5","","Hauser, Adrian; Münzfeld, Luca; Roesky, Peter W.","Reactivity of mono- and divalent aluminium compounds towards group 15 nanoparticles.","Chemical communications (Cambridge, England)","2021","57","45","5503","5506","10.1039/d1cc01475g","","x-ray","0.71073","MoKα","","0.0556","0.0337","","","0.0652","0.0722","","","","","","1.023","","","","has coordinates,has disorder","265900","2021-06-05","17:32:54",""
"7128411","12.5529","0.0007","6.608","0.0005","19.3655","0.0012","90","","90","","90","","1606.36","0.18","149.99","0.1","149.99","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H10 Br2 O4 -","- C18 H10 Br2 O4 -","- C72 H40 Br8 O16 -","4","0.5","","Zhang, Min; He, Xue-Wen; Xiong, Ya; Zuo, Xiong; Zhou, Wei; Liu, Xiong-Li","Asymmetric construction of six vicinal stereogenic centers on hexahydroxanthones <i>via</i> organocatalytic one-pot reactions.","Chemical communications (Cambridge, England)","2021","57","55","6764","6767","10.1039/d1cc02570h","","x-ray","1.54184","CuKα","","0.1041","0.0995","","","0.2587","0.2644","","","","","","1.097","","","","has coordinates","268513","2021-09-06","09:03:52",""
"7128513","12.4956","0.00018","21.1248","0.0005","16.7633","0.0003","90","","90","","90","","4424.96","0.15","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C77 H13 O2 S4 -","- C77 H13 O2 S4 -","- C308 H52 O8 S16 -","4","0.5","","Lu, Wen-Qiang; Zhou, Dian-Bing; Yin, Zheng-Chun; Liu, Qing-Song; Wang, Guan-Wu","A copper-promoted synthesis of epoxy-bridged [60]fullerene-fused lactones and further derivatization.","Chemical communications (Cambridge, England)","2021","57","57","7043","7046","10.1039/d1cc02669k","","x-ray","1.54184","CuKα","","0.0748","0.0659","","","0.1622","0.1692","","","","","","1.086","","","","has coordinates","268545","2021-09-06","09:12:46",""
"7128539","8.417","0.004","11.396","0.005","23.622","0.01","90","","90","","90","","2265.8","1.8","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H32 Br Cr N O9 -","- C14 H32 Br Cr N O9 -","- C56 H128 Br4 Cr4 N4 O36 -","4","0.5","","Zhou, Xun-Hui; Zeng, Ying; Tang, Shao-Bin; Yu, Zi-Ru; Cao, Li-Ming; Du, Zi-Yi; He, Chun-Ting","Solid solutions of flexible host-guest supramolecules for tuning molecular motion and phase transitions.","Chemical communications (Cambridge, England)","2021","57","59","7292","7295","10.1039/d1cc02061g","","","0.71073","MoKα","","0.0872","0.0569","","","0.1587","0.1825","","","","","","1.031","","","","has coordinates,has disorder","268581","2021-09-06","09:33:03",""
"7128544","11.2665","0.0004","7.248","0.0003","15.249","0.0006","90","","90","","90","","1245.23","0.08","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H12 Au2 Cu N8 -","- C4 H12 Au2 Cu N8 -","- C16 H48 Au8 Cu4 N32 -","4","0.5","","Priola, Emanuele; Mahmoudi, Ghodrat; Andreo, Jacopo; Frontera, Antonio","Unprecedented [d<sup>9</sup>]Cu[d<sup>10</sup>]Au coinage bonding interactions in {Cu(NH<sub>3</sub>)<sub>4</sub>[Au(CN)<sub>2</sub>]}<sup>+</sup>[Au(CN)<sub>2</sub>]<sup>-</sup> salt.","Chemical communications (Cambridge, England)","2021","57","59","7268","7271","10.1039/d1cc02709c","","x-ray","0.71073","MoKα","","0.0348","0.0299","","","0.0787","0.0815","","","","","","1.0224","","","","has coordinates","268583","2021-09-06","09:33:43",""
"7128632","16.6514","0.0015","15.0366","0.0013","11.0355","0.001","90","","90","","90","","2763.1","0.4","136","2","136","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H46 Al La O -","- C27 H46 Al La O -","- C108 H184 Al4 La4 O4 -","4","0.5","","Bonath, Martin; Birkelbach, Verena M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth-metallocene alkylaluminates trigger distinct tetrahydrofuran activation.","Chemical communications (Cambridge, England)","2021","57","64","7918","7921","10.1039/d1cc03024h","","","0.71073","MoKα","","0.0289","0.025","","","0.0576","0.0596","","","","","","1.055","","","","has coordinates,has disorder","268538","2021-09-06","09:10:49",""
"7128656","16.14","0.003","7.02","0.0014","12.55","0.003","90","","90","","90","","1422","0.5","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H20 O2 Si -","- C15 H20 O2 Si -","- C60 H80 O8 Si4 -","4","0.5","","Priebbenow, Daniel L.; Hua, Carol","Acyl silane directed Cp*Rh(III)-catalysed alkylation/annulation reactions.","Chemical communications (Cambridge, England)","2021","57","64","7938","7941","10.1039/d1cc03051e","","","0.71073","MoKα","","0.0585","0.0464","","","0.148","0.2006","","","","","","1.091","","","","has coordinates,has disorder","268537","2021-09-06","09:10:34",""
"7128799","12.5443","0.0006","7.1138","0.0004","10.9392","0.0007","90","","90","","90","","976.19","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H9 B F2 O2 -","- C10 H9 B F2 O2 -","- C40 H36 B4 F8 O8 -","4","0.5","","Li, Junbo; Wang, Xuepu; Pan, Yingtong; Sun, Yan; Wang, Guangming; Zhang, Kaka","Unexpected long room-temperature phosphorescence lifetimes of up to 1.0 s observed in iodinated molecular systems.","Chemical communications (Cambridge, England)","2021","57","70","8794","8797","10.1039/d1cc04094d","","","0.71073","MoKα","","0.0471","0.0384","","","0.1064","0.1162","","","","","","1.069","","","","has coordinates","268504","2021-09-06","09:02:19",""
"7129058","14.9047","0.0003","37.0591","0.001","12.6785","0.0003","90","","90","","90","","7003","0.3","90","0.5","90","0.5","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C72 H48 -","- C72 H48 -","- C288 H192 -","4","0.5","","Zhou, Xin; Kwon, Hyejin; Thompson, Richard R.; Herman, Robert J.; Fronczek, Frank R.; Bruns, Carson J.; Lee, Semin","Scalable synthesis of [8]cycloparaphenyleneacetylene carbon nanohoop using alkyne metathesis.","Chemical communications (Cambridge, England)","2021","57","83","10887","10890","10.1039/d1cc04776k","","","1.54184","CuKα","","0.072","0.0561","","","0.1496","0.1597","","","","","","1.045","","","","has coordinates,has disorder","270405","2021-11-06","19:02:55",""
"7129197","15.63118","0.00007","23.44856","0.0001","14.12898","0.00008","90","","90","","90","","5178.68","0.04","85","2","85","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C59 H62 B Ir N3 O4 P2 -","- C59 H62 B Ir N3 O4 P2 -","- C236 H248 B4 Ir4 N12 O16 P8 -","4","0.5","","Shanahan, J. P.; Moore, C. M.; Kampf, Jeff W.; Szymczak, N. K.","Modulation of H<sup>+</sup>/H<sup>-</sup> exchange in iridium-hydride 2-hydroxypyridine complexes by remote Lewis acids.","Chemical communications (Cambridge, England)","2021","57","88","11705","11708","10.1039/d1cc04778g","","","1.54184","CuKα","","0.0357","0.0355","","","0.092","0.0921","","","","","","1.06","","","","has coordinates,has disorder","270302","2021-11-04","14:36:32",""
"7129337","23.915","0.005","25.14","0.004","13.047","0.003","90","","90","","90","","7844","3","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C79 H24 Ag B22 Cl18 N -","- C79 H24 Ag B22 Cl18 N -","- C316 H96 Ag4 B88 Cl72 N4 -","4","0.5","","Chambers, Luke I.; Yufit, Dimitrii S.; Fox, Mark A.; Musa, Osama; Steed, Jonathan W.","Structure and hydration of polyvinylpyrrolidone-hydrogen peroxide","Chemical Communications","2021","","","","","10.1039/D1CC06047C","","","0.71073","MoKα","","0.0973","0.0693","","","0.1851","0.2146","","","","","","1.029","","","","has coordinates,has disorder","270966","2021-12-01","23:02:12",""
"7129422","22.646","0.002","12.3273","0.0011","8.5158","0.0007","90","","90","","90","","2377.3","0.4","100","2","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H28 B2 Br2 Cl4 N6 -","- C16 H28 B2 Br2 Cl4 N6 -","- C64 H112 B8 Br8 Cl16 N24 -","4","0.5","","Vogler, Daniel; Haas, Lea; Wolf, Nina; Kaifer, Elisabeth; Himmel, Hans-Jörg","Derivatization of an especially electron-rich diborane","Chemical Communications","2022","","","","","10.1039/D1CC06359F","","x-ray","0.71073","MoKα","","0.0475","0.0324","","","0.0608","0.0668","","","","","","1.063","","","","has coordinates","271516","2021-12-18","22:54:48",""
"7129439","14.0962","0.0005","22.0046","0.0008","17.7241","0.0007","90","","90","","90","","5497.7","0.4","100","2","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H92 Ho3 O14 U -","- C40 H92 Ho3 O14 U -","- C160 H368 Ho12 O56 U4 -","4","0.5","","Grödler, Dennis; Weidemann, Martin L.; Lichtenberg, Andreas; Greven, Tobias; Nickstadt, Robin; Haydo, Malek; Wickleder, Mathias; Klein, Axel; Johrendt, Dirk; Mathur, Sanjay; Zegke, Markus; Raauf, Aida","Heterobimetallic uranyl(vi) alkoxides of lanthanoids: formation through simple ligand exchange","Chemical Communications","2022","","","","","10.1039/D1CC05444A","","","0.71073","MoKα","","0.0247","0.0226","","","0.0541","0.0557","","","","","","1.103","","","","has coordinates,has disorder","271561","2021-12-21","22:56:06",""
"7129441","14.1829","0.0011","21.6096","0.0013","17.8158","0.0015","90","","90","","90","","5460.3","0.7","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H92 Cl Ho3 O13 U -","- C40 H91.5 Cl Ho3 O13 U -","- C160 H366 Cl4 Ho12 O52 U4 -","4","0.5","","Grödler, Dennis; Weidemann, Martin L.; Lichtenberg, Andreas; Greven, Tobias; Nickstadt, Robin; Haydo, Malek; Wickleder, Mathias; Klein, Axel; Johrendt, Dirk; Mathur, Sanjay; Zegke, Markus; Raauf, Aida","Heterobimetallic uranyl(vi) alkoxides of lanthanoids: formation through simple ligand exchange","Chemical Communications","2022","","","","","10.1039/D1CC05444A","","","0.71073","MoKα","","0.0559","0.0362","","","0.0896","0.1044","","","","","","1.111","","","","has coordinates,has disorder","271561","2021-12-21","22:56:07",""
"7129445","14.2375","0.0008","21.626","0.0013","17.8051","0.0008","90","","90","","90","","5482.2","0.5","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H91 Cl Dy3 O13 U -","- C40 H91 Cl Dy3 O13 U -","- C160 H364 Cl4 Dy12 O52 U4 -","4","0.5","","Grödler, Dennis; Weidemann, Martin L.; Lichtenberg, Andreas; Greven, Tobias; Nickstadt, Robin; Haydo, Malek; Wickleder, Mathias; Klein, Axel; Johrendt, Dirk; Mathur, Sanjay; Zegke, Markus; Raauf, Aida","Heterobimetallic uranyl(vi) alkoxides of lanthanoids: formation through simple ligand exchange","Chemical Communications","2022","","","","","10.1039/D1CC05444A","","","0.71073","MoKα","","0.0348","0.023","","","0.0471","0.0506","","","","","","1.027","","","","has coordinates,has disorder","271561","2021-12-21","22:56:07",""
"7129523","14.837","0.002","6.5021","0.001","10.2026","0.0015","90","","90","","90","","984.3","0.2","393","2","393","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Cl3 Mn N O -","- C4 H12 Cl3 Mn N O -","- C16 H48 Cl12 Mn4 N4 O4 -","4","0.5","","Hua, Xiu-Ni; Zhang, Wan-Ying; Shi, Ping-Ping","Two-step nonlinear optical switch in a hydrogen-bonded perovskite-type crystal","Chemical Communications","2022","","","","","10.1039/D1CC06306E","","","0.71073","MoKα","","0.0638","0.0442","","","0.1128","0.1194","","","","","","1.096","","","","has coordinates,has disorder","271945","2022-01-07","22:53:24",""
"7129596","16.61817","0.00014","25.11861","0.00017","8.47933","0.00006","90","","90","","90","","3539.49","0.05","99.99","0.11","99.99","0.11","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C42 H53 B -","- C42 H53 B -","- C168 H212 B4 -","4","0.5","","Sindlinger, Marvin; Ströbele, Markus; Maichle-Mössmer, Cäcilia; Bettinger, Holger F.","Kinetic stabilization allows structural analysis of a benzoborirene","Chemical Communications","2022","","","","","10.1039/D1CC06588B","","x-ray","1.54184","CuKα","","0.0506","0.0439","","","0.1118","0.1167","","","","","","1.024","","","","has coordinates","272161","2022-01-20","22:48:47",""
"7129659","10.9501","0.0004","21.9386","0.0008","25.0173","0.0009","90","","90","","90","","6009.9","0.4","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C68 H80 N8 O4 -","- C68 H79.5 N8 O4 -","- C272 H318 N32 O16 -","4","0.5","","Fong, Angela; Cambell, Cameron; Huynh, Silvia; McCormick McPherson, Laura J.; Teat, Simon; Bebbington, Magnus W. P.; Dalgarno, Scott","Facile Synthetic Routes to Bridge-Functionalised Calix[4]arenes","Chemical Communications","2022","","","","","10.1039/D1CC06889J","","","0.7288","Synchrotron","","0.0713","0.0615","","","0.1833","0.1953","","","","","","1.029","","","","has coordinates,has disorder","272499","2022-02-03","22:56:29",""
"7129765","16.517","0.01","20.453","0.009","8.264","0.003","90","","90","","90","","2792","2","100","2","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H42 B Br N2 O2 -","- C28 H42 B Br N2 O2 -","- C112 H168 B4 Br4 N8 O8 -","4","0.5","","Kundu, Gargi; Ajithkumar, V. S.; Raj, K. Vipin; Vanka, Kumar; Tothadi, Srinu; Sen, Sakya S.","Substitution at sp3 boron of a six-membered NHC·BH3: convenient access to a dihydroxyborenium cation","Chemical Communications","2022","","","","","10.1039/D1CC06816D","","","0.71073","MoKα","","0.0795","0.0412","","","0.0855","0.1063","","","","","","1.071","","","","has coordinates","273192","2022-03-01","22:56:59",""
"7129770","12.325","0.003","20.525","0.005","10.92","0.003","90","","90","","90","","2762.4","1.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H40 B N2 O4 -","- C28 H40 B N2 O4 -","- C112 H160 B4 N8 O16 -","4","0.5","","Kundu, Gargi; Ajithkumar, V. S.; Raj, K. Vipin; Vanka, Kumar; Tothadi, Srinu; Sen, Sakya S.","Substitution at sp3 boron of a six-membered NHC·BH3: convenient access to a dihydroxyborenium cation","Chemical Communications","2022","","","","","10.1039/D1CC06816D","","","0.71073","MoKα","","0.1463","0.0979","","","0.2878","0.3238","","","","","","1.11","","","","has coordinates","273192","2022-03-01","22:57:00",""
"7129809","14.3876","0.0007","12.6862","0.0006","7.563","0.0004","90","","90","","90","","1380.43","0.12","230","2","230","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C11 H9 I N2 S2 Zn -","- C11 H9 I N2 S2 Zn -","- C44 H36 I4 N8 S8 Zn4 -","4","0.5","","Shlian, Daniel G.; Amemiya, Erika; Parkin, Gerard","Synthesis of bis(2-pyridylthio)methyl zinc hydride and catalytic hydrosilylation and hydroboration of CO2","Chemical Communications","2022","","","","","10.1039/D1CC06963B","","","0.71073","MoKα","","0.0367","0.0273","","","0.0618","0.0656","","","","","","1.045","","","","has coordinates","273620","2022-03-10","23:02:20",""
"7129996","22.5148","0.0004","20.0029","0.0003","15.83572","0.00019","90","","90","","90","","7131.8","0.19","100","0.1","100","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C63.17 H94.09 N0.42 O19.59 P V6 -","- C63.168 H94.088 N0.416 O19.584 P V6 -","- C252.672 H376.352 N1.664 O78.336 P4 V24 -","4","0.5","","Fertig, Alex A.; Cooney, Shannon E.; Meyer, Rachel L.; Brennessel, William W.; Matson, Ellen","Mechanistic Insight into Rapid Oxygen-Atom Transfer from a Calix-Functionalized Polyoxovanadate","Chemical Communications","2022","","","","","10.1039/D2CC01228F","","x-ray","1.54184","CuKα","","0.0627","0.0587","","","0.1453","0.1475","","","","","","1.093","","","","has coordinates,has disorder","274602","2022-04-20","21:54:04",""
"7130114","21.3426","0.0007","13.8099","0.0005","11.646","0.0003","90","","90","","90","","3432.53","0.19","173.15","","173.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C40 H58 N2 -","- C40 H58 N2 -","- C160 H232 N8 -","4","0.5","","Puerta Lombardi, Braulio M.; Pezoulas, Ethan R.; Suvinen, Roope A.; Harrison, Alexander; Dubrawski, Zachary S.; Gelfand, Benjamin S.; Tuononen, Heikki M.; Roesler, Roland","Bis[cyclic (alkyl)(amino)carbene] isomers: Stable trans-bis(CAAC) versus facile olefin formation for cis-bis(CAAC)","Chemical Communications","2022","","","","","10.1039/D2CC01476A","","","1.54178","CuKα","","0.1194","0.0867","","","0.2422","0.2676","","","","","","1.047","","","","has coordinates,has disorder","275522","2022-05-18","21:56:47",""
"7130213","14.5039","0.0011","10.7587","0.0009","14.0722","0.0011","90","","90","","90","","2195.9","0.3","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C29 H27 N Se -","- C29 H27 N Se -","- C116 H108 N4 Se4 -","4","0.5","","Serrato, Melinda; Mohand, Melaimi; Bertrand, Guy","Cyclic (amino)(barrelene)carbenes: An original family of CAACs through a Novel Synthetic Pathway","Chemical Communications","2022","","","","","10.1039/D2CC02565E","","x-ray","0.71073","MoKα","","0.046","0.0418","","","0.1172","0.1211","","","","","","1.064","","","","has coordinates,has disorder","275941","2022-06-09","21:55:06",""
"7130716","37.4678","0.0017","28.5413","0.001","20.4155","0.0008","90","","90","","90","","21831.9","1.5","173","2","173.02","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C132 H206 N13 Na7 O110 P14 V18 W4 -","- C92 H66 Na7 O96 P14 V18 W4 -","- C368 H264 Na28 O384 P56 V72 W16 -","4","0.5","","Zhang, Ting; Hou, Yuhan; Hou, Baoshan; Zhao, Liang; Wang, Xinlong; Qin, Chao; Su, Zhongmin","High-nuclear polyoxovanadates assembled from pentagonal building blocks","Chemical Communications","2022","","","","","10.1039/D2CC04436F","","x-ray","1.54178","CuKα","K-L~3~","0.1405","0.0988","","","0.2526","0.2844","","","","","","1.046","","","","has coordinates,has disorder","277897","2022-09-15","21:56:08",""
"7130768","11.677","0.003","9.403","0.002","12.794","0.003","90","","90","","90","","1404.8","0.6","200","","200","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- P3 Sr3 Zn -","- P3 Sr3 Zn -","- P24 Sr24 Zn8 -","8","1","","Rkein, Batoul; Coffinier, Romain; Powderly, Marian; Manneveau, Maxime; Sanselme, Morgane; Durandetti, Muriel; Sebban, Muriel; Hamdoun, Ghanem; Oulyadi, Hassan; Harrowven, David; Legros, Julien; Chataigner, Isabelle","High Pressure promoted Dearomatization of Nitroarenes by [4+2] Cycloadditions with Silyloxydienes","Chemical Communications","2022","","","","","10.1039/D2CC04778K","","","0.71073","MoKα","","0.0379","0.0245","","","0.0497","0.0532","","","","","","1.05","","","","has coordinates","278195","2022-09-26","21:53:43",""
"7130870","27.8523","0.0004","13.8253","0.0002","25.2206","0.0004","90","","90","","90","","9711.6","0.3","153.15","","153.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Al13 H48 O104 P V3 W9 -","- Al13 O80 P V3 W9 -","- Al52 O320 P4 V12 W36 -","4","0.5","","Zhou, Wei; Ogiwara, Naoki; Weng, Zhewei; Zhao, Congcong; Yan, Likai; Kikukawa, Yuji; Uchida, Sayaka","Vanadium-substituted polycationic Al-oxo cluster in a porous ionic crystal exhibiting Lewis acidity","Chemical Communications","2022","","","","","10.1039/D2CC03545F","","x-ray","0.71073","MoKα","","0.093","0.086","","","0.1963","0.1991","","","","","","1.165","","","","has coordinates,has disorder","278612","2022-10-17","21:56:45",""
"7130997","23.0479","0.0007","14.9689","0.0006","9.7383","0.0003","90","","90","","90","","3359.7","0.2","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H44 K Np P2 -","- C36 H44 K Np P2 -","- C144 H176 K4 Np4 P8 -","4","0.5","","Černá, Michaela; Seed, John A.; Garrido Fernandez, Sara; Janicke, Michael T.; Scott, Brian L.; Whitehead, George F. S.; Gaunt, Andrew J.; Goodwin, Conrad A. P.","Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium","Chemical Communications","2022","","","","","10.1039/D2CC04803E","","","0.71073","MoKα","","0.0292","0.0238","","","0.0491","0.0512","","","","","","1.064","","","","has coordinates,has disorder","279263","2022-11-14","23:01:08",""
"7130998","23.418","0.0006","15.1866","0.0005","9.8667","0.0002","90","","90","","90","","3508.99","0.16","150","0.1","150","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H44 K P2 U -","- C36 H44 K P2 U -","- C144 H176 K4 P8 U4 -","4","0.5","","Černá, Michaela; Seed, John A.; Garrido Fernandez, Sara; Janicke, Michael T.; Scott, Brian L.; Whitehead, George F. S.; Gaunt, Andrew J.; Goodwin, Conrad A. P.","Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium","Chemical Communications","2022","","","","","10.1039/D2CC04803E","","x-ray","0.71073","MoKα","","0.0245","0.0231","","","0.0552","0.0561","","","","","","1.065","","","","has coordinates,has disorder","279263","2022-11-14","23:01:08",""
"7130999","23.3784","0.0007","15.1956","0.0006","9.8873","0.0003","90","","90","","90","","3512.5","0.2","150","0.1","150.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H44 K P2 Pu -","- C36 H44 K P2 Pu -","- C144 H176 K4 P8 Pu4 -","4","0.5","","Černá, Michaela; Seed, John A.; Garrido Fernandez, Sara; Janicke, Michael T.; Scott, Brian L.; Whitehead, George F. S.; Gaunt, Andrew J.; Goodwin, Conrad A. P.","Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium","Chemical Communications","2022","","","","","10.1039/D2CC04803E","","","0.71073","MoKα","","0.0322","0.0251","","","0.0544","0.0571","","","","","","1.021","","","","has coordinates,has disorder","279263","2022-11-14","23:01:08",""
"7131073","29.073","0.003","22.669","0.002","28.741","0.003","90","","90","","90","","18942","3","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C120 H104 B7 F28 N28 Ni4 O10.5 S4 -","- C120 H98 B7 F28 N28 Ni4 O10.5 S4 -","- C480 H392 B28 F112 N112 Ni16 O42 S16 -","4","0.5","","Wei, Jianwei; Zhao, Liang; Zhang, Yu; Zhou, Peng; Liu, Guangzhou; Duan, Chunying","Light-switched selective catalysis with NADH mimic functionalized metal-organic capsules.","Chemical communications (Cambridge, England)","2022","59","1","71","74","10.1039/d2cc04530c","","","0.71073","MoKα","","0.2262","0.0894","","","0.2124","0.2427","","","","","","1.05","","","","has coordinates,has disorder","281316","2023-03-04","17:38:38",""
"7131197","10.144","0.0005","17.454","0.0009","9.2908","0.0005","90","","90","","90","","1644.97","0.15","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H13 F3 N2 O3 S -","- C16 H13 F3 N2 O3 S -","- C64 H52 F12 N8 O12 S4 -","4","0.5","","Khandelia, Tamanna; Ghosh, Subhendu; Patel, Bhisma K.","Dearomative bis-functionalization of quinoxalines and bis-<i>N</i>-arylation of (benz)imidazoles <i>via</i> Cu(II)-mediated addition of boronic acids.","Chemical communications (Cambridge, England)","2023","59","15","2118","2121","10.1039/d2cc06399a","","","0.71073","MoKα","","0.0883","0.0747","","","0.1379","0.1477","","","","","","1.098","","","","has coordinates","283102","2023-05-05","00:28:48",""
"7131249","25.2179","0.0004","15.3306","0.0002","12.6825","0.0002","90","","90","","90","","4903.12","0.13","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20.4 H60.8 Cl4.8 Ge4 Si10 -","- C20.398 H60.7956 Cl4.802 Ge3.999 Si10.001 -","- C81.592 H243.182 Cl19.208 Ge15.996 Si40.004 -","4","0.5","","Köstler, Benedikt; Gilmer, Jannik; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Albert, Philipp; Fantuzzi, Felipe; Wagner, Matthias","Group IV heteroadamantanes: synthesis of Si<sub>6</sub>Sn<sub>4</sub> and site-selective derivatization of Si<sub>6</sub>Ge<sub>4</sub>.","Chemical communications (Cambridge, England)","2023","59","16","2295","2298","10.1039/d2cc06697a","","","0.71073","MoKα","","0.0405","0.0325","","","0.0817","0.0856","","","","","","1.043","","","","has coordinates,has disorder","283047","2023-05-05","00:12:35",""
"7131386","13.9284","0.0002","12.5175","0.0002","7.65","0.0001","90","","90","","90","","1333.77","0.03","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Ba4 Ni3 F15 H2 O","","","- Ba4 F14 H2 Ni3 O -","- Ba4 F14 H2 Ni3 O -","- Ba16 F56 H8 Ni12 O4 -","4","0.5","","Wang, Yanqi; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen","Ba<sub>4</sub>Ni<sub>3</sub>F<sub>14</sub>·H<sub>2</sub>O: a ferrimagnetic compound with a staircase kagomé lattice.","Chemical communications (Cambridge, England)","2023","59","26","3870","3873","10.1039/d2cc06906g","","","0.71073","MoKα","","0.0257","0.0248","","","0.0589","0.0593","","","","","","1.37","","","","has coordinates","282273","2023-04-04","09:50:36",""
"7131526","9.711","0.0009","16.129","0.0015","9.7091","0.0009","90","","90","","90","","1520.7","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Zinc Aminotriazolato Acetate Hydroxide","","- C6 H9 N8 O3 Zn2 -","- C6 H9 N8 O3 Zn2 -","- C24 H36 N32 O12 Zn8 -","4","0.5","","Singh, Piyush; Singh, Himan Dev; Menon, Abhijith Hari; Vaidhyanathan, Ramanathan","Preferential CO<sub>2</sub> adsorption by an ultra-microporous zinc-aminotriazolato-acetate MOF.","Chemical communications (Cambridge, England)","2023","59","37","5559","5562","10.1039/d3cc01157g","","","1.54178","CuKα","","0.0624","0.0585","","","0.174","0.1783","","","","","","1.115","","","","has coordinates","284173","2023-06-05","03:35:10",""
"7131548","34.469","0.007","13.371","0.003","11.347","0.002","90","","90","","90","","5229.7","1.8","250","2","250","2","","","","","","","","10","P n m a","-P 2ac 2n","62","17","","","- C46 H44 Au Br F12 N4 O P2 Sb2 Zn -","- C46 H44 Au Br F12 N4 O P2 Sb2 Zn -","- C184 H176 Au4 Br4 F48 N16 O4 P8 Sb8 Zn4 -","4","0.5","","Eltester, M. Alexander; Gildenast, Hans; Rabatinová, Kristína; Pütz, Christopher; Cremer, Christopher; Lanzerath, Patrick; Schroers, Julian P.; Tauchert, Michael E.","Au → M bonds promote catalytic alkyne hydrofunctionalisation.","Chemical communications (Cambridge, England)","2023","59","36","5459","5462","10.1039/d3cc01008b","","","0.71073","MoKα","","0.0863","0.06","","","0.121","0.1301","","","","","","1.157","","","","has coordinates,has disorder","283111","2023-05-05","00:31:04",""
"7131549","27.215","0.003","15.3259","0.0019","11.2478","0.0014","90","","90","","90","","4691.4","1","100","2","100","2","","","","","","","","10","P n m a","-P 2ac 2n","62","11","","","- C47 H44 Au Cl Cu F3 N4 O4 P2 S -","- C47 H44 Au Cl Cu F3 N4 O4 P2 S -","- C188 H176 Au4 Cl4 Cu4 F12 N16 O16 P8 S4 -","4","0.5","","Eltester, M. Alexander; Gildenast, Hans; Rabatinová, Kristína; Pütz, Christopher; Cremer, Christopher; Lanzerath, Patrick; Schroers, Julian P.; Tauchert, Michael E.","Au → M bonds promote catalytic alkyne hydrofunctionalisation.","Chemical communications (Cambridge, England)","2023","59","36","5459","5462","10.1039/d3cc01008b","","","0.71073","MoKα","","0.0559","0.0441","","","0.1028","0.107","","","","","","1.051","","","","has coordinates,has disorder","283111","2023-05-05","00:31:04",""
"7131550","11.1687","0.0015","16.198","0.002","34.695","0.005","90","","90","","90","","6276.7","1.5","100","2","100","2","","","","","","","","10","P n m a","-P 2ac 2n","62","7","","","- C54 H52 Au Cl F12 N6 O10 P2 S4 Zn -","- C54 H52 Au Cl F12 N6 O10 P2 S4 Zn -","- C216 H208 Au4 Cl4 F48 N24 O40 P8 S16 Zn4 -","4","0.5","","Eltester, M. Alexander; Gildenast, Hans; Rabatinová, Kristína; Pütz, Christopher; Cremer, Christopher; Lanzerath, Patrick; Schroers, Julian P.; Tauchert, Michael E.","Au → M bonds promote catalytic alkyne hydrofunctionalisation.","Chemical communications (Cambridge, England)","2023","59","36","5459","5462","10.1039/d3cc01008b","","","0.71073","MoKα","","0.0782","0.0552","","","0.1221","0.1302","","","","","","1.067","","","","has coordinates,has disorder","283111","2023-05-05","00:31:04",""
"7131605","30.888","0.015","15.243","0.008","10.929","0.006","90","","90","","90","","5146","5","260","2","260","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C27 H54 Cu4 I6 O13 Rb2 -","- C27 H54 Cu4 I6 O13 Rb2 -","- C108 H216 Cu16 I24 O52 Rb8 -","4","0.5","","Almushaikeh, Alaa M.; Wang, Hong; Gutiérrez-Arzaluz, Luis; Yin, Jun; Huang, Ren-Wu; Bakr, Osman M.; Mohammed, Omar F.","Zero-dimensional Cu(I)-based organometallic halide with green cluster-centred emission for high resolution X-ray imaging screens.","Chemical communications (Cambridge, England)","2023","59","30","4447","4450","10.1039/d3cc00730h","","x-ray","0.71073","MoKα","","0.0713","0.0383","","","0.0693","0.0905","","","","","","1.089","","","","has coordinates,has disorder","282968","2023-05-03","23:12:16",""
"7131733","8.0166","0.0004","13.4004","0.0006","15.2143","0.0007","90","","90","","90","","1634.41","0.13","296","2","296.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C21 H17 Br N -","- C21 H17 Br N -","- C84 H68 Br4 N4 -","4","0.5","","Pal, Nilay Kumar; Patra, Moumita; Pandey, Prabhakar K.; Bera, Jitendra K.","Hydroarylation of alkynes <i>via</i> dual <i>ortho</i>-C-H functionalization of diaryl amines on a dicopper(I,I) platform.","Chemical communications (Cambridge, England)","2023","59","52","8079","8082","10.1039/d3cc01251d","","","0.71073","MoKα","","0.0242","0.0215","","","0.057","0.0583","","","","","","1.076","","","","has coordinates,has disorder","284840","2023-07-05","08:49:09",""
"7132398","17.1539","0.0004","20.3189","0.0005","13.4474","0.0003","90","","90","","90","","4687.07","0.19","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C50 H72 Cu N5 O2 -","- C50 H72 Cu N5 O2 -","- C200 H288 Cu4 N20 O8 -","4","0.5","","Gridneva, Tatiana; Karimata, Ayumu; Bansal, Richa; Fayzullin, Robert R.; Vasylevskyi, Serhii; Bruhacs, Andrew; Khusnutdinova, Julia R.","Deep-red photoluminescent mechanoresponsive polymers with dynamic Cu<sup>I</sup>-arylamide mechanophores.","Chemical communications (Cambridge, England)","2023","60","2","212","215","10.1039/d3cc04643e","","x-ray","0.71073","MoKα","","0.0771","0.066","","","0.1807","0.188","","","","","","1.072","","","","has coordinates,has disorder","289348","2024-02-04","11:10:48",""
"7132463","17.1696","0.0005","9.4705","0.0003","4.8298","0.0001","90","","90","","90","","785.35","0.04","149.95","0.1","149.95","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H11 F3 O4 -","- C6 H11 F3 O4 -","- C24 H44 F12 O16 -","4","0.5","","Haridas, Shyamkumar V.; von Delius, Max","Synthesis and supramolecular properties of all-<i>cis</i>-2,4,6-trifluorocyclohexane-1,3,5-triol.","Chemical communications (Cambridge, England)","2024","60","5","606","609","10.1039/d3cc05510h","","x-ray","1.54184","CuKα","","0.0383","0.0357","","","0.0947","0.0982","","","","","","1.11","","","","has coordinates","289339","2024-02-04","11:08:00",""
"7132567","28.44051","0.00012","33.62784","0.00006","12.56775","0.00013","90","","90","","90","","12019.7","0.14","100","2","100","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C108.92 H138.37 Br2.52 Cl0.48 Mg3 N10.46 O10 Zn3 -","- C100.916 H126.374 Br2.516 Cl0.484 Mg3 N6.458 O10 Zn3 -","- C403.664 H505.496 Br10.064 Cl1.936 Mg12 N25.832 O40 Zn12 -","4","0.5","","Banks, Henry J. S.; Frese, Josef W. A.; Elsegood, Mark R. J.; Redshaw, Carl","Mixed-magnesium/zinc calix[4]arene complexes: structure, and ring opening polymerisation studies.","Chemical communications (Cambridge, England)","2024","60","3","304","307","10.1039/d3cc04899c","","","1.54178","CuKα","","0.0737","0.0718","","","0.2038","0.2053","","","","","","1.057","","","","has coordinates,has disorder","288609","2024-01-02","23:00:38",""
"7132583","16.5748","0.0004","13.6875","0.0003","10.2341","0.0003","90","","90","","90","","2321.79","0.1","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H33 Co F O4 P -","- C22 H33 Co F O4 P -","- C88 H132 Co4 F4 O16 P4 -","4","0.5","","Pietraru, Marie-Hélène; Ponsard, Louise; Lentz, Nicolas; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Fluorophosphoniums as Lewis acids in organometallic catalysis: application to the carbonylation of β-lactones.","Chemical communications (Cambridge, England)","2024","60","8","1043","1046","10.1039/d3cc04282k","","","0.71073","MoKα","","0.0325","0.0261","","","0.0657","0.0712","","","","","","1.076","","","","has coordinates","289332","2024-02-04","11:05:00",""
"7132658","13.529","0.003","20.929","0.004","16.907","0.003","90","","90","","90","","4787.2","1.6","200","","200","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C40 H52 Cu2 F6 N10 O10 S2 -","- C40 H53 Cu2 F6 N10 O10 S2 -","- C160 H212 Cu8 F24 N40 O40 S8 -","4","0.5","","De Tovar, Jonathan; Philouze, Christian; Thibon-Pourret, Aurore; Belle, Catherine","Insights into non-covalent interactions in dicopper(II,II) complexes bearing a naphthyridine scaffold: anion-dictated electrochemistry.","Chemical communications (Cambridge, England)","2024","60","16","2228","2231","10.1039/d3cc06264c","","x-ray","0.71073","MoKα","","0.0626","0.0409","","","0.0956","0.1114","","","","","","1.121","","","","has coordinates,has disorder","290083","2024-03-04","19:48:37",""
"7150125","17.357","0.008","13.487","0.005","14.83","0.006","90","","90","","90","","3472","2","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C46 H38 O6 -","- C46 H32 O6 -","- C184 H128 O24 -","4","0.5","","Tellenbröker, Jörg; Barth, Dieter; Neumann, Beate; Stammler, Hans-Georg; Kuck, Dietmar","Methoxy-substituted centrohexaindanes through the fenestrane route.","Organic & biomolecular chemistry","2005","3","4","570","571","10.1039/b417837h","","","0.71073","MoKα","","0.1294","0.0753","","","0.1787","0.2126","","","","","","1.018","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150188","23.851","0.0003","12.333","0.0003","13.074","0.0004","90","","90","","90","","3845.77","0.16","200","","200","","","","","","","","?","4","P n m a","-P 2ac 2n","62","","","","- C20 H22 Br2 O2 -","- C20 H22 Br2 O2 -","- C160 H176 Br16 O16 -","8","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","0.71073","MoKα","","","0.0321","","","","0.0242","","","","","","1.0311","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150484","7.281","0.003","24.097","0.006","8.919","0.003","90","","90","","90","","1564.8","0.9","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","N,N'-bis(2-pyridyl)-1,3-diaminobenzene oxalic acid","","- C18 H16 N4 O4 -","- C18 H16 N4 O4 -","- C72 H64 N16 O16 -","4","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","1.54178","CuKα","","0.0853","0.0352","","","0.0785","0.0853","","","","","","0.988","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150486","7.251","0.004","24.325","0.005","9.185","0.003","90","","90","","90","","1620.1","1.1","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","N,N'-bis(2-pyridyl)-1,3-diaminobenzene squaric acid","","- C20 H16 N4 O4 -","- C20 H16 N4 O4 -","- C80 H64 N16 O16 -","4","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.1333","0.0838","","","0.1717","0.2047","","","","","","1.132","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7151116","14.876","0.002","10.0507","0.0014","12.6706","0.0018","90","","90","","90","","1894.4","0.5","100","2","100","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C29 H20 -","- C29 H20 -","- C116 H80 -","4","0.5","","Nikitin, Kirill; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","Joining the rings: the preparation of 2- and 3-indenyl-triptycenes, and curious related processes.","Organic & biomolecular chemistry","2007","5","12","1952","1960","10.1039/b703437g","","","0.71073","MoKα","","0.0587","0.053","","","0.1137","0.1164","","","","","","1.23","","","","has coordinates,has disorder","180297","2020-10-21","18:00:00",""
"7151259","13.4485","0.0012","6.4673","0.0006","9.3711","0.0006","90","","90","","90","","815.06","0.12","123","2","123","2","","","","","","","","4","P n m a","-P 2ac 2n","62","adeninediium dichloride","adeninediium dichloride","","- C5 H7 Cl2 N5 -","- C5 H7 Cl2 N5 -","- C20 H28 Cl8 N20 -","4","0.5","","Schmidt, Andreas; Lindner, Anika; Nieger, Martin; Ruiz-Delgado, Maria del Carmen; Ramirez, Francisco Javier","Syntheses, pi-stacking interactions and base-pairings of uracil pyridinium salts and uracilyl betaines with nucleobases.","Organic & biomolecular chemistry","2006","4","16","3056","3066","10.1039/b606249k","","","0.71073","MoKα","","0.0318","0.0265","","","0.0702","0.0717","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151460","9.1023","0.0002","16.8216","0.0003","9.1905","0.0002","90","","90","","90","","1407.21","0.05","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C14 H20 S2 -","- C14 H20 S2 -","- C56 H80 S8 -","4","0.5","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0425","0.0337","","","0.0878","0.0943","","","","","","1.028","","","","has coordinates,has disorder","180300","2020-10-21","18:00:00",""
"7151501","15.295","0.003","6.895","0.007","9.063","0.002","90","","90","","90","","955.8","1","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Br N4 S -","- C6 H11 Br N4 S -","- C24 H44 Br4 N16 S4 -","4","0.5","","Thanyasirikul, Yupa; Pakawatchai, Chaveng; Cole, Marcus L.; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Reappraising the formation of Jaff�'s base: studies of the treatment of imidazolidine-2-thione with mild oxidising agents","Organic & Biomolecular Chemistry","2003","1","18","3217","","10.1039/b306647a","","","0.71073","MoKα","","0.051","0.033","","0.059","","0.049","","","1.115","","","1.148","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151553","19.111","0.002","19.764","0.002","18.122","0.002","90","","90","","90","","6844.9","1.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C60 H91 N O35 Ru3 S4 -","- C62 H81 N O35 Ru3 S4 -","- C248 H324 N4 O140 Ru12 S16 -","4","0.5","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.103","0.053","","0.087","","0.055","","","1.24","","","1.23","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153032","14.554","0.003","12.849","0.003","8.6466","0.0017","90","","90","","90","","1617","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H18 N O5 P -","- C15 H18 N O5 P -","- C60 H72 N4 O20 P4 -","4","0.5","","Cai, Yan; Lu, Yuchen; Yu, Chengbin; Lyu, Hairong; Miao, Zhiwei","Combined C-H functionalization/O-H insertion reaction to form tertiary β-alkoxy substituted β-aminophosphonates catalyzed by [Cu(MeCN)4]PF6.","Organic & biomolecular chemistry","2013","11","33","5491","5499","10.1039/c3ob40941d","","","0.71073","MoKα","","0.0616","0.0501","","","0.145","0.157","","","","","","1.054","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153383","16.742","0.0003","12.076","0.0004","12.498","0.0004","90","","90","","90","","2526.8","0.12","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","re cyclohexanol ester","rhenium cyclohexanol ester","","- C26 H12.5 B F4 N3 O4 Re -","- C25.2 H15 B F4 N3 O5.3 Re -","- C100.8 H60 B4 F16 N12 O21.2 Re4 -","4","0.5","","Fernández-Moreira, Vanesa; Thorp-Greenwood, Flora L; Amoroso, Angelo J.; Cable, Joanne; Court, Jonathan B.; Gray, Victoria; Hayes, Anthony J.; Jenkins, Robert L.; Kariuki, Benson M.; Lloyd, David; Millet, Coralie O.; Williams, Catrin Ff; Coogan, Michael P.","Uptake and localisation of rhenium fac-tricarbonyl polypyridyls in fluorescent cell imaging experiments.","Organic & biomolecular chemistry","2010","8","17","3888","3901","10.1039/c004610h","","","0.71073","MoKα","","0.0539","0.0474","","","0.1363","0.1535","","","","","","1.341","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153827","20.3874","0.0008","6.9055","0.0003","12.3088","0.0005","90","","90","","90","","1732.9","0.12","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H20 I N O -","- C19 H20 I N O -","- C76 H80 I4 N4 O4 -","4","0.5","","Han, Qingxin; Shi, Zhaohua; Tang, Xiaoliang; Yang, Lizi; Mou, Zuolin; Li, Jing; Shi, Jinmin; Chen, Chunyang; Liu, Wei; Yang, Huan; Liu, Weisheng","A colorimetric and ratiometric fluorescent probe for distinguishing cysteine from biothiols in water and living cells.","Organic & biomolecular chemistry","2014","12","27","5023","5030","10.1039/c4ob00463a","","","0.71073","MoKα","","0.0348","0.0311","","","0.1247","0.1328","","","","","","1.013","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153883","11.94158","0.00018","12.0243","0.0002","11.31901","0.00019","90","","90","","90","","1625.29","0.05","293","1","293","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","4-tert-Butoxycarbonylamino-2,2,6,6-tetramethylpiperidin-1-oxid","","- C14 H27 N2 O3 -","- C14 H27 N2 O3 -","- C56 H108 N8 O12 -","4","0.5","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.71073","MoKα","","0.064","0.058","","","0.1661","0.1727","","","","","","1.076","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153884","11.9401","0.0007","11.3109","0.0007","10.5933","0.0005","90","","90","","90","","1430.66","0.14","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","3-(2,2,2-Trifluoroacetylamino)-2,2,5,5-tetramethylpyrrolidin-1-oxid","","- C11 H18 F3 N2 O2 -","- C11 H18 F3 N2 O2 -","- C44 H72 F12 N8 O8 -","4","0.5","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.71073","MoKα","","0.0879","0.0664","","","0.1805","0.2075","","","","","","1.094","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7154225","35.515","0.002","14.5644","0.0007","5.7956","0.0004","90","","90","","90","","2997.8","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C17 H19 O2 P -","- C17 H19 O2 P -","- C136 H152 O16 P8 -","8","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","1.54184","CuKα","","0.0804","0.0679","","","0.1723","0.1799","","","","","","1.122","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154310","5.561","","6.229","","16.499","","90","","90","","90","","571.517","","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H4 N2 O3 -","- C4 H4 N2 O3 -","- C16 H16 N8 O12 -","4","0.5","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.0948","0.0553","","","0.1257","0.1425","","","","","","0.907","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154444","20.5153","0.0014","6.7406","0.0004","7.4148","0.0005","90","","90","","90","","1025.36","0.12","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","2,2,2-trichloro-1-(1H-indol-3-yl)ethan-1-one","","- C10 H6 Cl3 N O -","- C10 H6 Cl3 N O -","- C40 H24 Cl12 N4 O4 -","4","0.5","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0321","0.0282","","","0.066","0.0691","","","","","","1.109","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154684","13.1418","0.001","5.9625","0.0005","6.768","0.0006","90","","90","","90","","530.33","0.08","132","2","132","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H3 N5 O -","- C4 H3 N5 O -","- C16 H12 N20 O4 -","4","0.5","","Thomann, A.; Zapp, J.; Hutter, M.; Empting, M.; Hartmann, R. W.","Steering the azido-tetrazole equilibrium of 4-azidopyrimidines via substituent variation - implications for drug design and azide-alkyne cycloadditions.","Organic & biomolecular chemistry","2015","13","43","10620","10630","10.1039/c5ob01006c","","","0.71073","MoKα","","0.0674","0.0429","","","0.0993","0.1109","","","","","","1.053","","","","has coordinates","171343","2020-10-21","18:00:00",""
"7155348","19.765","0.001","17.35","0.001","24.003","0.002","90","","90","","90","","8231.2","0.9","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C70 H25 Br O5 -","- C70 H25.5 Br O5 -","- C560 H204 Br8 O40 -","8","1","","Khakina, Ekaterina A.; Kraevaya, Ol'ga A.; Popova, Maria L.; Peregudov, Alexander S.; Troyanov, Sergey I.; Chernyak, Alexander V.; Martynenko, Vyacheslav M.; Kulikov, Alexander V.; Schols, Dominique; Troshin, Pavel A.","Synthesis of different types of alkoxy fullerene derivatives from chlorofullerene C60Cl6.","Organic & biomolecular chemistry","2017","15","4","773","777","10.1039/c6ob02251k","","","0.88561","synchrotron","","0.2131","0.1041","","","0.2425","0.2686","","","","","","1.054","","","","has coordinates,has disorder","191733","2020-10-21","18:00:00",""
"7155618","34.5876","0.0004","9.19962","0.0001","4.92247","0.00005","90","","90","","90","","1566.29","0.03","123","2","123","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H17 Br F2 O -","- C18 H17 Br F2 O -","- C72 H68 Br4 F8 O4 -","4","0.5","","Konik, Yulia A.; Kudrjashova, Marina; Konrad, Nele; Kaabel, Sandra; Järving, Ivar; Lopp, Margus; Kananovich, Dzmitry","Two-step Conversion of Carboxylic Esters into Distally Fluorinated Ketones via Ring Cleavage of Cyclopropanol Intermediates: Application of Sulfinate Salts as Fluoroalkylating Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00680B","","x-ray","1.54184","CuKα","","0.0236","0.0235","","","0.0626","0.0627","","","","","","1.127","","","","has coordinates,has disorder","196572","2020-10-21","18:00:00",""
"7155638","13.9685","0.0019","7.1901","0.0009","12.5256","0.0016","90","","90","","90","","1258","0.3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H13 I O2 -","- C13 H13 I O2 -","- C52 H52 I4 O8 -","4","0.5","","Mancuso, Raffaella; Pomelli, Christian Silvio; Malafronte, Francesco; Maner, Asif; Marino, Nadia; Chiappe, Cinzia; Gabriele, Bartolo","Divergent syntheses of iodinated isobenzofuranones and isochromenones by iodolactonization of 2-alkynylbenzoic acids in ionic liquids","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00962C","","","0.71073","MoKα","","0.0353","0.0317","","","0.0856","0.1048","","","","","","1.339","","","","has coordinates","196748","2020-10-21","18:00:00",""
"7156073","14.9764","0.0004","6.8786","0.0002","19.4161","0.0004","90","","90","","90","","2000.18","0.09","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H18 F3 N3 O4 -","- C21 H18 F3 N3 O4 -","- C84 H72 F12 N12 O16 -","4","0.5","","Utecht, Greta; Fruziński, Andrzej; Jasiński, Marcin","Polysubstituted 3-trifluoromethylpyrazoles: regioselective (3 + 2)-cycloaddition of trifluoroacetonitrile imines with enol ethers and functional group transformations.","Organic & biomolecular chemistry","2018","16","8","1252","1257","10.1039/c7ob03126b","","x-ray","1.54184","CuKα","","0.0468","0.0391","","","0.1106","0.1151","","","","","","1.093","","","","has coordinates,has disorder","230644","2020-10-21","18:00:00",""
"7156651","23.014","0.007","6.551","0.002","6.696","0.002","90","","90","","90","","1009.5","0.5","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H10 O3 S -","- C11 H10 O3 S -","- C44 H40 O12 S4 -","4","0.5","","Wang, Miao; Tang, Bo-Cheng; Ma, Jin-Tian; Wang, Zi-Xuan; Xiang, Jia-Chen; Wu, Yan-Dong; Wang, Jun-Gang; Wu, An-Xin","I<sub>2</sub>/DMSO-mediated multicomponent reaction of o-hydroxyaryl methyl ketones, rongalite, and DMSO: access to C3-sulfenylated chromones.","Organic & biomolecular chemistry","2019","17","6","1535","1541","10.1039/c8ob02994f","","","0.71073","MoKα","","0.0675","0.0493","","","0.1416","0.1604","","","","","","0.942","","","","has coordinates","225150","2020-10-21","18:00:00",""
"7156708","7.9846","0.0003","15.1323","0.0005","12.2645","0.0004","90","","90","","90","","1481.86","0.09","115","2","115","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H14 Br2 Se -","- C14 H14 Br2 Se -","- C56 H56 Br8 Se4 -","4","0.5","","Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich","Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.","Organic & biomolecular chemistry","2019","17","12","3181","3185","10.1039/c9ob00078j","","","0.71073","MoKα","","0.0236","0.0187","","","0.0417","0.0434","","","","","","1.064","","","","has coordinates","225298","2020-10-21","18:00:00",""
"7156788","12.6928","0.0004","7.034","0.0003","21.7643","0.0008","90","","90","","90","","1943.14","0.13","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H17 Cl O2 -","- C24 H17 Cl O2 -","- C96 H68 Cl4 O8 -","4","0.5","","Kong, Hongjun; Li, Qingrui; Yin, Yunnian; Huang, Mengmeng; Kim, Jung Keun; Zhu, Yu; Li, Yabo; Wu, Yangjie","An efficient light on-off one-pot method for the synthesis of 3-styryl coumarins from aryl alkynoates.","Organic & biomolecular chemistry","2019","17","18","4621","4628","10.1039/c9ob00421a","","x-ray","1.54184","CuKα","","0.0932","0.0728","","","0.2076","0.2326","","","","","","1.054","","","","has coordinates,has disorder","225244","2020-10-21","18:00:00",""
"7156994","10.485","0.004","6.832","0.003","21.082","0.008","90","","90","","90","","1510.2","1","296","2","296.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H12 Cl3 N3 -","- C15 H12 Cl3 N3 -","- C60 H48 Cl12 N12 -","4","0.5","","Jiang, Shaohua; Yang, Zhihai; Guo, Ziyin; Li, Yibiao; Chen, Lu; Zhu, Zhongzhi; Chen, Xiuwen","Transition metal-free α-methylation of 1,8-naphthyridine derivatives using DMSO as methylation reagent.","Organic & biomolecular chemistry","2019","17","31","7416","7424","10.1039/c9ob01490j","","","0.71073","MoKα","","0.0787","0.0653","","","0.1794","0.1961","","","","","","1.063","","","","has coordinates,has disorder","225234","2020-10-21","18:00:00",""
"7157649","15.0501","0.0004","23.9887","0.0008","6.1915","0.0002","90","","90","","90","","2235.33","0.12","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 Cl2 N3 O4 S2 -","- C19 H23 Cl2 N3 O4 S2 -","- C76 H92 Cl8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0771","0.0508","","","0.1212","0.1375","","","","","","1.029","","","","has coordinates","258952","2020-11-06","13:08:23",""
"7157652","15.0515","0.0005","23.4696","0.0008","6.1833","0.0002","90","","90","","90","","2184.27","0.13","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 Cl2 N3 O4 S2 -","- C19 H23 Cl2 N3 O4 S2 -","- C76 H92 Cl8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.06","0.0395","","","0.0953","0.1106","","","","","","1.087","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157653","15.1555","0.0007","24.3132","0.0012","6.1544","0.0003","90","","90","","90","","2267.77","0.19","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 Br2 N3 O4 S2 -","- C19 H23 Br2 N3 O4 S2 -","- C76 H92 Br8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0816","0.0417","","","0.0793","0.0931","","","","","","1.011","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157655","15.4374","0.0004","24.9622","0.0006","6.1336","0.0002","90","","90","","90","","2363.59","0.11","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 I2 N3 O4 S2 -","- C19 H23 I2 N3 O4 S2 -","- C76 H92 I8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0474","0.0383","","","0.0815","0.0854","","","","","","1.11","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157656","15.4193","0.0004","24.5788","0.0007","6.1039","0.0002","90","","90","","90","","2313.3","0.12","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 I2 N3 O4 S2 -","- C19 H23 I2 N3 O4 S2 -","- C76 H92 I8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0303","0.0253","","","0.0523","0.0543","","","","","","1.198","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157925","15.2387","0.0004","10.3818","0.0004","9.6545","0.0003","90","","90","","90","","1527.39","0.09","150","0.1","150","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","0.5","","Han, Xiao-Dan; Peng, Gao-Liang; Wang, Hui-Bin; Wu, Lei; Fu, Jian-Ping; Tang, Zhong-Sheng; Hu, Ju-Wu; Xiong, Wei","Novel synthesis of fused spiro piperidone-cyclopropanes from cyclopropyl amides and electron-deficient alkenes.","Organic & biomolecular chemistry","2021","19","14","3191","3198","10.1039/d1ob00214g","","x-ray","1.54184","CuKα","","0.0724","0.0692","","","0.164","0.1658","","","","","","1.163","","","","has coordinates","264951","2021-05-05","09:03:55",""
"7157927","10.3731","0.0001","6.7217","0.0001","16.666","0.0002","90","","90","","90","","1162.03","0.02","150","2","150.01","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C15 H16 O -","- C15 H16 O -","- C60 H64 O4 -","4","0.5","","Williams, Georgia E.; Kociok-Köhn, Gabriele; James, Tony D.; Lewis, Simon E.","C4-aldehyde of guaiazulene: synthesis and derivatisation.","Organic & biomolecular chemistry","2021","19","11","2502","2511","10.1039/d0ob02567d","","x-ray","1.54184","CuKα","","0.0442","0.0431","","","0.1183","0.1197","","","","","","1.063","","","","has coordinates","263844","2021-04-05","15:18:40",""
"7157978","21.5473","0.0006","6.9275","0.0002","10.8993","0.0003","90","","90","","90","","1626.93","0.08","150","2","150","2","","","","","","","synthesized by the authors","4","P n m a","-P 2ac 2n","62","","","","- C17 H15 Cl3 O3 -","- C17 H15 Cl3 O3 -","- C68 H60 Cl12 O12 -","4","0.5","","Nechaev, Anton A.; Jagtap, Pratap R.; BaŽíková, Ema; Neumannová, Johana; Císařová, Ivana; Matoušová, Eliška","Synthesis of fused 1,2-naphthoquinones with cytotoxic activity using a one-pot three-step reaction.","Organic & biomolecular chemistry","2021","19","15","3434","3440","10.1039/d1ob00205h","","","1.54178","CuKα","","0.0482","0.0475","","","0.1255","0.1259","","","","","","1.165","","","","has coordinates","264963","2021-05-05","09:05:27",""
"7158206","12.7742","0.0002","7.1824","0.0001","15.7199","0.0002","90","","90","","90","","1442.29","0.04","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H14 I2 N2 -","- C12 H13.5 I2 N2 -","- C48 H54 I8 N8 -","4","0.5","","Sysoeva, Alexandra A.; Novikov, Alexander S.; Il'in, Mikhail V.; Suslonov, Vitalii V.; Bolotin, Dmitrii S.","Predicting the catalytic activity of azolium-based halogen bond donors: an experimentally-verified theoretical study.","Organic & biomolecular chemistry","2021","19","35","7611","7620","10.1039/d1ob01158h","","x-ray","1.54184","CuKα","","0.0222","0.0216","","","0.053","0.0535","","","","","","1.062","","","","has coordinates,has disorder","269785","2021-10-06","16:16:19",""
"7158382","4.931","0.0001","19.1334","0.0006","20.4301","0.0006","90","","90","","90","","1927.51","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H22 N4 O2 S -","- C20 H22 N4 O2 S -","- C80 H88 N16 O8 S4 -","4","0.5","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.1463","0.1355","","","0.2605","0.2648","","","","","","1.279","","","","has coordinates,has disorder","271222","2021-12-07","03:53:41",""
"7158830","17.026","0.003","13.546","0.002","8.1803","0.0014","90","","90","","90","","1886.7","0.5","100","2","100","2","","","","","","","no","4","P n m a","-P 2ac 2n","62","TripPh(NO2)2","(dinitrophenyl)triptycene","","- C26 H16 N2 O4 -","- C26 H16 N2 O4 -","- C104 H64 N8 O16 -","4","0.5","","Inami, Hazuki; Inagaki, Yusuke; Setaka, Wataru","Design of Rotational Potential in Phenyltriptycene Molecular Rotor by Exploiting CH/π-Interaction between Tripticil Hydrogen and Phenyl","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01179D","","","1.54178","CuKα","","0.0394","0.0393","","","0.0964","0.0965","","","","","","1.054","","","","has coordinates","277341","2022-08-21","00:16:58",""
"7159546","13.407","0.002","7.2877","0.0013","9.884","0.0017","90","","90","","90","","965.7","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H11 F O2 S -","- C9 H11 F O2 S -","- C36 H44 F4 O8 S4 -","4","0.5","","Ma, Yuyang; Pan, Qijun; Ou, Caiyun; Cai, Yinxia; Ma, Xiaoyu; Liu, Chao","Aryl sulfonyl fluoride synthesis <i>via</i> organophotocatalytic fluorosulfonylation of diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","37","7597","7601","10.1039/d3ob01200j","","","0.71073","MoKα","","0.0471","0.0402","","","0.1178","0.1253","","","","","","1.114","","","","has coordinates,has disorder","286784","2023-10-06","00:44:20",""
"7200222","12.5428","0.001","34.337","0.003","3.873","0.0003","90","","90","","90","","1668","0.2","180","2","180","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","0.5","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0446","0.0306","","","0.0712","0.0767","","","","","","1.045","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200231","9.5054","0.001","6.5175","0.0007","17.0878","0.0018","90","","90","","90","","1058.61","0.19","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H7 N2 O9 Yb -","- C7 H7 N2 O9 Yb -","- C28 H28 N8 O36 Yb4 -","4","0.5","","Wan, Yong-Hong; Zheng, Xiang-Jun; Wang, Feng-Qin; Zhou, Xiao-Yu; Wang, Ke-Zhi; Jin, Lin-Pei","Water cluster supported architecture of lanthanide coordination polymers with pyrazinetricarboxylic acid","CrystEngComm","2009","11","2","278","","10.1039/b810964h","","","0.71073","MoKα","","0.0284","0.0269","","","0.0695","0.0704","","","","","","1.051","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200232","9.5384","0.0008","6.5495","0.0006","17.1693","0.0015","90","","90","","90","","1072.6","0.16","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H7 Er N2 O9 -","- C7 H7 Er N2 O9 -","- C28 H28 Er4 N8 O36 -","4","0.5","","Wan, Yong-Hong; Zheng, Xiang-Jun; Wang, Feng-Qin; Zhou, Xiao-Yu; Wang, Ke-Zhi; Jin, Lin-Pei","Water cluster supported architecture of lanthanide coordination polymers with pyrazinetricarboxylic acid","CrystEngComm","2009","11","2","278","","10.1039/b810964h","","","0.71073","MoKα","","0.0214","0.0196","","","0.0468","0.0473","","","","","","1.096","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200278","13.199","0.008","7.258","0.004","22.234","0.015","90","","90","","90","","2130","2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H14 Fe Mn N9 O -","- C18 H12 Fe Mn N9 O -","- C72 H48 Fe4 Mn4 N36 O4 -","4","0.5","","Zhao, Chong-Chao; Ni, Wei-Wei; Tao, Jun; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of cyanide-bridged bimetallic MnIIFeIII coordination polymers based on the pentacyanoferrite(III) building blocks","CrystEngComm","2009","11","4","632","","10.1039/b812117f","","","0.71075","MoKα","","0.036","0.0309","","","0.0636","0.065","","","","","","1.012","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200485","14.7584","0.001","14.263","0.0009","12.199","0.0008","90","","90","","90","","2567.9","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H22 Cd N4 O5 -","- C28 H22 Cd N4 O5 -","- C112 H88 Cd4 N16 O20 -","4","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Batten, Stuart R.","Four-, and six-connected entangled frameworks based on flexible bis(imidazole) ligands and long dicarboxylate anions","CrystEngComm","2009","11","1","151","159","10.1039/b816356c","","","0.71073","MoKα","","0.0248","0.0224","","","0.0561","0.0575","","","","","","1.043","","","","has coordinates","218469","2020-10-21","18:00:00",""
"7200551","8.637","0.0004","20.346","0.002","9.7847","0.0005","90","","90","","90","","1719.4","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H14 I4 N4 Pb -","- C6 H14 I4 N4 Pb -","- C24 H56 I16 N16 Pb4 -","4","0.5","","Mercier, Nicolas; Louvain, Nicolas; Bi, Wenhua","Structural diversity and retro-crystal engineering analysis of iodometalate hybrids","CrystEngComm","2009","11","5","720","","10.1039/b817891g","","x-ray","0.71073","MoKα","","","0.0332","","","","0.0581","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200563","14.767","0.003","11.735","0.002","5.0741","0.001","90","","90","","90","","879.3","0.3","150","2","150","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","Urea-glutaric acid","Urea-glutaric acid","","- C6 H12 N2 O5 -","- C6 H12 N2 O5 -","- C24 H48 N8 O20 -","4","0.5","","Chadwick, Keith; Davey, Roger; Sadiq, Ghazala; Cross, Wendy; Pritchard, Robin","The utility of a ternary phase diagram in the discovery of new co-crystal forms","CrystEngComm","2009","11","3","412","","10.1039/b818268j","","x-ray","0.71073","MoKα","","0.1432","0.0771","","","0.1543","0.1897","","","","","","1.16","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200585","16.8241","0.0006","17.0411","0.0009","16.1283","0.0007","90","","90","","90","","4624","0.4","90","0.2","90","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C55 H64 N Si2 -","- C57 H62 N Si2 -","- C228 H248 N4 Si8 -","4","0.5","","Lim, Yee-Fun; Shu, Ying; Parkin, Sean R.; Anthony, John E.; Malliaras, George G.","Soluble n-type pentacene derivatives as novel acceptors for organic solar cells","Journal of Materials Chemistry","2009","19","19","3049","","10.1039/b818693f","","","1.54178","CuKα","","0.1779","0.1142","","","0.2931","0.3801","","","","","","1.012","","","","has coordinates,has disorder","180336","2020-10-21","18:00:00",""
"7200586","16.559","0.0001","17.614","0.0001","16.578","0.0002","90","0.0004","90","0.0003","90","0.0004","4835.31","0.07","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","?","- C432 N16 Si8 -","- C432 N16 Si8 -","","","","Lim, Yee-Fun; Shu, Ying; Parkin, Sean R.; Anthony, John E.; Malliaras, George G.","Soluble n-type pentacene derivatives as novel acceptors for organic solar cells","Journal of Materials Chemistry","2009","19","19","3049","","10.1039/b818693f","","","","","","","","","","","","","","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200587","16.6409","0.0006","17.5827","0.0007","18.8903","0.0008","90","","90","","90","","5527.1","0.4","90","0.2","90","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C64 H74 N2 Si2 -","- C64 H74 N2 Si2 -","- C256 H296 N8 Si8 -","4","0.5","","Lim, Yee-Fun; Shu, Ying; Parkin, Sean R.; Anthony, John E.; Malliaras, George G.","Soluble n-type pentacene derivatives as novel acceptors for organic solar cells","Journal of Materials Chemistry","2009","19","19","3049","","10.1039/b818693f","","","0.71073","MoKα","","0.1571","0.0891","","","0.1833","0.2075","","","","","","1.095","","","","has coordinates,has disorder","180336","2020-10-21","18:00:00",""
"7200629","17.54","0.004","18.008","0.004","11.256","0.003","90","","90","","90","","3555.3","1.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H6 Cu6 I3 N9 -","- C6 H6 Cu6 I3 N9 -","- C48 H48 Cu48 I24 N72 -","8","1","","Zhou, Xin-Hui; Peng, Yan-Hong; Du, Xiao-Di; Zuo, Jing-Lin; You, Xiao-Zeng","Hydrothermal syntheses and structures of three novel coordination polymers assembled from 1,2,3-triazolate ligands","CrystEngComm","2009","11","9","1964","","10.1039/b819302a","","","0.71073","MoKα","","0.0851","0.0589","","","0.1096","0.1185","","","","","","1.056","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200681","11.1759","0.0007","8.5562","0.0005","23.4528","0.0014","90","","90","","90","","2242.6","0.2","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H64 Cl8 Cu4 N12 O10 -","- C22 H64 Cl8 Cu4 N12 O10 -","- C44 H128 Cl16 Cu8 N24 O20 -","2","0.25","","Zhou, Hong; Chen, Lei; Chen, Rong; Peng, Zheng-He; Song, You; Pan, Zhi-Quan; Huang, Qi-Mao; Hu, Xue-Lei; Bai, Zheng-Wu","Hexamine copper(II) coordination polymers: synthesis, structure and magnetic properties","CrystEngComm","2009","11","4","671","","10.1039/b820108k","","","0.71073","MoKα","","0.0518","0.0423","","","0.1072","0.1104","","","","","","1.067","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7200685","5.94547","0.00008","3.59174","0.00005","6.79969","0.00011","90","","90","","90","","145.205","0.004","298","","298","","","","","","","","","2","P n m a","-P 2ac 2n","62","Calcium deuteride","","","- Ca D2 -","- Ca D1.913 -","- Ca4 D7.652 -","4","0.5","","Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T. S.","Structural and electrical properties of calcium and strontium hydrides","Journal of Materials Chemistry","2009","19","18","2766","","10.1039/b820173k","powder diffraction","neutron","1.90946","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.7725","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200687","5.94558","0.0001","3.59194","0.00006","6.79917","0.00013","90","","90","","90","","145.204","0.004","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca0.999 D1.82 Na0.001 -","- Ca D1.816 Na0.001 -","- Ca4 D7.264 Na0.004 -","4","0.5","","Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T. S.","Structural and electrical properties of calcium and strontium hydrides","Journal of Materials Chemistry","2009","19","18","2766","","10.1039/b820173k","powder diffraction","neutron","1.90946","ConstantWavelengthNeutronDiffraction","","","","","","","","","5.7414","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200688","6.3673","0.0001","3.86291","0.00006","7.30892","0.00012","90","","90","","90","","179.772","0.005","298","","298","","","","","","","","","2","P n m a","-P 2ac 2n","62","Strontium deuteride","","","- D2 Sr -","- D1.902 Sr -","- D7.608 Sr4 -","4","0.5","","Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T. S.","Structural and electrical properties of calcium and strontium hydrides","Journal of Materials Chemistry","2009","19","18","2766","","10.1039/b820173k","powder diffraction","neutron","1.90946","ConstantWavelengthNeutronDiffraction","","","","","","","","","6.5559","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200690","6.36729","0.00009","3.86346","0.00006","7.30807","0.00011","90","","90","","90","","179.777","0.005","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- D1.87 Na0.001 Sr0.999 -","- D1.868 Na0.001 Sr -","- D7.472 Na0.004 Sr4 -","4","0.5","","Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T. S.","Structural and electrical properties of calcium and strontium hydrides","Journal of Materials Chemistry","2009","19","18","2766","","10.1039/b820173k","powder diffraction","neutron","1.90946","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.4178","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200804","17.437","0.0002","6.7475","0.0004","12.1541","0.0004","90","","90","","90","","1430","0.1","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","IM-19 ps","","","- C7 H4.75 Ga0.5 O4 -","- C4 H2 Ga0.5 O2.5 -","- C32 H16 Ga4 O20 -","8","1","","Chaplais, Gérald; Simon-Masseron, Angélique; Porcher, Florence; Lecomte, Claude; Bazer-Bachi, Delphine; Bats, Nicolas; Patarin, Joël","IM-19: a new flexible microporous gallium based-MOF framework with pressure- and temperature-dependent openings","Physical Chemistry Chemical Physics","2009","11","26","5241","5245","10.1039/b822163d","","","0.71073","MoKα","","0.1747","0.0981","","","0.2113","0.2143","","","","7.75","7.75","5.1","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200990","6.2689","0.0002","8.3015","0.0002","6.1844","0.0002","90","","90","","90","","321.844","0.017","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","potassium trifluoro argentate","","","- Ag F3 K -","- Ag F3 K -","- Ag4 F12 K4 -","4","0.5","","Mazej, Zoran; Goreshnik, Evgeny; Jagličić, Zvonko; Gaweł, Bartłomiej; Łasocha, Wiesław; Grzybowska, Dorota; Jaroń, Tomasz; Kurzydłowski, Dominik; Malinowski, Przemysław; Koźminski, Wiktor; Szydłowska, Jadwiga; Leszczyński, Piotr; Grochala, Wojciech","KAgF3, K2AgF4 and K3Ag2F7: important steps towards a layered antiferromagnetic fluoroargentate(II),","CrystEngComm","2009","11","8","1702","","10.1039/b902161b","powder diffraction","","1.54178","CuKα","","0.0607","0.0533","","","0.0427","0.044","","","","","","","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7201003","15.017","0.003","17.685","0.004","27.129","0.005","90","","90","","90","","7205","3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C35 H65 Cu14 I14 N11 -","- C35 H53 Cu14 I14 N11 -","- C140 H212 Cu56 I56 N44 -","4","0.5","","Hou, Qin; Yu, Jie-Hui; Xu, Jia-Ning; Yang, Qing-Feng; Xu, Ji-Qing","A new 3-D two-fold interpenetrated framework with sqp net based on Cu6I6 and Cu8I8 cluster nodes","CrystEngComm","2009","11","11","2452","","10.1039/b902936m","","","0.71073","MoKα","","0.0645","0.0447","","","0.092","0.0982","","","","","","1.066","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201032","4.4968","0.0009","6.8417","0.0014","9.941","0.002","90","","90","","90","","305.84","0.11","295","2","295","2","","","530000","","","","","3","P n m a","-P 2ac 2n","62","iodomethane","iodomethane","","- C H3 I -","- C H3 I -","- C4 H12 I4 -","4","0.5","","Podsiadło, Marcin; Katrusiak, Andrzej","High-pressure crystal structure of methyl iodide: molecular aggregation in the crystals of halomethanes and their isostructural relations,","CrystEngComm","2009","11","9","1951","","10.1039/b903526e","","","0.71073","MoKα","","0.0276","0.0247","","","0.0631","0.0639","","","","","","1.145","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201033","4.3643","0.0009","6.6826","0.0013","9.773","0.002","90","","90","","90","","285.03","0.1","295","2","295","2","","","1160000","","","","","3","P n m a","-P 2ac 2n","62","iodomethane","iodomethane","","- C H3 I -","- C H3 I -","- C4 H12 I4 -","4","0.5","","Podsiadło, Marcin; Katrusiak, Andrzej","High-pressure crystal structure of methyl iodide: molecular aggregation in the crystals of halomethanes and their isostructural relations,","CrystEngComm","2009","11","9","1951","","10.1039/b903526e","","","0.71073","MoKα","","0.0215","0.0197","","","0.0478","0.0489","","","","","","1.178","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201034","4.2676","0.001","6.572","0.01","9.611","0.006","90","","90","","90","","269.6","0.4","295","2","295","2","","","2530000","","","","","3","P n m a","-P 2ac 2n","62","iodomethane","iodomethane","","- C H3 I -","- C H3 I -","- C4 H12 I4 -","4","0.5","","Podsiadło, Marcin; Katrusiak, Andrzej","High-pressure crystal structure of methyl iodide: molecular aggregation in the crystals of halomethanes and their isostructural relations,","CrystEngComm","2009","11","9","1951","","10.1039/b903526e","","","0.71073","MoKα","","0.0435","0.0418","","","0.0827","0.0857","","","","","","1.131","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201457","15.679","0.004","12.699","0.003","8.932","0.002","90","","90","","90","","1778.4","0.7","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H21 Cu2 N9 O8 -","- C9 H21 Cu2 N9 O8 -","- C36 H84 Cu8 N36 O32 -","4","0.5","","Moggach, Stephen A.; Galloway, Kyle W.; Lennie, Alistair R.; Parois, Pascal; Rowantree, Niall; Brechin, Euan K.; Warren, John E.; Murrie, Mark; Parsons, Simon","Polymerisation of a Cu(II) dimer into 1D chains using high pressure","CrystEngComm","2009","11","12","2601","","10.1039/b912707k","","","0.71073","MoKα","","0.0685","0.0582","","0.124","0.1215","0.124","","","","","","0.9563","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201458","15.6012","0.0009","12.5198","0.0003","8.8557","0.0002","90","","90","","90","","1729.73","0.11","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H21 Cu2 N9 O8 -","- C9 H21 Cu2 N9 O8 -","- C36 H84 Cu8 N36 O32 -","4","0.5","","Moggach, Stephen A.; Galloway, Kyle W.; Lennie, Alistair R.; Parois, Pascal; Rowantree, Niall; Brechin, Euan K.; Warren, John E.; Murrie, Mark; Parsons, Simon","Polymerisation of a Cu(II) dimer into 1D chains using high pressure","CrystEngComm","2009","11","12","2601","","10.1039/b912707k","","","0.4767","Synchrotron","","0.0454","0.0305","","0.0446","0.0436","0.0446","","","","","","1.4785","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201459","15.4344","0.0018","12.3617","0.0006","8.7439","0.0004","90","","90","","90","","1668.3","0.2","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H21 Cu2 N9 O8 -","- C9 H21 Cu2 N9 O8 -","- C36 H84 Cu8 N36 O32 -","4","0.5","","Moggach, Stephen A.; Galloway, Kyle W.; Lennie, Alistair R.; Parois, Pascal; Rowantree, Niall; Brechin, Euan K.; Warren, John E.; Murrie, Mark; Parsons, Simon","Polymerisation of a Cu(II) dimer into 1D chains using high pressure","CrystEngComm","2009","11","12","2601","","10.1039/b912707k","","","0.4767","Synchrotron","","0.0453","0.0307","","0.0448","0.0438","0.0448","","","","","","1.5406","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201823","7.0121","0.0001","8.8234","0.0001","12.7646","0.0002","90","","90","","90","","789.753","0.019","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C10 H10 Ru -","- C10 H10 Ru -","- C40 H40 Ru4 -","4","0.5","","Borissova, Alexandra O.; Antipin, Mikhail Yu.; Perekalin, Dmirtrii S.; Lyssenko, Konstantin A.","Crucial role of Ru⋯H interactions in the crystal packing of ruthenocene and its derivatives","CrystEngComm","2008","10","7","827","","10.1039/b716776h","","","0.71073","MoKα","","0.0289","0.0193","","","0.0349","0.038","","","","","","1","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201994","21.9566","0.001","6.6188","0.0003","11.3669","0.0005","90","","90","","90","","1651.91","0.13","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","9","","","- C14 H10 Eu N2 O12.5 -","- C14 H5 Eu N2 O12 -","- C56 H20 Eu4 N8 O48 -","4","0.5","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Synthesis and structural characterisation of lanthanide coordination polymers featuring 4,4′,6,6′-tetra-carboxy-2,2′-bipyridine and rare network topology","CrystEngComm","2008","10","8","1018","","10.1039/b801985a","","","0.71073","MoKα","","0.0624","0.0619","","","0.1542","0.1544","","","","","","1.423","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201996","21.9198","0.001","6.604","0.0003","11.3592","0.0005","90","","90","","90","","1644.34","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","10","","","- C14 H11 Gd N2 O13 -","- C14 H4 Gd N2 O13 -","- C56 H16 Gd4 N8 O52 -","4","0.5","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Synthesis and structural characterisation of lanthanide coordination polymers featuring 4,4′,6,6′-tetra-carboxy-2,2′-bipyridine and rare network topology","CrystEngComm","2008","10","8","1018","","10.1039/b801985a","","","0.71073","MoKα","","0.0651","0.065","","","0.1657","0.1657","","","","","","1.367","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7202088","7.6483","0.0004","30.7546","0.0016","11.2156","0.0006","90","","90","","90","","2638.1","0.2","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H20 Cd N4 O5 S -","- C20 H20 Cd N4 O5 S -","- C80 H80 Cd4 N16 O20 S4 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.0769","0.0609","","0.1579","0.1503","","","","1.156","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202194","7.1442","0.0004","19.4387","0.0015","17.3114","0.0012","90","","90","","90","","2404.1","0.3","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Copper(ii) Sulfate Complex with 1,4-bi(1,2,4-triazol-4- yl)benzene, Hexahydrate","Copper(II) Sulfate Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Hexahydrate","","- C10 H20 Cu N6 O10 S -","- C10 H8 Cu N6 O10 S -","- C40 H32 Cu4 N24 O40 S4 -","4","0.5","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0557","0.0438","","","0.113","0.1171","","","","","","0.994","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202206","9.4822","0.0009","16.0485","0.0014","8.9732","0.0008","90","","90","","90","","1365.5","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H9 Cu2 N10 Na -","- C7 H9 Cu2 N10 Na -","- C28 H36 Cu8 N40 Na4 -","4","0.5","","Li, Zhen; Li, Mian; Zhan, Shun-Ze; Huang, Xiao-Chun; Ng, Seik Weng; Li, Dan","Pcuversuslim nets: topological variation of cyano-bridged copper(I)-tetrazole coordination frameworks caused by Cu2(azole)2-SBU versatility","CrystEngComm","2008","10","8","978","","10.1039/b806768f","","","0.71073","MoKα","","0.0343","0.0289","","","0.0765","0.08","","","","","","1.018","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202434","7.346","0.005","29.04","0.02","7.46","0.006","90","","90","","90","","1591","2","299","2","299","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H14 Cd Cl4 N2 -","- C13 H14 Cd Cl4 N2 -","- C52 H56 Cd4 Cl16 N8 -","4","0.5","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0531","0.0415","","","0.1057","0.1137","","","","","","1.117","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202447","11.6011","0.0011","9.653","0.0008","13.9669","0.0012","90","","90","","90","","1564.1","0.2","200","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","dipiperazinium tetrachloride monohydrate","dipiperazinium tetrachloride monohydrate","","- C4 H13 Cl2 N2 O0.5 -","- C4 H13 Cl2 N2 O0.5 -","- C32 H104 Cl16 N16 O4 -","8","1","","Baisch, Ulrich; Rubini, Katia; Braga, Dario","Remarkable structural similarities between organic co-crystals and a metal‒organic coordination network—insights into hydrogen bonded aliphatic ammonium chlorides","CrystEngComm","2008","10","12","1939","","10.1039/b812892h","","","0.7107","MoKα","","0.0859","0.0449","","","0.0844","0.092","","","","","","0.888","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7202599","28.5307","0.0004","31.9677","0.0006","12.612","0.0002","90","","90","","90","","11502.9","0.3","120","2","120","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C35.66667 H35.66667 Cl2 N O3.66667 P2 Pd -","- C35.6667 H35.6667 Cl2 N O3.66667 P2 Pd -","- C428 H428 Cl24 N12 O44 P24 Pd12 -","12","1.5","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.0805","0.0455","","","0.1022","0.1114","","","","","","0.98","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7202607","19.631","0.004","17.047","0.003","10.506","0.002","90","","90","","90","","3515.8","1.2","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C35 H35 Cl2 N O4 P2 Pd S -","- C35 H35 Cl2 N O4 P2 Pd S -","- C140 H140 Cl8 N4 O16 P8 Pd4 S4 -","4","0.5","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.1096","0.0784","","","0.2041","0.2292","","","","","","1.028","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202674","12.7783","0.0009","24.5634","0.0018","29.317","0.002","90","","90","","90","","9202","1.1","85","2","85","2","","","","","","","","4","P n m a","-P 2ac 2n","62","NS6S (6-amino-3-pyridyl)ethynyl cavitand, glutaric acid","NS6S (6-amino-3-pyridyl)ethynyl cavitand, glutaric acid","","- C101.6 H111 N9 O16 -","- C102.1 H111.598 N9 O16 -","- C408.4 H446.392 N36 O64 -","4","0.5","","Christer Aakeröy; Nate Schultheiss; John Desper","Synthesis and hydrogen-bond capabilities of an amino-pyridine functionalized cavitand","CrystEngComm","2007","9","3","211","","10.1039/b618728e","","","0.71073","MoKα","","0.1589","0.0945","","","0.2654","0.3114","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202745","16.384","0.003","7.7447","0.0015","19.192","0.004","90","","90","","90","","2435.3","0.8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Et4N+, Ni(tfadt)2-","","","- C16 H20 F6 N3 Ni S4 -","- C16 F6 N3 Ni S4 -","- C64 F24 N12 Ni4 S16 -","4","0.5","","Olivier Jeannin; Rodolphe Clérac; Marc Fourmigué","Trifluoromethyl order?disorder transition in nickel dithiolene uniform spin chains","CrystEngComm","2007","9","6","488","","10.1039/b701480e","","","0.71073","MoKα","","0.1686","0.0806","","","0.2238","0.2721","","","","","","0.793","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202836","8.3698","0.0011","14.932","0.002","11.9038","0.0016","90","","90","","90","","1487.7","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 Br2 Hg N4 -","- C12 H10 Br2 Hg N4 -","- C48 H40 Br8 Hg4 N16 -","4","0.5","","Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Mercury(ii) coordination polymers generated from 1,4-bis(2 or 3 or 4-pyridyl)-2,3-diaza-1,3-butadiene ligands","CrystEngComm","2007","9","8","704","","10.1039/b702569f","","","0.71073","MoKα","","0.0323","0.0292","","","0.0761","0.0777","","","","","","1.059","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7203097","11.8672","0.0018","12.2217","0.0019","6.4287","0.001","90","","90","","90","","932.4","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Pyrazine-N,N'-dioxide","Pyrazine-N,N'-dioxide","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C32 H32 N16 O16 -","8","1","","Babu, N. Jagadeesh; Nangia, Ashwini","High Z′ polymorphs have shorter C‒H⋯O interactions and O‒H⋯O hydrogen bonds","CrystEngComm","2007","9","11","980","","10.1039/b711739f","","","0.71073","MoKα","","0.0874","0.0605","","","0.1439","0.1584","","","","","","1.151","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203119","7.8146","0.0014","30.306","0.005","13.253","0.002","90","","90","","90","","3138.7","0.9","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H12 Br I4 O2 S12 -","- C16 H8 Br I4 O2 S12 -","- C64 H32 Br4 I16 O8 S48 -","4","0.5","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.0752","0.0612","","","0.1787","0.188","","","","","","1.041","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203126","7.6827","0.0011","30.305","0.004","13.1946","0.0019","90","","90","","90","","3072","0.7","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H12 Cl I4 O2 S12 -","- C16 H8 Cl I4 O2 S12 -","- C64 H32 Cl4 I16 O8 S48 -","4","0.5","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.0485","0.0379","","","0.0914","0.0958","","","","","","1","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203392","14.023","0.009","12.02","0.02","9.949","0.005","90","","90","","90","","1677","3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H11 N3 O3 -","- C6 H11 N3 O3 -","- C48 H88 N24 O24 -","8","1","","Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; Rubini, Katia","Gas?solid reactions between the different polymorphic modifications of barbituric acid and amines","CrystEngComm","2006","8","10","756","","10.1039/b603910c","","","0.71073","MoKα","","0.1003","0.0617","","","0.1416","0.1661","","","","","","0.996","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203437","21.5398","0.0008","26.248","0.0008","17.1392","0.0007","90","","90","","90","","9690.1","0.6","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H51 N12 O14 Pr Ru1.5 -","- C39 H23 N12 O14 Pr Ru1.5 -","- C312 H184 N96 O112 Pr8 Ru12 -","8","1","","Baca, Svetlana G.; Adams, Harry; Ward, Michael D.","Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, lanthanide(iii) cations and ancillary oligopyridine ligands","CrystEngComm","2006","8","8","635","","10.1039/b605990m","","","0.71073","MoKα","","0.1216","0.0797","","","0.1964","0.2167","","","","","","1.102","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203448","13.015","0.002","9.581","0.003","32.611","0.006","90","","90","","90","","4066.5","1.6","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N'-dimethyl-4-((trimethylsilyl)ethynyl)-aniline","N,N'-dimethyl-4-[(trimethylsilyl)ethynyl]-aniline","","- C13 H19 N Si -","- C13 H19 N Si -","- C156 H228 N12 Si12 -","12","1.5","","Andrei S. Batsanov; Jonathan C. Collings; Richard M. Ward; Andrés E. Goeta; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Jonathan W. Steed; Todd B. Marder","Part 2. Structures of 4-trimethylsilylethynyl-<i>N</i>,<i>N</i>-dimethylaniline, and 4-ethynyl-<i>N</i>,<i>N</i>-dimethylaniline with <i>Z</i>′ = 12 and a single-crystal to single-crystal phase transition at 122.5 ± 2 K","CrystEngComm","2006","8","8","622","","10.1039/b606327f","","","0.71073","MoKα","","0.0506","0.0379","","","0.0952","0.1005","","","","","","1.009","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203836","5.6928","","7.733","","5.4179","","90","","90","","90","","238.509","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca Dy Mn O6 Sn -","- Ca Dy Mn O6 Sn -","- Ca2 Dy2 Mn2 O12 Sn2 -","2","0.25","","Abakumov, Artem M.; Rossell, Marta D.; Seryakov, Sergey A.; Rozova, Marina G.; Markina, Maria M.; Van Tendeloo, Gustaaf; Antipov, Evgeny V.","Synthesis and crystal structure of novel CaRMnSnO6(R = La, Pr, Nd, Sm‒Dy) double perovskites","Journal of Materials Chemistry","2005","15","46","4899","","10.1039/b510242a","powder diffraction","","1.5406","X-ray","","0.0415","0.0334","","","0.0171","0.0175","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203837","5.6701","","7.9022","","5.5545","","90","","90","","90","","248.876","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca La Mn O6 Sn -","- Ca La Mn O6 Sn -","- Ca2 La2 Mn2 O12 Sn2 -","2","0.25","","Abakumov, Artem M.; Rossell, Marta D.; Seryakov, Sergey A.; Rozova, Marina G.; Markina, Maria M.; Van Tendeloo, Gustaaf; Antipov, Evgeny V.","Synthesis and crystal structure of novel CaRMnSnO6(R = La, Pr, Nd, Sm‒Dy) double perovskites","Journal of Materials Chemistry","2005","15","46","4899","","10.1039/b510242a","powder diffraction","","1.5406","X-ray","","0.0422","0.0301","","","0.0133","0.0141","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203838","5.7186","","7.8408","","5.4918","","90","","90","","90","","246.244","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca Mn O6 Sm Sn -","- Ca Mn O6 Sm Sn -","- Ca2 Mn2 O12 Sm2 Sn2 -","2","0.25","","Abakumov, Artem M.; Rossell, Marta D.; Seryakov, Sergey A.; Rozova, Marina G.; Markina, Maria M.; Van Tendeloo, Gustaaf; Antipov, Evgeny V.","Synthesis and crystal structure of novel CaRMnSnO6(R = La, Pr, Nd, Sm‒Dy) double perovskites","Journal of Materials Chemistry","2005","15","46","4899","","10.1039/b510242a","powder diffraction","","1.5406","X-ray","","0.0362","0.0301","","","0.0119","0.0123","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203975","20.457","0.014","39.22","0.013","8.496","0.002","90","","90","","90","","6817","5","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","TBA[Ni(dfcvdt)2](COMe2)","","","- C67 H78 Fe4 N Ni O S8 -","- C67 H36 Fe4 N Ni O S8 -","- C268 H144 Fe16 N4 Ni4 O4 S32 -","4","0.5","","Lee, Ha-Jin; Noh, Dong-Youn","Syntheses, X-ray crystal structures and properties of di- and tetra-ferrocenyl nickel-bis(1,4-dithiin-5,6-dithiolate) complexes","Journal of Materials Chemistry","2000","10","9","2167","","10.1039/b001829p","","","0.71073","MoKα","","0.2474","0.1093","","","0.2571","0.3047","","","","","","1.037","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203993","9.5292","0.0019","13.975","0.003","10.241","0.002","90","","90","","90","","1363.8","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","5,6-bis(methylsulfanyl)[1,4]dithiino[2,3-b]quinoxaline","","- C12 H10 N2 S4 -","- C12 H10 N2 S4 -","- C48 H40 N8 S16 -","4","0.5","","Skabara, Peter J.; Berridge, Rory; Prescott, Karen; Goldenberg, Leonid M.; Ortí, Enrique; Viruela, Rafael; Pou-Amérigo, Rosendo; Batsanov, Andrei S.; Howard, Judith A. K.; Coles, Simon J.; Hursthouse, Michael B.","Experimental and theoretical studies into the structural perturbations between neutral, oxidised and reduced forms of 1,4-dithiinoquinoxaline derivatives","Journal of Materials Chemistry","2000","10","11","2448","","10.1039/b003910l","","","0.71073","MoKα","","0.0518","0.0443","","","0.1085","0.1126","","","","","","0.796","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7204046","11.4","0.001","10.852","0.001","13.354","0.0017","90","","90","","90","","1652.1","0.3","160","2","160","2","","","","","","","","6","P n m a","-P 2ac 2n","62","trimethylammonio-tempo hexafluorophosphate","N,N,N-trimethyl-(1-oxyl-2,2,6,6-tetramethylpiperidin-4-yl)ammonium hexafluorophosphate","","- C12 H26 F6 N2 O P -","- C12 H26 F6 N2 O P -","- C48 H104 F24 N8 O4 P4 -","4","0.5","","Aonuma, Shuji; Casellas, Helene; Faulmann, Christophe; Garreau de Bonneval, Benedicte; Malfant, Isabelle; Cassoux, Patrick; Lacroix, Pascal G.; Hosokoshi, Yuko; Inoue, Katsuya","Structure and properties of novel M(dmit)2 salts with the Me3N+­TEMPO cation radical (Me3N+­TEMPO = N,N,N­trimethyl(1­oxyl­2,2,6,6­tetramethylpiperidin­4­yl)ammonium)","Journal of Materials Chemistry","2001","11","2","337","","10.1039/b008424g","","","0.71073","MoKα","","0.0519","0.0453","","","0.113","0.117","","","","","","1.072","","","","has coordinates,has disorder","180371","2020-10-21","18:00:00",""
"7204060","11.731","0.004","35.41","0.02","8.609","0.003","90.03","0.04","89.99","0.03","90.06","0.04","3576","3","296.2","","296.2","","","","","","","","","6","P n m a","-P 2ac 2n","62","(BPT-TSF)2-FeCl4","","","- C24 H24 Cl4 Fe S4 Se8 -","- C26.34 Cl4 Fe S3.14 Se8 -","- C105.36 Cl16 Fe4 S12.56 Se32 -","4","0.5","","Jigami, Tetsuya; Kodani, Mie; Murakami, Satoshi; Takimiya, Kazuo; Aso, Yoshio; Otsubo, Tetsuo","Synthesis and properties of novel heterocycle-fused TTF-type electron donors: bis(propylenethio)tetrathiafulvalene (BPT-TTF), bis(propyleneseleno)tetrathiafulvalene (BPS-TTF), and their tetraselenafulvalene analogues (BPT-TSF and BPS-TSF)","Journal of Materials Chemistry","2001","11","4","1026","","10.1039/b009700o","","","0.7107","MoKα","","0.0671","0.0671","","","0.055","0.055","","","","","","4.389","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204353","8.1751","0.0004","12.6839","0.0009","11.4135","0.0007","89","","89","","90","","1183.13","0.13","93.2","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C14 H16 N4 -","- C14 H16 N4 -","- C56 H64 N16 -","4","0.5","","Satou, Teizi; Shinmyozu, Teruo","Synthesis and structural analysis of 2,11-diaza[3.3](3,5)pyridinophaneElectronic supplementary information (ESI) available: 3D coordinates for compounds 1 and 6 and for the three calculated conformers of compound 1 (1BB, 1CB and 1CC). See http://www.rsc.org/suppdata/p2/b2/b200402j/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","393","","10.1039/b200402j","","","0.7107","MoKα","","","0.0555","","","","0.1313","","","","","","0.851","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7204399","11.215","0.002","15.911","0.003","11.501","0.002","90","","90","","90","","2052.3","0.6","123","2","123","2","","","","","","","chemical synthesis","6","P n m a","-P 2ac 2n","62","","Toluene/nitrozonium hexachloroantimonate molecular complex 2:1","","- C14 H16 Cl6 N O Sb -","- C14 H16 Cl6 N O Sb -","- C56 H64 Cl24 N4 O4 Sb4 -","4","0.5","","Rosokha, S. V.; Lindeman, S. V.; Kochi, J. K.","Novel bis-arene (sandwich) complexes with NO+ acceptor. Isolation, X-ray crystallography and electronic structure","Journal of the Chemical Society, Perkin Transactions 2","2002","","8","1468","","10.1039/b202323g","","","0.71073","MoKα","","0.1657","0.061","","0.1186","0.0828","","","","1.093","1.168","1.168","","","","","has coordinates,has disorder","180374","2020-10-21","18:00:00",""
"7204422","17.923","0.005","14.449","0.002","4.086","0.001","90","","90","","90","","1058.1","0.4","289","2","289","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H6 N6 S -","- C10 H6 N6 S -","- C40 H24 N24 S4 -","4","0.5","","Volkova, Natalya N.; Tarasov, Evgeniy V.; Van Meervelt, Luc; Toppet, Suzanne; Dehaen, Wim; Bakulev, Vasiliy A.","Reaction of 5-halo-1,2,3-thiadiazoles with arylenediamines as a new approach to tricyclic 1,3,6-thiadiazepines","Journal of the Chemical Society, Perkin Transactions 1","2002","","13","1574","","10.1039/b203072a","","","0.71073","MoKα","","0.041","0.0339","","","0.088","0.0954","","","","","","1.113","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204536","14.3816","0.0012","9.289","0.0009","9.0729","0.0004","90","","90","","90","","1212.05","0.16","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","mfg221","","","- C12 H13 F2 N O S -","- C13 H13 F2 N O S -","- C52 H52 F8 N4 O4 S4 -","4","0.5","","Motherwell, William B.; Greaney, Michael F.; Edmunds, Jeremy J.; Steed, Jonathan W.","Fluorination of sulfanyl amides using difluoroiodoarene reagents","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2816","","10.1039/b209078c","","","0.71073","MoKα","","0.0721","0.0514","","","0.1049","0.1113","","","","","","1.102","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7204605","20.223","0.002","7.0107","0.0005","19.581","0.002","90","","90","","90","","2776.1","0.4","293","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H8 Cl O4 S5 -","- C9 H8 Cl O4 S5 -","- C72 H64 Cl8 O32 S40 -","8","1","","Philippe Leriche; Jean-Manuel Raimundo; Mathieu Turbiez; Vincent Monroche; Magali Allain; François-Xavier Sauvage; Jean Roncali; Pierre Frère; Peter J. Skabara","Linearly extended tetrathiafulvalene analogues with fused thiophene units as π-conjugated spacers","J. Mater. Chem.","2003","13","6","1324","1332","10.1039/b301149f","","","0.71073","MoKα","","0.1226","0.0502","","","0.0947","0.1117","","","","","","0.798","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204606","5.1167","","10.4646","","17.6228","","90","","90","","90","","943.599","","293","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li2 Mg2 Mo3 O12 -","- Li2.001 Mg1.999 Mo3 O12 -","- Li8.004 Mg7.996 Mo12 O48 -","4","0.5","","Sebastian, Litty; Piffard, Y.; Shukla, A. K.; Taulelle, F.; Gopalakrishnan, J.","Synthesis, structure and lithium-ion conductivity of Li2?2xMg2+x(MoO4)3 and Li3M(MoO4)3 (MIII = Cr, Fe)Electronic supplementary information (ESI) available: anisotropic displacement parameters and XRPD data for Li2Mg2(MoO4)3. See http://www.rsc.org/suppdata/jm/b3/b301189e/","Journal of Materials Chemistry","2003","13","7","1797","","10.1039/b301189e","","x-ray","0.71073","MoKα","","0.066","0.0308","","0.0251","0.024","","","","1.7","1.43","1.43","","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7204610","12.588","0.003","11.726","0.002","8.987","0.0018","90","","90","","90","","1326.5","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H11 Co F2 O6 -","- C14 H11 Co F2 O6 -","- C56 H44 Co4 F8 O24 -","4","0.5","","Braga, Dario; Maini, Lucia; Mazzotti, Michele; Rubini, Katia; Grepioni, Fabrizia","Reversible gas?solid reactions between the organometallic zwitterion [CoIII(?5-C5H4COOH)(?5-C5H4COO)] and vapours of difluoro- and chloro-acetic acids","CrystEngComm","2003","5","29","154","","10.1039/b301952g","","","0.71073","MoKα","","0.0692","0.0433","","","0.1155","0.1311","","","","","","1.032","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204614","17.682","0.004","6.0098","0.0012","5.1917","0.001","90","","90","","90","","551.7","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- As Cd H6 N O5 -","- As Cd N O5 -","- As4 Cd4 N4 O20 -","4","0.5","","Christopher D. Johnson; Janet M. S. Skakle; Magnus G. Johnston; Jörg Feldmann; Donald E. Macphee","Hydrothermal synthesis, crystal structure and aqueous stability of two cadmium arsenate phases, CdNH4(HAsO4)OH and Cd5H2(AsO4)4·4H2O","J. Mater. Chem.","2003","13","6","1429","1432","10.1039/b302154h","","","0.71073","MoKα","","0.0505","0.0303","","","0.0586","0.062","","","","","","0.923","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204678","10.423","0.004","7.033","0.003","8.951","0.004","90","","90","","90","","656.2","0.5","183","2","183","2","","","","","","","","3","P n m a","-P 2ac 2n","62","4-ethynylaniline","4-ethynylaniline","","- C8 H7 N -","- C8 H7 N -","- C32 H28 N4 -","4","0.5","","Dey, Archan; Jetti, Ram K. R.; Boese, Roland; Desiraju, Gautam R.","Supramolecular equivalence of halogen, ethynyl and hydroxy groups. A comparison of the crystal structures of some 4-substituted anilines","CrystEngComm","2003","5","43","248","","10.1039/b304785g","","","0.71073","MoKα","","0.0605","0.0544","","","0.1528","0.1641","","","","","","1.057","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204679","8.594","0.002","7.6166","0.0019","9.469","0.002","90","","90","","90","","619.8","0.2","203","2","203","2","","","","","","","","4","P n m a","-P 2ac 2n","62","4-bromoaniline","4-bromoaniline","","- C6 H5 Br N -","- C6 H5 Br N -","- C24 H20 Br4 N4 -","4","0.5","","Dey, Archan; Jetti, Ram K. R.; Boese, Roland; Desiraju, Gautam R.","Supramolecular equivalence of halogen, ethynyl and hydroxy groups. A comparison of the crystal structures of some 4-substituted anilines","CrystEngComm","2003","5","43","248","","10.1039/b304785g","","","0.71073","MoKα","","0.0581","0.037","","","0.0929","0.1071","","","","","","1.108","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7205400","11.552","0.001","8.0069","0.0007","5.8733","0.0004","90","","90","","90","","543.26","0.08","220","0.1","220","0.1","100","","100","","","","","3","P n m a","-P 2ac 2n","62","1,1,1-trichloroethane","1,1,1-trichloroethane","","- C2 H3 Cl3 -","- C2 H3 Cl3 -","- C8 H12 Cl12 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Crystalline gas of 1,1,1-trichloroethane","CrystEngComm","2011","13","2","396","","10.1039/c0ce00493f","","","0.71073","MoKα","","0.0432","0.0329","","","0.0837","0.0866","","","","","","0.999","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205401","11.266","0.002","7.748","0.008","5.7183","0.0012","90","","90","","90","","499.1","0.5","295","2","295","2","750000","","750000","","","","","3","P n m a","-P 2ac 2n","62","1,1,1-trichloroethane","1,1,1-trichloroethane","","- C2 H3 Cl3 -","- C2 H3 Cl3 -","- C8 H12 Cl12 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Crystalline gas of 1,1,1-trichloroethane","CrystEngComm","2011","13","2","396","","10.1039/c0ce00493f","","","0.71073","MoKα","","0.0628","0.0586","","","0.113","0.1141","","","","","","1.256","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205402","11.0912","0.0019","7.588","0.007","5.6253","0.001","90","","90","","90","","473.4","0.5","295","2","295","2","1150000","","1150000","","","","","3","P n m a","-P 2ac 2n","62","1,1,1-trichloroethane","1,1,1-trichloroethane","","- C2 H3 Cl3 -","- C2 H3 Cl3 -","- C8 H12 Cl12 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Crystalline gas of 1,1,1-trichloroethane","CrystEngComm","2011","13","2","396","","10.1039/c0ce00493f","","","0.71073","MoKα","","0.0516","0.0475","","","0.1314","0.1386","","","","","","1.223","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205403","10.914","0.002","7.414","0.006","5.535","0.001","90","","90","","90","","447.9","0.4","295","2","295","2","2150000","","2150000","","","","","3","P n m a","-P 2ac 2n","62","1,1,1-trichloroethane","1,1,1-trichloroethane","","- C2 H3 Cl3 -","- C2 H3 Cl3 -","- C8 H12 Cl12 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Crystalline gas of 1,1,1-trichloroethane","CrystEngComm","2011","13","2","396","","10.1039/c0ce00493f","","","0.71073","MoKα","","0.0595","0.0576","","","0.1222","0.1248","","","","","","1.136","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205467","16.3268","0.0005","22.014","0.0008","5.3481","0.0001","90","","90","","90","","1922.2","0.1","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H18 O2 S2 -","- C24 H18 O2 S2 -","- C96 H72 O8 S8 -","4","0.5","","Jali, Bigyan R.; Singh, Marjit W.; Baruah, J. B.","Polymorphs of aromatic thiolato 1, 2 or 1,4-naphthoquinones","CrystEngComm","2011","13","3","763","","10.1039/c0ce00591f","","","0.71073","MoKα","","0.178","0.0807","","","0.2293","0.2911","","","","","","1.025","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205845","11.64","0.002","20.436","0.004","9.7263","0.0019","90","","90","","90","","2313.6","0.8","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H30 N4 O4 Zn -","- C24 H29 N4 O4 Zn -","- C96 H116 N16 O16 Zn4 -","4","0.5","","Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang","From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands","CrystEngComm","2011","13","7","2542","","10.1039/c0ce00878h","","","0.71073","MoKα","","0.0576","0.0509","","","0.1194","0.1234","","","","","","1.055","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205875","24.3342","0.0013","22.3283","0.0012","14.4168","0.0008","90","","90","","90","","7833.2","0.7","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C54 H96 Br6 Cl4 Cu7 N20 O12 -","- C48 H68 Br6 Cl4 Cu7 N18 O10 -","- C192 H272 Br24 Cl16 Cu28 N72 O40 -","4","0.5","","Xu, Yanqing; Xia, Peilei; Wang, Xiuteng; Wei, Wei; Zhang, Fanzhou; Hu, Changwen","Positional disorder of Cu(ii) ions in a cluster: a novel heptanuclear Cu(ii) core supported by 4-bromo-3,5-dimethylpyrazolate","CrystEngComm","2011","13","8","2820","","10.1039/c0ce00933d","","","0.71073","MoKα","","0.0703","0.0462","","","0.1261","0.1417","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205904","24.862","0.005","31.758","0.006","20.555","0.004","90","","90","","90","","16230","5","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C99 H99 Bi8 I33 N18 -","- C99 H99 Bi8 I33 N18 -","- C396 H396 Bi32 I132 N72 -","4","0.5","","Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping","Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties.","Physical chemistry chemical physics : PCCP","2011","13","13","5659","5667","10.1039/c0cp02431g","","","0.71073","MoKα","","0.1118","0.0893","","","0.1949","0.2076","","","","","","1.189","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205905","8.4498","0.0017","31.165","0.006","21.534","0.004","90","","90","","90","","5670.7","1.9","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H39 Bi2.67 I11 N6 -","- C36 H39 Bi2.667 I11 N6 -","- C144 H156 Bi10.668 I44 N24 -","4","0.5","","Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping","Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties.","Physical chemistry chemical physics : PCCP","2011","13","13","5659","5667","10.1039/c0cp02431g","","","0.71073","MoKα","","0.0767","0.063","","","0.1736","0.1842","","","","","","1.14","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205950","27.198","0.005","13.261","0.003","13.222","0.003","90","","90","","90","","4768.8","1.8","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H58 Br8 Cd3 N10 O13 S4 -","- C18 H48 Br8 Cd3 N10 O13 S4 -","- C72 H192 Br32 Cd12 N40 O52 S16 -","4","0.5","","Jin, Juan; Jia, Ming-Jun; Peng, Yu; Yu, Jie-Hui; Xu, Ji-Qing","New organically decorated cadmium halides incorporating the second or the third inorganic anionic groups","CrystEngComm","2011","13","8","2942","","10.1039/c1ce05038a","","","0.71073","MoKα","","0.0558","0.0435","","","0.1119","0.1167","","","","","","1.035","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7206141","9.5397","0.001","11.3337","0.0011","17.3668","0.0016","90","","90","","90","","1877.7","0.3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H14 I4 N2 -","- C12 H14 I4 N2 -","- C48 H56 I16 N8 -","4","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0217","0.0169","","","0.036","0.037","","","","","","1.099","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206182","23.702","0.003","33.368","0.005","20.051","0.003","90","","90","","90","","15858","4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C104 H164 I6 K6 N60 O67 -","- C104 H102 I6 K6 N60 O47 -","- C416 H408 I24 K24 N240 O188 -","4","0.5","","Feng, Xing; Chen, Kai; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qiang-Jiang; Tao, Zhu; Day, Anthony I.","Stable cucurbit[5]uril MOF structures as ‘beaded’ rings built on a p-hydroxybenzoic acid template—a small molecule absorption material","CrystEngComm","2011","13","16","5049","","10.1039/c1ce05051f","","","0.71073","MoKα","","0.1064","0.0575","","","0.1411","0.1582","","","","","","1.034","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206482","7.403","0.0005","16.486","0.001","18.0343","0.0011","90","","90","","90","","2201","0.2","180","","180","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C22 H24 Cu K N3 O4 S -","- C22 H24 Cu K N3 O4 S -","- C88 H96 Cu4 K4 N12 O16 S4 -","4","0.5","","Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal","Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands","CrystEngComm","2011","13","19","5908","","10.1039/c1ce05127j","","","0.71073","MoKα","","0.045","0.0317","","0.0459","0.0385","0.0373","","","","","","1.0364","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206486","16.654","0.003","14.174","0.003","11.524","0.002","90","","90","","90","","2720.3","0.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H28 Co N6 O8 -","- C25 H28 Co N6 O8 -","- C100 H112 Co4 N24 O32 -","4","0.5","","Mu, Yajuan; Han, Gang; Ji, Shuying; Hou, Hongwei; Fan, Yaoting","Coordination polymers based on a flexible bis(triazole) ligand and aromatic polycarboxylate anions: syntheses, topological structures and photoluminescent properties","CrystEngComm","2011","13","19","5943","","10.1039/c1ce05129f","","","0.71073","MoKα","","0.0575","0.0545","","","0.112","0.1136","","","","","","1.218","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206541","25.783","0.002","11.8912","0.0008","14.6506","0.0011","90","","90","","90","","4491.7","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","((CH3CH2)4N)3(Ag6Br5.61(CN)3.39)","[(CH3CH2)4N]3[Ag6Br5.61(CN)3.39]","","- C27.39 H60 Ag6 Br5.61 N6.39 -","- C27.3848 H60 Ag6 Br5.6152 N6.3848 -","- C109.539 H240 Ag24 Br22.4608 N25.5392 -","4","0.5","","Lu, Ying-Bing; Cai, Li-Zhen; Zou, Jian-Ping; Liu, Xi; Guo, Guo-Cong; Huang, Jin-Shun","Two novel halogeno(cyano)argentates built by silver halide clusters: molecular structures and luminescent properties","CrystEngComm","2011","13","19","5724","","10.1039/c1ce05497j","","","0.71073","MoKα","","0.0598","0.0477","","","0.1441","0.1531","","","","","","1.05","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7206626","8.506","0.002","17.003","0.004","10.491","0.003","90","","90","","90","","1517.3","0.7","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H18 N6 Ni O7 S -","- C8 H18 N6 Ni O7 S -","- C32 H72 N24 Ni4 O28 S4 -","4","0.5","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.068","0.0534","","","0.1296","0.1393","","","","","","1.071","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206629","8.5182","0.0011","17.061","0.002","10.5318","0.0014","90","","90","","90","","1530.6","0.3","150","2","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H18 Co N6 O7 S -","- C8 H18 Co N6 O7 S -","- C32 H72 Co4 N24 O28 S4 -","4","0.5","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MOKα","","0.05","0.0359","","","0.0792","0.0855","","","","","","1.051","","","","has coordinates","192782","2020-10-21","18:00:00",""
"7206816","17.379","0.005","9.906","0.005","22.043","0.005","90","0.005","90","0.005","90","0.005","3795","2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H8 In N0 O8 -","- C17 H8 In O8 -","- C68 H32 In4 O32 -","4","0.5","","Xiong, Shunshun; Li, Shujuan; Wang, Sujing; Wang, Zhiyong","Multi-functional metal‒organic frameworks based on H4mdip: Crystal structure, photoluminescence, selective ion-exchange and catalysis","CrystEngComm","2011","13","24","7236","","10.1039/c1ce05751k","","","1.54184","CuKα","","0.0851","0.0695","","","0.1774","0.1812","","","","","","1.027","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7207033","5.9716","0.0012","28.516","0.006","7.5076","0.0015","90","","90","","90","","1278.4","0.5","294","2","294","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H11 In O6 -","- C14 H11 In O6 -","- C56 H44 In4 O24 -","4","0.5","","Zhou, Guangpeng; Yang, Yulin; Fan, Ruiqing; Cao, Wenwu; Yang, Bin","From two-dimensional trapezoid-like layer to three-dimensional porous indium-4,4′-biphenyldicarboxylate MOFs","CrystEngComm","2012","14","1","193","","10.1039/c1ce05841j","","","0.71073","MoKα","","0.0394","0.0366","","","0.1212","0.1228","","","","","","1.019","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207117","8.137","0.0016","14.468","0.003","10.377","0.002","90","","90","","90","","1221.6","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H7 Cl2 N O5 Pb -","- C9 H7 Cl2 N O5 Pb -","- C36 H28 Cl8 N4 O20 Pb4 -","4","0.5","","Liu, Yi; Wei Tan, Melvin Jun; Wei, Fengxia; Tian, Yufeng; Wu, Tom; Kloc, Christian; Huo, Fengwei; Yan, Qingyu; Hng, Huey Hoon; Ma, Jan; Zhang, Qichun","In situ formation of new organic ligands to construct two novel self-charge-transfer Pb(ii)-based frameworks","CrystEngComm","2012","14","1","75","","10.1039/c1ce06006f","","","0.71073","MoKα","","0.0467","0.0278","","","0.0657","0.073","","","","","","0.984","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7207143","5.0975","0.0003","11.4735","0.0006","29.143","0.002","90","","90","","90","","1704.46","0.18","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H27 N2 O13 Zn -","- C11 H17 N2 O8 Zn -","- C44 H68 N8 O32 Zn4 -","4","0.5","","Kong, Guo-Qiang; Wu, Chuan-De","Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties","CrystEngComm","2012","14","3","847","","10.1039/c1ce06052j","","","0.71073","MoKα","","0.0891","0.0766","","","0.2013","0.2084","","","","","","1.015","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207274","18.912","0.0018","7.5956","0.0008","13.8924","0.0014","90","","90","","90","","1995.6","0.3","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H9 Cd2 Cl2 N12 O0.5 -","- C10 H8 Cd2 Cl2 N12 O0.5 -","- C40 H32 Cd8 Cl8 N48 O2 -","4","0.5","","Cui, Yan-Feng; Qian, Xin; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","A polythreading coordination array formed from a 3D microporous cation network and 1D anion ladders","CrystEngComm","2012","14","4","1201","","10.1039/c2ce06397b","","","0.71075","MoKα","","0.0639","0.0545","","","0.1649","0.173","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207484","10.3053","0.0012","20.118","0.002","5.5119","0.0004","90","","90","","90","","1142.74","0.19","180","0.2","180","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","dichloromethane cyclobutanone co-crystal","dichloromethane cyclobutanone clathrate (1:2)","","- C9 H14 Cl2 O2 -","- C9 H14 Cl2 O2 -","- C36 H56 Cl8 O8 -","4","0.5","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","","0.71073","MoKα","","0.0555","0.0325","","","0.073","0.0792","","","","","","1.072","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207611","17.0461","0.0006","21.6229","0.0009","9.8505","0.0004","90","","90","","90","","3630.8","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H33 Br2 Cu6 N13 -","- C7 Br2 Cu6 N7 -","- C28 Br8 Cu24 N28 -","4","0.5","","Ding, Rui; Zhai, Quan-Guo; Niu, Jing-Ping; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Crystalline 3D open-framework halogeno(cyano)cuprates synthesized in ionic liquids","CrystEngComm","2012","14","8","2626","","10.1039/c2ce06508h","","","0.71073","MoKα","","0.086","0.0595","","","0.1401","0.1507","","","","","","1.01","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207880","15.6189","0.0009","11.2218","0.0007","9.7123","0.0006","90","","90","","90","","1702.3","0.18","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H6 Ag2 Cl2 N8 O8 -","- C10 H6 Ag2 Cl2 N8 O8 -","- C40 H24 Ag8 Cl8 N32 O32 -","4","0.5","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.0429","0.04","","","0.106","0.109","","","1.122","","","1.082","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207881","10.484","0.002","16.466","0.003","18.343","0.004","90","","90","","90","","3166.5","1.1","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H9 Ag Cl N9 O4 -","- C12 H9 Ag Cl N9 O4 -","- C96 H72 Ag8 Cl8 N72 O32 -","8","1","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.1061","0.0603","","","0.1457","0.176","","","1.008","","","1.009","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208208","14.4403","0.0004","27.2329","0.0006","9.8291","0.0003","90","","90","","90","","3865.31","0.18","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C42 H30 Cd4 O17 -","- C42 H30.002 Cd4.0004 O17.002 -","- C168 H120.008 Cd16.0016 O68.008 -","4","0.5","","Fang, Shao-Ming; Chen, Min; Yang, Xiao-Gang; Wang, Cong; Du, Miao; Liu, Chun-Sen","An unusual (4,10)-connected 3-D metal‒organic framework based on non-planar tricarboxyl tecton and tetracadmium(ii) secondary building units","CrystEngComm","2012","14","16","5299","","10.1039/c2ce25194a","","","1.54178","CuKα","","0.0706","0.063","","","0.1528","0.1578","","","","","","1.109","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208246","13.552","0.003","15.623","0.003","7.5203","0.0015","90","","90","","90","","1592.2","0.6","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H7 Li2 O7 S -","- C3 H7 Li2 O7 S -","- C24 H56 Li16 O56 S8 -","8","1","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0363","0.0328","","","0.0902","0.0951","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208284","17.441","0.005","35.188","0.005","17.398","0.005","90","","90","","90","","10677","5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C85 H107 N7 O42 Zn9 -","- C55 H39 N2 O38.3 Zn9 -","- C220 H156 N8 O153.2 Zn36 -","4","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","","0.082","0.0541","","","0.1557","0.1672","","","","","","0.951","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208466","10.0266","0.0002","21.0636","0.0006","16.6202","0.0004","90","","90","","90","","3510.12","0.15","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C33 H24 Cd3 N8 O15 -","- C33 H8 Cd3 N8 O15 -","- C132 H32 Cd12 N32 O60 -","4","0.5","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0536","0.0446","","","0.1018","0.1065","","","","","","1.11","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208531","18.938","0.019","11.841","0.011","4.309","0.006","90","","90","","90","","966.3","1.9","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","0.5","","Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Barbas, Rafael; Alcobé, Xavier; Font-Bardia, Mercè; Tomàs, Salvador","Cooperative induction in double H-bonding donor/acceptor compounds: Chains vs. ribbons","CrystEngComm","2012","14","18","5745","","10.1039/c2ce25576f","","","0.71073","MoKα","","0.1362","0.0764","","","0.1836","0.21","","","","","","1.18","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208601","8.3457","0.0001","26.4224","0.0002","5.3071","0.0006","90","","90","","90","","1170.29","0.13","180","2","180","2","","","","","","","","5","P n m a","-P 2ac 2n","62","N,N'-bis(4-fluorophenyl)thiourea","N,N'-bis(4-fluorophenyl)thiourea","","- C13 H10 F2 N2 S -","- C13 H10 F2 N2 S -","- C52 H40 F8 N8 S4 -","4","0.5","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","","","0.71073","MoKα","","0.0559","0.0364","","","0.0856","0.0924","","","","","","1.065","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208615","17.573","0.004","17.51","0.004","6.8305","0.0014","90","","90","","90","","2101.8","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H28 Ba N2 O12 -","- C12 H28 Ba N2 O12 -","- C48 H112 Ba4 N8 O48 -","4","0.5","","Fu, Da-Wei; Zhang, Yi; Cai, Hong-Ling; Zhu, Hao-miao; Chen, Xue-yuan; Xiong, Ren-Gen","The first example of a molecule-based ferroelectric with barium cation: catena-(μ2-nitrito-O,O)-bi-aqua-(18-crown-6)-barium nitrite","Journal of Materials Chemistry","2012","22","34","17525","","10.1039/c2jm32662k","","","0.71073","MoKα","","0.0737","0.058","","","0.142","0.1541","","","","","","1.144","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208617","9.7136","0.0019","13.824","0.003","11.003","0.002","90","","90","","90","","1477.5","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- O18 P3 Pb3 V3 -","- O18 P3 Pb3 V3 -","- O72 P12 Pb12 V12 -","4","0.5","","Chen, Yan; Liu, Tao; He, Cheng; Duan, Chunying","Mild hydrothermal synthesis, structure and characterization of the vanadyl phosphate hydrate Pb(VOPO4)2·3H2O: the formation of spin dimers in a three dimensional crystal structure","Journal of Materials Chemistry","2012","22","37","19872","","10.1039/c2jm32976j","","","0.71073","MoKα","","0.0545","0.0385","","","0.0801","0.0866","","","","","","1.114","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208714","7.6572","0.0015","18.782","0.004","8.4532","0.0017","90","","90","","90","","1215.7","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H16 Cd Cl4 N2 -","- C6 H16 Cd Cl4 N2 -","- C24 H64 Cd4 Cl16 N8 -","4","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0168","0.0158","","","0.0378","0.0381","","","","","","1.179","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7209029","14.2517","0.0008","8.1077","0.0006","8.9124","0.0006","90","","90","","90","","1029.81","0.12","90","2","90","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C44 H36 N12 O4 -","4","0.5","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0397","0.0384","","","0.0942","0.0952","","","","","","1.07","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209161","18.9143","0.0007","21.0884","0.0009","5.2773","0.0002","90","","90","","90","","2104.97","0.14","100","2","100","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","","","","- C15 H24 O9 S3 -","- C15 H24 O9 S3 -","- C60 H96 O36 S12 -","4","0.5","","Davey, Roger J.; Brychczynska, Monika; Sadiq, Ghazala; Dent, Geoffrey; Pritchard, Robin G.","Crystallising trimesic acid from DMSO solutions ‒ can crystallography teach us anything about the process of crystal nucleation?","CrystEngComm","2013","15","5","856","","10.1039/c2ce26712h","","x-ray","0.71073","MoKα","","0.1439","0.088","","","0.176","0.2067","","","","","","1.021","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209257","24.429","0.004","33.425","0.005","20.004","0.003","90","","90","","90","","16334","4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C96 H194 I6 K6 N60 O76 -","- C96 H103 I6 K6 N60 O34 -","- C384 H412 I24 K24 N240 O136 -","4","0.5","","Li, Zhong-Fei; Liang, Li-Li; Wu, Feng; Zhou, Fa-Gen; Ni, Xin-Long; Feng, Xing; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Clegg, Jack K.; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","An approach to networks based on coordination of alkyl-substituted cucurbit[5]urils and potassium ions","CrystEngComm","2013","15","10","1994","","10.1039/c3ce26491b","","","0.71073","MoKα","","0.1146","0.0672","","","0.1956","0.212","","","","","","1.088","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209293","16.9","0.02","27.54","0.03","8.179","0.01","90","","90","","90","","3807","8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C37 H56 Cu I N4 O2 -","- C37 H56 Cu I N4 O2 -","- C148 H224 Cu4 I4 N16 O8 -","4","0.5","","Wang, Wenlong; Zhang, Guodong; Lang, Rui; Xia, Chungu; Li, Fuwei","pH-Responsive N-heterocyclic carbene copper(i) complexes: syntheses and recoverable applications in the carboxylation of arylboronic esters and benzoxazole with carbon dioxide","Green Chemistry","2013","15","3","635","","10.1039/c3gc36830k","","","0.71073","MoKα","","0.182","0.1183","","","0.261","0.2871","","","","","","1.112","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209313","21.073","","4.0166","","4.0781","","90","","90","","90","","345.178","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pr Ag As2","","- Ag As2 Pr -","- Ag As2 Pr -","- Ag4 As8 Pr4 -","4","0.5","","Jeitschko, W.; Eschen, M.","Preparation and crystal structures of ternary rare earth silver andgold arsenides Ln Ag As2 and Ln Au As2 with Ln = La - Nd, Sm, Gd and Tb","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2003","58","","399","409","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209337","6.201","","6.701","","12.675","","90","","90","","90","","526.683","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ag Hg2 O2 (N O3)","","- Ag Hg2 N O5 -","- Ag Hg2 N O5 -","- Ag4 Hg8 N4 O20 -","4","0.5","","Mormann, T.J.; Jeitschko, W.","The silver(I) mercury(II) oxide nitrate with the empirical formula Ag Hg2 N O5","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1999","54","","1489","1494","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209384","7.552","","4.722","","8.423","","90","","90","","90","","300.369","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Eu Au In","","- Au Eu In -","- Au Eu In -","- Au4 Eu4 In4 -","4","0.5","","Poettgen, R.","Metamagnetism in Eu Pd In and Eu Au In","Journal of Materials Chemistry","1996","6","","63","67","10.1039/jm9960600063","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209449","15.9301","","7.4023","","12.2638","","90","","90","","90","","1446.14","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dy (B O2)3","","- B3 Dy O6 -","- B3 Dy O6 -","- B48 Dy16 O96 -","16","2","","Emme, H.; Moeller, M.H.; Nikelski, T.; Poettgen, R.; Huppertz, H.; Schleid, T.","High-pressure synthesis, crystal structure and properties of the new orthorhombic rare-earth meta-oxoborates RE (B O2)3 (RE = Dy - Lu)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","202","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209450","15.8759","","7.3804","","12.1885","","90","","90","","90","","1428.13","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Er (B O2)3","","- B3 Er O6 -","- B3 Er O6 -","- B48 Er16 O96 -","16","2","","Huppertz, H.; Emme, H.; Moeller, M.H.; Schleid, T.; Nikelski, T.; Poettgen, R.","High-pressure synthesis, crystal structure and properties of the new orthorhombic rare-earth meta-oxoborates RE (B O2)3 (RE = Dy - Lu)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","202","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209451","15.919","","7.3952","","12.2334","","90","","90","","90","","1440.17","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ho (B O2)3","","- B3 Ho O6 -","- B3 Ho O6 -","- B48 Ho16 O96 -","16","2","","Huppertz, H.; Emme, H.; Moeller, M.H.; Schleid, T.; Poettgen, R.; Nikelski, T.","High-pressure synthesis, crystal structure and properties of the new orthorhombic rare-earth meta-oxoborates RE (B O2)3 (RE = Dy - Lu)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","202","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209452","15.7674","","7.3467","","12.1153","","90","","90","","90","","1403.42","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lu (B O2)3","","- B3 Lu O6 -","- B3 Lu O6 -","- B48 Lu16 O96 -","16","2","","Poettgen, R.; Huppertz, H.; Nikelski, T.; Emme, H.; Moeller, M.H.; Schleid, T.","High-pressure synthesis, crystal structure and properties of the new orthorhombic rare-earth meta-oxoborates RE (B O2)3 (RE = Dy - Lu)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","202","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209454","15.816","","7.3616","","12.1623","","90","","90","","90","","1416.07","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tm (B O2)3","","- B3 O6 Tm -","- B3 O6 Tm -","- B48 O96 Tm16 -","16","2","","Moeller, M.H.; Schleid, T.; Emme, H.; Nikelski, T.; Poettgen, R.; Huppertz, H.","High-pressure synthesis, crystal structure and properties of the new orthorhombic rare-earth meta-oxoborates RE (B O2)3 (RE = Dy - Lu)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","202","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209459","12.4282","","4.1675","","9.2076","","90","","90","","90","","476.903","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sr2 Cl (B N2)","","- B Cl N2 Sr2 -","- B Cl N2 Sr2 -","- B4 Cl4 N8 Sr8 -","4","0.5","","Meyer, H.J.; Reckeweg, O.","Asymmetric B N3-ions in the structures of Ca2 Cl B N2 and Sr2 Cl B N2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","340","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209460","9.281","","3.111","","9.401","","90","","90","","90","","271.437","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Co1.50 Ti.50) (B O3) O","","- B Co1.5 O4 Ti0.5 -","- B Co1.5 O4 Ti0.5 -","- B4 Co6 O16 Ti2 -","4","0.5","","Bluhm, K.; Utzolino, A.","Die Synthese und Kristallstruktur von cobalthaltigen Boratoxiden: Co1,5 Ti0,5 (B O3) O und Co1.5 Zr0.5 (B O3) O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1653","1657","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209461","9.495","","3.234","","9.347","","90","","90","","90","","287.017","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Co1.5 Zr0.5) (B O3) O","","- B Co1.5 O4 Zr0.5 -","- B Co1.5 O4 Zr0.5 -","- B4 Co6 O16 Zr2 -","4","0.5","","Bluhm, K.; Utzolino, A.","Die Synthese und Kristallstruktur von cobalthaltigen Boratoxiden: Co1,5 Ti0,5 (B O3) O und Co1.5 Zr0.5 (B O3) O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1653","1657","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209462","9.8552","","8.4007","","4.4138","","90","","90","","90","","365.421","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cr3 (B O6)","","- B Cr3 O6 -","- B Cr3 O6 -","- B4 Cr12 O24 -","4","0.5","","Nazar, L.F.; Rowsell, J.L.C.","Synthesis, structure, and solid-state electrochemical properties of Ce3 B O6: a new chromium(III) borate with the norbergite structure","Journal of Materials Chemistry","2001","11","","3228","3233","10.1039/b100707f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209463","10.004","","8","","8.082","","90","","90","","90","","646.819","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li2 Cs (B S3)","","- B Cs Li2 S3 -","- B Cs Li2 S3 -","- B4 Cs4 Li8 S12 -","4","0.5","","Krebs, B.; Kueper, J.; Kuchinke, J.","Novel thioborates of cesium: Cs3 B S3 and Li2 Cs B S3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","1433","1438","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209465","9.3992","","3.1941","","9.3911","","90","","90","","90","","281.939","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Fe Mn (B O3) O","","- B Fe Mn O4 -","- B Fe Mn O4 -","- B4 Fe4 Mn4 O16 -","4","0.5","","Bluhm, K.; Utzolino, A.","Zur Synthese und Kristallstruktur von manganhaltigen Boratoxiden: Mn Fe (B O3) O und Mn Al0.5 Y0.5 (B O3) O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1146","1150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209466","9.2462","","3.141","","9.353","","90","","90","","90","","271.633","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Zn Fe (B O3) O","","- B Fe O4 Zn -","- B Fe O4 Zn -","- B4 Fe4 O16 Zn4 -","4","0.5","","Busche, S.; Bluhm, K.","Zur Synthese und Kristallstruktur von Zinkboratoxiden mit isolierten, trigonalen planaren BO3-Baugruppen: Zn5Mn(BO3)2O4 und ZnFe(BO3)O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1450","1454","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209470","5.7351","","5.0564","","8.0916","","90","","90","","90","","234.648","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Nd (B O3)","","- B Nd O3 -","- B Nd O3 -","- B4 Nd4 O12 -","4","0.5","","Schleid, T.; Mueller-Bunz, H.; Nikelski, T.","Einkristalle des Neodym(III)-meta-Borats Nd (B O2)3 und -ortho-Borats Nd (B O3)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2003","58","","375","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209819","6.6796","0.0002","7.6493","0.0003","10.2128","0.0005","90","","90","","90","","521.82","0.04","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","2,3,5,6-tetrafluoropyridine","","","- C5 H F4 N -","- C5 H F4 N -","- C20 H4 F16 N4 -","4","0.5","","Stammler, Hans-Georg; Vishnevskiy, Yury V.; Sicking, Constantin; Mitzel, Norbert W.","Charge density studies on 2,3,5,6-tetrafluoro- and pentafluoropyridine","CrystEngComm","2013","15","18","3536","","10.1039/c3ce40332g","","","0.71073","MoKα","","0.041","0.0202","","","","0.0221","0.0184","","","","","2.106","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209924","13.9731","0.0004","26.4604","0.0007","19.5809","0.0006","90","","90","","90","","7239.7","0.4","100.1","","100.1","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H18 La2 O51 S12 -","- C36 H18 La2 O51 S12 -","- C144 H72 La8 O204 S48 -","4","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0455","","","","0.1257","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209925","13.916","0.0008","26.5308","0.0013","19.3049","0.0011","90","","90","","90","","7127.4","0.7","110.1","","110.1","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H18 Ce2 O47 S12 -","- C36 H18 Ce2 O47 S12 -","- C144 H72 Ce8 O188 S48 -","4","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0722","","","","0.2427","","","","","","1.126","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210481","14.3152","0.0016","18.995","0.002","12.6405","0.0014","90","","90","","90","","3437.2","0.7","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H32 Cu2 N4 O16 -","- C32 H32 Cu2 N4 O16 -","- C128 H128 Cu8 N16 O64 -","4","0.5","","Wang, Xiu-Li; Lin, Hong-Yan; Mu, Bao; Tian, Ai-Xiang; Liu, Guo-Cheng; Hu, Ning-Hai","Copper(ii) metal‒organic networks derived from bis(pyridylformyl)piperazine ligands and aromatic polycarboxylates: 2D layered structures and a novel 3,5-connected binodal 3D topology","CrystEngComm","2011","13","6","1990","","10.1039/c0ce00400f","","","0.71073","MoKα","","0.0769","0.0403","","","0.0985","0.1163","","","","","","1.007","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210550","7.1319","0.0014","24.327","0.005","18.849","0.004","90","","90","","90","","3270.3","1.2","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H27 Na2 O16.5 Zn2 -","- C27 H22 Na2 O16.5 Zn2 -","- C108 H88 Na8 O66 Zn8 -","4","0.5","","Bo, Qi-Bing; Zhang, Zhen-Wei; Miao, Jin-Ling; Wang, Da-Qi; Sun, Guo-Xin","Novel metal‒organic frameworks (MOFs) based on heterometallic nodes and 5-methylisophthalate linkers","CrystEngComm","2011","13","6","1765","","10.1039/c0ce00811g","","","0.71073","MoKα","","0.103","0.0651","","","0.1675","0.1974","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210937","18.4701","0.0016","44.767","0.005","7.2462","0.0008","90","","90","","90","","5991.5","1.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C70 H60 Cd2 N2 O17 -","- C70 H44 Cd2 N2 O17 -","- C280 H176 Cd8 N8 O68 -","4","0.5","","Yu, Fan; Zhang, Yu-Min; Guo, Yan-Hua; Li, Ai-Hua; Yu, Guo-Xian; Li, Bao","Various crystal structures based on 4,4′-(diethynylanthracene-9,10-diyl) dibenzoic acid: from 0D dimer to 3D net framework","CrystEngComm","2013","15","41","8273","","10.1039/c3ce41000e","","","0.71073","MoKα","","0.1873","0.1115","","","0.223","0.2737","","","","","","1.05","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7211111","15.219","0.003","75.54","0.015","14.401","0.003","90","","90","","90","","16556","6","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C54 H56 Cu3 N14 O18 -","- C48 H42 Cu3 N12 O16 -","- C384 H336 Cu24 N96 O128 -","8","1","","Bloch, Witold M.; Doonan, Christian J.; Sumby, Christopher J.","Using hinged ligands to target structurally flexible copper(ii) MOFs","CrystEngComm","2013","15","45","9663","","10.1039/c3ce41244j","","","0.7107","Synchrotron","","0.0934","0.0815","","","0.2502","0.2618","","","","","","1.029","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211177","10.4318","0.0006","16.658","0.001","10.1656","0.0005","90","","90","","90","","1766.51","0.17","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H16 N2 O10 S -","- C16 H16 N2 O10 S -","- C64 H64 N8 O40 S4 -","4","0.5","","Allão Cassaro, Rafael A.; Resende, Jackson A. L. C.; Santos Jr., Sauli; Sorace, Lorenzo; Andruh, Marius; Vaz, Maria G. F.","A 3-D coordination network constructed from an angular bis-oxamato tecton and calcium ions","CrystEngComm","2013","15","42","8422","","10.1039/c3ce41376d","","","0.71073","MoKα","","0.0779","0.0361","","","0.0681","0.075","","","","","","0.803","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211346","13.9824","0.0008","5.5774","0.0003","9.8671","0.0005","90","","90","","90","","769.49","0.07","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba O9 Te W2 -","- Ba O9 Te W2 -","- Ba4 O36 Te4 W8 -","4","0.5","","Zhang, Zhonghan; Tao, Xutang; Zhang, Junjie; Sun, Youxuan; Zhang, Chengqian; Li, Bo","Synthesis, crystal growth, and characterization of the orthorhombic BaTeW2O9: a new polymorph of BaTeW2O9","CrystEngComm","2013","15","47","10197","","10.1039/c3ce41272e","","","0.71073","MoKα","","0.0186","0.0175","","","0.0367","0.037","","","","","","1.268","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211485","7.1654","0.0003","18.5414","0.0008","10.8922","0.0005","90","","90","","90","","1447.1","0.11","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H11 Co N O5 -","- C14 H11 Co N O5 -","- C56 H44 Co4 N4 O20 -","4","0.5","","Liu, Yongxin; Liu, Dan; Yu, Yang; Xu, Jin; Han, Xiaohui; Wang, Cheng","Structural and magnetic investigation of CoII/MnII-based MIL-53 analogues with mixed ligands of neutral N-oxides and organic carboxylates","CrystEngComm","2013","15","48","10611","","10.1039/c3ce41824c","","","0.71073","MoKα","","0.0276","0.0255","","","0.0647","0.0656","","","","","","1.081","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211562","9.5131","0.0013","15.302","0.002","9.8789","0.0013","90","","90","","90","","1438.1","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cu2 I N9 Na -","- C6 H9 Cu2 I N9 Na -","- C24 H36 Cu8 I4 N36 Na4 -","4","0.5","","Liu, Biao; Qiu, Yong-Cai; Peng, Guo; Deng, Hong","In situ solvothermal syntheses of a heteronuclear copper(I)-alkaline metallic tetrazole-based coordination polymer","CrystEngComm","2010","12","1","270","","10.1039/b910418f","","","0.71073","MoKα","","0.0424","0.0315","","","0.071","0.0757","","","","","","1.035","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211616","5.772","0.002","19.128","0.007","17.295","0.006","90","","90","","90","","1909.5","1.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H21.52 N4 O1.52 Si -","- C20 H21 N4 O1.51 Si -","- C80 H84 N16 O6.04 Si4 -","4","0.5","","Wang, Dengxu; He, Haiyan; Chen, Xiaohui; Feng, Shengyu; Niu, Yuzhong; Sun, Daofeng","A 3D porous metal‒organic framework constructed of 1D zigzag and helical chains exhibiting selective anion exchange","CrystEngComm","2010","12","4","1041","","10.1039/b910988a","","","0.71073","MoKα","","0.1319","0.0694","","","0.1862","0.2222","","","","","","1.018","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211707","21.177","0.005","23.657","0.006","11.481","0.003","90","","90","","90","","5752","2","294","2","294","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C51 H51 Cd Cl5 N18 O10 -","- C51 H42 Cd Cl5 N18 O10 -","- C204 H168 Cd4 Cl20 N72 O40 -","4","0.5","","Wang, Duo-Zhi; Hu, Tong-Liang; Zhao, Jiong-Peng; Bu, Xian-He","Metal‒organic coordination architectures of bis(1,2,4-triazole) ligands bearing different spacers: syntheses, structures and luminescent properties","CrystEngComm","2010","12","11","3587","","10.1039/b913147g","","","0.71073","MoKα","","0.1042","0.0575","","","0.1532","0.1968","","","","","","0.983","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211802","7.4422","0.0006","9.4578","0.0007","5.8025","0.0004","90","","90","","90","","408.42","0.05","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","trichloromethane","trichloromethane","","- C H Cl3 -","- C H Cl3 -","- C4 H4 Cl12 -","4","0.5","","Yufit, D. S.; Howard, J. A. K.","Low-melting molecular complexes of chloroform","CrystEngComm","2010","12","3","737","","10.1039/b914851e","","x-ray","0.71073","MoKα","K-L~3~","0.0188","0.0172","","","0.0483","0.0494","","","","","","1.043","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211856","17.3499","0.0012","15.464","0.001","13.2336","0.0009","90","","90","","90","","3550.6","0.4","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H12 Cu11 I7 N8 S4 -","- C16 H12 Cu11 I7 N8 S4 -","- C64 H48 Cu44 I28 N32 S16 -","4","0.5","","Hao, Zheng-Ming; Wang, Jun; Zhang, Xian-Ming","Red phosphorescent cuprous halide/pseudohalide coordination polymers with pyrimidine-2-thionates as Co-ligands","CrystEngComm","2010","12","4","1103","","10.1039/b915615a","","","0.71073","MoKα","","0.0714","0.0597","","","0.1599","0.1816","","","","","","1.141","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7212008","12.8543","0.0007","20.7714","0.0013","6.4866","0.0004","90","","90","","90","","1731.93","0.18","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","bis(2-bromoethylammonium)tetraiodoplumbate(ii)","bis(2-bromoethylammonium)tetraiodoplumbate(II)","","- C4 H14 Br2 I4 N2 Pb -","- C4 H14 Br2 I4 N2 Pb -","- C16 H56 Br8 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.0637","0.0538","","","0.143","0.1485","","","","","","1.139","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212051","24.699","0.005","18.113","0.004","12.594","0.003","90","","90","","90","","5634","2","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C100 H112 Ag4 F24 N16 O P4 -","- C100 H112 Ag4 F24 N16 O P4 -","- C200 H224 Ag8 F48 N32 O2 P8 -","2","0.25","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.1129","0.0911","","","0.1992","0.2122","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212065","19.441","0.002","10.0363","0.0012","4.319","0.0005","90","","90","","90","","842.7","0.16","113","2","113","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C7 H4 Ba O7 -","- C7 H4 Ba O7 -","- C28 H16 Ba4 O28 -","4","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0206","0.0184","","","0.0406","0.0412","","","","","","1.179","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212230","10.275","0.001","7.122","0.001","17.45","0.001","90","","90","","90","","1277","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Dipicolinic acid DABCO","","","- C13 H17 N3 O4 -","- C13 H17 N3 O4 -","- C52 H68 N12 O16 -","4","0.5","","Marivel, Samipillai; Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Mechanochemical preparation of adducts (co-crystals and molecular salts) of 1,4-diazabicyclo-[2.2.2]-octane with aromatic polycarboxylic acids","CrystEngComm","2010","12","7","2107","","10.1039/b922915a","","","0.71073","MoKα","","0.0541","0.04","","","0.1158","0.1219","","","","","","1.063","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212587","15.4","0.001","6.7287","0.0003","14.252","0.001","90","","90","","90","","1476.82","0.16","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H8 Eu K N2 O12 -","- C8 H2 Eu K N2 O12 -","- C32 H8 Eu4 K4 N8 O48 -","4","0.5","","Thuéry, Pierre; Masci, Bernardo","Lanthanide‒organic assemblies with pyrazinetetracarboxylic and benzophenone-3,3′,4,4′-tetracarboxylic acids","CrystEngComm","2010","12","10","2982","","10.1039/c002054k","","","0.71073","MoKα","","0.0603","0.0546","","","0.1448","0.1489","","","","","","1.081","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212703","5.9527","0.0003","13.0441","0.0006","19.5781","0.001","90","","90","","90","","1520.19","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H8 O6 Pb S -","- C14 H8 O6 Pb S -","- C56 H32 O24 Pb4 S4 -","4","0.5","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","A series of novel Pb(ii) or Pb(ii)/M(ii) (M = Ca and Sr) hybrid inorganic‒organic frameworks based on polycarboxylic acids with diverse Pb‒O‒M (M = Pb, Ca and Sr) inorganic connectivities","CrystEngComm","2010","12","12","4252","","10.1039/c004010j","","","0.71073","MoKα","","0.0292","0.0264","","","0.0747","0.0771","","","","","","1.042","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212958","22.4037","0.0002","19.5153","0.0002","12.7108","0.0002","90","","90","","90","","5557.35","0.12","293","2","293","2","","","","","","","see text","5","P n m a","-P 2ac 2n","62","","","","- C16 H57.5 Mo12.5 N6 O41.5 -","- C16 H38 Mo12.5 N6 O41.5 -","- C64 H152 Mo50 N24 O166 -","4","0.5","","Duraisamy, T.; Ramanan, A.; Vittal, J. J.","Two new inorganic-organic hybrid salts: [NH2Me2]4[NMe4]2-[Mo0.5O4⊂(Mo12O36)]·1.5H2O and [NMe4]2[NH4]2[Mo8O26]·2H2O","Journal of Materials Chemistry","1999","9","3","763","","10.1039/a806073h","","","0.71073","MoKα","","0.0595","0.0472","","0.1326","0.125","","","","1.119","1.155","1.155","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213000","19.451","0.001","18.738","0.001","6.883","0.001","90","","90","","90","","2508.7","0.4","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","8,9-di(methylsulfanyl)acenaphthyleno[1,2-b][1,4]dithiine 7,7,8,8-tetracyano-p-quinodimethane (1:1)","","- C28 H16 N4 S4 -","- C28 H16 N4 S4 -","- C112 H64 N16 S16 -","4","0.5","","Bryce, Martin R.; Lay, Alexander K.; Chesney, Antony; Batsanov, Andrei S.; Howard, Judith A. K.; Buser, Urs; Gerson, Fabian; Merstetter, Pascal","The radical ions of acenaphtho[1,2-b][1,4]dithiine derivatives and acenaphtho[1,2-b][1,4]oxathiine: Solution EPR and ENDOR studies. The X-ray crystal structures of 8,9-bis(methylsulfanyl)acenaphtho[1,2-b][1,4]dithiine and its complexes with 7,7,8,8-tetracyano-p-quinodimethane (TCNQ), 2,5-dibromo-TCNQ and iodine","Journal of the Chemical Society, Perkin Transactions 2","1999","","4","755","","10.1039/a809872g","","","0.71073","MoKα","","0.0827","0.058","","0.1444","0.1275","","","","1.128","1.183","1.183","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213102","21.055","0.013","14.453","0.008","5.099","0.002","90","","90","","90","","1551.7","1.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H20 O5 -","- C18 H18.75 O5 -","- C72 H75 O20 -","4","0.5","","Olsher, Uriel; Shoham, Gil; Dalley, N. Kent; Weining, Jiang; Luboch, Elzbieta; Yu, Zong-Yuan; Knobeloch, John M.; Lee, Jong Chan; Talanov, Vladimir S.; Bartsch, Richard A.","Structural and conformational studies of alcohol, diol and methyl ether derivatives of dibenzo-14-crown-4. Implications for ligand and tecton design","Journal of the Chemical Society, Perkin Transactions 2","1999","","11","2557","","10.1039/a904180j","","","0.71073","MoKα","","0.1078","0.0586","","0.157","0.1362","","","","0.968","1.166","1.166","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213203","28","0.02","15.619","0.014","13.818","0.014","90","","90","","90","","6043","9","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C76 H40 N6 O6 -","- C61 H76 N6 O6 -","- C244 H304 N24 O24 -","4","0.5","","Beer, Paul D.; Drew, Michael G. B.; Gradwell, Kate","Synthesis and anion coordination chemistry of new calix[4]arene pyridinium receptors","Journal of the Chemical Society, Perkin Transactions 2","2000","","3","511","","10.1039/a908106b","","","0.71073","MoKα","","0.0885","0.0557","","","0.1509","0.1621","","","","","","1.06","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213204","10.0872","0.0002","11.797","0.0002","7.7925","0.0002","90","","90","","90","","927.3","0.03","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H14 N2 O2 -","- C8 H14 N2 O2 -","- C32 H56 N8 O8 -","4","0.5","","Marsman, Albert W.; van Walree, Cornelis A.; Havenith, Remco W. A.; Jenneskens, Leonardus W.; Lutz, Martin; Spek, Anthony L.; Lutz, Egbertus T. G.; van der Maas, Joop H.","Infinite, undulating chains of intermolecularly hydrogen bonded (E,E)-2,2-dimethylcyclohexane-1,3-dione dioximes in the solid state. A single crystal X-ray, charge density distribution and spectroscopic study","Journal of the Chemical Society, Perkin Transactions 2","2000","","3","501","","10.1039/a908335i","","","0.71073","MoKα","","0.0428","0.036","","","0.0963","0.1018","","","","","","1.062","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213228","11.442","0.008","14.992","0.014","15.011","0.01","90","","90","","90","","2575","3","150","2","150","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","1,3,5,7-tetrakis(2H-hexafluoropropyl)adamantane","","- C22 H16 F24 -","- C22 H14 F24 -","- C88 H56 F96 -","4","0.5","","Chambers, Richard D.; Fuss, Robert W.; Spink, Robert C. H.; Greenhall, Martin P.; Kenwright, Alan M.; Batsanov, Andrei S.; Howard, Judith A. K.","Free radical chemistry. Part 10. Addition of acyclic and cyclic alkanes to hexafluoropropene","Journal of the Chemical Society, Perkin Transactions 1","2000","","10","1623","","10.1039/a909777e","","","0.71073","MoKα","","0.1636","0.119","","","0.3075","0.357","","","","","","1.026","","","","has coordinates,has disorder","180463","2020-10-21","18:00:00",""
"7213613","17.6223","0.0008","6.783","0.0005","11.4011","0.0005","90","","90","","90","","1362.8","0.13","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H15 N O8 S -","- C10 H15 N O8 S -","- C40 H60 N4 O32 S4 -","4","0.5","","Nowak, Anna M.; Kurc, Teresa; Janczak, Jan; Videnova-Adrabinska, Veneta","Synthesis and structural analysis of alkylammonium sulfoisophthalates: cation size and geometry effects on the hydrogen bonded network","CrystEngComm","2014","16","4","591","","10.1039/c3ce41526k","","","0.71073","MoKα","","0.1686","0.0621","","","0.0933","0.1153","","","","","","1.006","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213661","14.7579","0.0002","30.9679","0.0004","11.3786","0.0002","90","","90","","90","","5200.26","0.13","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H17 Mg2 O11 -","- C24 H17 Mg2 O11 -","- C192 H136 Mg16 O88 -","8","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0987","0.0647","","","0.1748","0.1906","","","","","","1.052","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213787","15.365","0.003","31.833","0.006","16.779","0.003","90","","90","","90","","8207","3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C58 H72 Mn4 N28 O32 -","- C58 H53 Mn4 N28 O28 -","- C232 H212 Mn16 N112 O112 -","4","0.5","","Li, Huijun; Xu, Zhouqing; Zhao, Bei; Jia, Yanyuan; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Nuclearity control of manganese polymers dependent on structural differences in the coligands and magnetic properties studies","CrystEngComm","2014","16","12","2470","","10.1039/c3ce41553h","","","0.71073","MoKα","","0.1058","0.0878","","","0.2055","0.2171","","","","","","1.104","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213831","7.323","0.004","22.223","0.011","16.991","0.009","90","","90","","90","","2765","3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H28 N2 Ni O19 Sr -","- C14 H27 N2 Ni O19 Sr -","- C56 H108 N8 Ni4 O76 Sr4 -","4","0.5","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0412","0.0342","","","0.1276","0.1323","","","","","","1.16","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7214037","22.648","0.004","15.759","0.003","23.177","0.004","90","","90","","90","","8272","3","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C30 H62 Cl K Mo12 N20 Nd O76 P -","- C30 H30 Cl K Mo12 N20 Nd O64 P -","- C120 H120 Cl4 K4 Mo48 N80 Nd4 O256 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.1094","0.0831","","","0.2169","0.2369","","","","","","1.091","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214038","22.655","0.013","15.874","0.009","23.21","0.013","90","","90","","90","","8347","8","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C30 H58 Cl K Mo12 N20 O74 P Sm -","- C30 H30 Cl K Mo12 N20 O65 P Sm -","- C120 H120 Cl4 K4 Mo48 N80 O260 P4 Sm4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0913","0.0648","","","0.1748","0.1914","","","","","","1.118","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214039","22.524","0.004","15.876","0.003","23.193","0.004","90","","90","","90","","8294","3","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C30 H58 Cl Eu K Mo12 N20 O74 P -","- C30 H30 Cl Eu K Mo12 N20 O65 P -","- C120 H120 Cl4 Eu4 K4 Mo48 N80 O260 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0932","0.0628","","","0.1618","0.1773","","","","","","1.086","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214040","22.485","0.003","15.879","0.002","23.163","0.003","90","","90","","90","","8270.1","1.9","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C30 H58 Cl Gd K Mo12 N20 O74 P -","- C30 H30 Cl Gd K Mo12 N20 O65 P -","- C120 H120 Cl4 Gd4 K4 Mo48 N80 O260 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0834","0.0587","","","0.1553","0.1691","","","","","","1.109","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214175","8.5705","0.0007","15.3195","0.0013","8.431","0.0006","90","","90","","90","","1106.95","0.15","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H6 Ag N5 O2 S -","- C8 H6 Ag N5 O2 S -","- C32 H24 Ag4 N20 O8 S4 -","4","0.5","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0263","0.0231","","","0.0564","0.0591","","","","","","1.051","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214225","12.5686","0.0008","19.2822","0.0012","12.5835","0.0009","90","","90","","90","","3049.6","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba9 F10 In4 S10 -","- Ba9 F10 In4 S10 -","- Ba36 F40 In16 S40 -","4","0.5","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Zhang, Wei-Long; Zhang, Hao; He, Zhang-Zhen; Cheng, Wen-Dan","Ba18F18In8S21 and Ba9F10In4S10: new kind of mixed anion compounds with the novel low-dimensional structure","CrystEngComm","2014","16","13","2788","","10.1039/c3ce41954a","","","0.71073","MoKα","","0.0586","0.0523","","","0.1418","0.1477","","","","","","1.049","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214297","7.3053","0.0007","17.5056","0.0014","12.6731","0.0012","90","","90","","90","","1620.7","0.3","143","1","143","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H17 O5 S Zn -","- C19 H17 O5 S Zn -","- C76 H68 O20 S4 Zn4 -","4","0.5","","Kojtari, Arben; Carroll, Patrick J.; Ji, Hai-Feng","Metal organic framework (MOF) micro/nanopillars","CrystEngComm","2014","16","14","2885","","10.1039/c4ce00172a","","","0.71073","MoKα","","0.0578","0.0366","","","0.0894","0.0996","","","","","","1.09","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7215030","6.705","0.0017","11.2932","0.0011","16.3878","0.0019","90","","90","","90","","1240.9","0.4","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H22 Cu3 N2 O16 P2 -","- C10 H22 Cu3 N2 O16 P2 -","- C20 H44 Cu6 N4 O32 P4 -","2","0.25","","Liu, Mei-Juan; Cao, Deng-Ke; Liu, Bin; Li, Yi-Zhi; Huang, Jian; Zheng, Li-Min","Cobalt and copper phosphinates based on N-(phosphinomethyl)iminodiacetic acid: supramolecular layered structures and magnetic properties","CrystEngComm","2012","14","14","4699","","10.1039/c2ce00026a","","","0.71073","MoKα","","0.0451","0.0356","","","0.083","0.0858","","","","","","1.071","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215067","14.2823","0.0019","17.776","0.003","27.245","0.003","90","","90","","90","","6917","1.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H30 N4 O16 Zn3 -","- C20 H4 O16 Zn3 -","- C160 H32 O128 Zn24 -","8","1","","Ji, Wen-Juan; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhai, Quan-Guo","Ionic liquids used for synthesis of supramolecular isomeric open-frameworks as photocatalysts for visible-light-driven degradation of organic dyes","CrystEngComm","2014","16","17","3474","","10.1039/c4ce00014e","","","0.71073","MoKα","","0.0528","0.0486","","","0.1424","0.1461","","","","","","1.067","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215136","39.7827","0.001","13.3368","0.0003","12.0345","0.0002","90","","90","","90","","6385.2","0.2","93","","93","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C39 H78 Cl4 Mo6 N O27 Ru2 -","- C39 H18 Cl4 Mo6 N O27 Ru2 -","- C156 H72 Cl16 Mo24 N4 O108 Ru8 -","4","0.5","","Hashikawa, Akihiro; Sawada, Yuki; Yamamoto, Yuma; Nishio, Masaki; Kosaka, Wataru; Hayashi, Yoshihito; Miyasaka, Hitoshi","Polyoxometalate-based frameworks with a linker of paddlewheel diruthenium(ii, iii) complexes","CrystEngComm","2013","15","24","4852","","10.1039/c3ce40426a","","","0.71075","MoKα","","","0.0415","","","","0.108","","","","","","1.057","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215320","7.663","0.003","10.104","0.004","17.426","0.008","90","","90","","90","","1349.2","1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H9 N9 O2 Zn2 -","- C8 H9 N9 O2 Zn2 -","- C32 H36 N36 O8 Zn8 -","4","0.5","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.0349","0.0312","","","0.0738","0.0761","","","","","","1.107","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215323","16.562","0.007","10.103","0.004","7.904","0.003","90","","90","","90","","1322.5","0.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cd2 Cl N12 -","- C6 H9 Cd2 Cl N12 -","- C24 H36 Cd8 Cl4 N48 -","4","0.5","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.0274","0.0254","","","0.0579","0.0592","","","","","","1.079","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215658","27.144","0.005","6.5905","0.0013","10.766","0.002","90","","90","","90","","1926","0.6","153","2","153","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C17 H14 Cl F6 N4 P Pt -","- C17 H14 Cl F6 N4 P Pt -","- C68 H56 Cl4 F24 N16 P4 Pt4 -","4","0.5","","Zhang, Rui; Liang, Zhenning; Han, Ali; Wu, Haotian; Du, Pingwu; Lai, Wenzhen; Cao, Rui","Structural, spectroscopic and theoretical studies of a vapochromic platinum(ii) terpyridyl complex","CrystEngComm","2014","16","25","5531","","10.1039/c4ce00514g","","","0.71073","MoKα","","0.0502","0.0434","","","0.0978","0.1025","","","","","","1.064","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215756","8.0772","0.0003","7.2986","0.0003","20.4169","0.0007","90","","90","","90","","1203.62","0.08","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H17 N5 O2 -","- C9 H17 N5 O2 -","- C36 H68 N20 O8 -","4","0.5","","Jones, P. G.; Taouss, Christina","Lutidine Adducts of Urea: Molecular Mechanisms for Twinning Effects on Cooling","CrystEngComm","2014","","","","","10.1039/c4ce00560k","","","0.71073","MoKα","","0.0481","0.0408","","","0.1051","0.11","","","","","","1.062","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215783","8.856","0.0008","9.3709","0.0009","12.7384","0.0012","90","","90","","90","","1057.14","0.17","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H13 Ag I2 N2 -","- C5 H10 Ag I2 N2 -","- C20 H40 Ag4 I8 N8 -","4","0.5","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.08","0.0798","","","0.1857","0.1859","","","","","","1.342","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215786","8.1241","0.0003","30.3843","0.001","15.6616","0.0005","90","","90","","90","","3866","0.2","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H23 La2 N5 O14 -","- C27 H23 La2 N5 O14 -","- C108 H92 La8 N20 O56 -","4","0.5","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.051","0.0434","","","0.1085","0.1113","","","","","","1.08","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215787","8.1162","0.0004","30.2842","0.0014","15.6709","0.0007","90","","90","","90","","3851.8","0.3","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H23 Ce2 N5 O14 -","- C27 H23 Ce2 N5 O14 -","- C108 H92 Ce8 N20 O56 -","4","0.5","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.0478","0.0401","","","0.1004","0.1028","","","","","","1.087","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215794","8.0234","0.0001","30.2439","0.0005","15.328","0.0002","90","","90","","90","","3719.48","0.09","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H23 N5 O14 Sm2 -","- C27 H23 N5 O14 Sm2 -","- C108 H92 N20 O56 Sm8 -","4","0.5","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.034","0.0294","","","0.0758","0.0781","","","","","","1","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215978","19.7256","0.0011","7.8544","0.0004","6.5083","0.0004","90","","90","","90","","1008.35","0.1","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C2 H9 Ag Cu2 N2 S4 Sn -","- C Ag Cu2 N S4 Sn -","- C4 Ag4 Cu8 N4 S16 Sn4 -","4","0.5","","Xiong, weiwei; Miao, Jianwei; Li, Pei-Zhou; Zhao, Yanli; Liu, Bin; Zhang, qichun","[enH][Cu2AgSnS4]: A Quaternary Layered Sulfide Based on Cu-Ag-Sn-S Composition","CrystEngComm","2014","","","","","10.1039/c4ce00740a","","","0.71073","MoKα","","0.0437","0.0369","","","0.1164","0.1231","","","","","","1.046","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7216048","7.6143","0.0012","22.461","0.004","7.7097","0.0012","90","","90","","90","","1318.5","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H14 O8 P2 Zn -","- C8 H14 O8 P2 Zn -","- C32 H56 O32 P8 Zn4 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0367","0.0322","","","0.0925","0.0953","","","","","","1.089","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216064","14.4737","0.0003","6.003","0.0001","6.3626","0.0001","90","","90","","90","","552.818","0.017","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","3-Oxauracil monohydrate","3-Oxauracil monohydrate","","- C4 H5 N O4 -","- C4 H5 N O4 -","- C16 H20 N4 O16 -","4","0.5","","Copley, Royston C. B.; Deprez, Lucie S.; Lewis, Thomas C.; Price, Sarah L.","Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test","CrystEngComm","2005","7","69","421","","10.1039/b504756k","","","1.54178","CuKα","","0.0298","0.0298","","","0.0818","0.0819","","","","","","1.083","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216130","18.429","0.0008","18.1729","0.0013","15.0366","0.0008","90","","90","","90","","5035.9","0.5","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.0571","0.0409","","","0.0942","0.1006","","","","","","1.052","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216131","18.4633","0.0008","18.1906","0.0006","15.0501","0.0007","90","","90","","90","","5054.7","0.4","80","2","80","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.0617","0.0439","","","0.1057","0.1169","","","","","","1.031","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216132","18.4939","0.0008","18.2041","0.0006","15.0446","0.0007","90","","90","","90","","5065","0.4","130","2","130","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.0644","0.0432","","","0.1015","0.1141","","","","","","1.012","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216133","18.5461","0.0008","18.2325","0.0006","15.0393","0.0007","90","","90","","90","","5085.4","0.4","180","2","180","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.067","0.0424","","","0.098","0.1117","","","","","","1.016","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216134","18.599","0.0007","18.265","0.0006","15.0367","0.0007","90","","90","","90","","5108.1","0.3","230","2","230","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.0767","0.0424","","","0.0934","0.1105","","","","","","1.002","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216135","18.6446","0.0007","18.2957","0.0006","15.0193","0.0007","90","","90","","90","","5123.3","0.3","280","2","280","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.0914","0.0489","","","0.1179","0.1397","","","","","","1.046","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216136","18.704","0.0015","18.303","0.0012","14.9839","0.0013","90","","90","","90","","5129.6","0.7","330","2","330","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.1128","0.0639","","","0.1745","0.2097","","","","","","1.03","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216137","18.7596","0.0017","18.3558","0.0013","14.9944","0.0015","90","","90","","90","","5163.3","0.8","380","2","380","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.1487","0.0796","","","0.2336","0.2915","","","","","","1.047","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216138","18.81","0.002","18.4239","0.0018","15.008","0.002","90","","90","","90","","5201.1","1","430","2","430","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.176","0.0831","","","0.2351","0.3047","","","","","","1.018","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216139","18.833","0.004","18.483","0.004","14.978","0.004","90","","90","","90","","5214","2","480","2","480","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.2133","0.0807","","","0.2499","0.3476","","","","","","0.986","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216468","7.252","0.0011","5.4841","0.0008","24.352","0.004","90","","90","","90","","968.5","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba2 O10 Pb S Si2 -","- Ba2 O10 Pb S Si2 -","- Ba8 O40 Pb4 S4 Si8 -","4","0.5","","Dong, Lingyun; Pan, Shilie; Wang, Ying; Yu, Hongwei; Bian, Qiang; Yang, Zhihua; Wu, Hongping; Zhang, Min","BaPbSi2O6·BaSO4: the first mixed anionic compound synthesized via BaSO4 salt-inclusion","CrystEngComm","2014","","","","","10.1039/c4ce00527a","","","0.71073","MoKα","","0.044","0.0297","","","0.0566","0.0608","","","","","","1.029","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216473","4.372","0.005","6.375","0.005","9.196","0.009","90","","90","","90","","256.3","0.4","295","2","295","2","","","1110000","","","","","3","P n m a","-P 2ac 2n","62","methyl bromide","bromomethane","","- C H3 Br -","- C H3 Br -","- C4 H12 Br4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0416","0.0253","","","0.0455","0.0484","","","","","","1.053","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216474","4.331","0.003","6.358","0.005","9.142","0.006","90","","90","","90","","251.7","0.3","295","2","295","2","","","1500000","","","","","3","P n m a","-P 2ac 2n","62","methyl bromide","bromomethane","","- C H3 Br -","- C H3 Br -","- C4 H12 Br4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.02","0.0139","","","0.0234","0.0243","","","","","","1.041","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216646","14.932","0.005","13.158","0.004","23.575","0.007","90","","90","","90","","4632","3","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H44 Mo6 N8 Na O34 P -","- C18 H30 Mo6 N8 Na O34 P -","- C72 H120 Mo24 N32 Na4 O136 P4 -","4","0.5","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.0356","0.0323","","","0.0852","0.0874","","","","","","1.058","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216706","25.07","0.004","9.1849","0.0015","4.5943","0.0008","90","","90","","90","","1057.9","0.3","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Urea : 4,4'bipyridine Form II","","","- C11 H12 N4 O -","- C11 H12 N4 O -","- C44 H48 N16 O4 -","4","0.5","","Tothadi, Srinu","Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine","CrystEngComm","2014","16","32","7587","","10.1039/C4CE00866A","","","0.71073","MoKα","","0.064","0.0513","","","0.131","0.1371","","","","","","1.141","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216743","13.688","0.0007","13.6891","0.0007","6.0821","0.0003","90","","90","","90","","1139.64","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Gd Ge3 H2 K3 O10 -","- Gd Ge3 H2 K3 O10 -","- Gd4 Ge12 H8 K12 O40 -","4","0.5","","Liu, Wei; yang, min; Ji, Ying; Liu, Fuyang; Wang, Ying; Wang, Xiaofeng; Zhao, Xudong; Liu, Xiaoyang","High-Temperature, High-Pressure Hydrothermal Synthesis, Crystal Structure and Photoluminescent Properties of K3[Gd1-xTbxGe3O8(OH)2] ( x = 0, 0.3, 0.1, 1 )","RSC Advances","2014","","","","","10.1039/c4ra03048f","","","0.71073","MoKα","","0.0193","0.0181","","","0.0774","0.0798","","","","","","0.721","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216744","13.6552","0.0015","13.6541","0.0015","6.0595","0.0006","90","","90","","90","","1129.8","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ge3 H2 K3 O10 Tb -","- Ge3 H2 K3 O10 Tb -","- Ge12 H8 K12 O40 Tb4 -","4","0.5","","Liu, Wei; yang, min; Ji, Ying; Liu, Fuyang; Wang, Ying; Wang, Xiaofeng; Zhao, Xudong; Liu, Xiaoyang","High-Temperature, High-Pressure Hydrothermal Synthesis, Crystal Structure and Photoluminescent Properties of K3[Gd1-xTbxGe3O8(OH)2] ( x = 0, 0.3, 0.1, 1 )","RSC Advances","2014","","","","","10.1039/c4ra03048f","","","0.71073","MoKα","","0.0195","0.0186","","","0.0439","0.0444","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217016","9.0609","0.0004","10.8497","0.0005","13.9398","0.0006","90","","90","","90","","1370.39","0.11","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba3 Cu4 O S6 Sb -","- Ba3 Cu4 O S6 Sb -","- Ba12 Cu16 O4 S24 Sb4 -","4","0.5","","Ma, Zhimin; Weng, Fan; Wang, Qiuran; Tang, Qun; Zhang, Ganghua; Chong, Zheng; Han, Ray P.S.; Huang, Fu Qiang","Low Temperature Synthesis and Structures of the Alkaline Earth Metal Chalcogenides Ba3Cu4SbS6OH, BaCuSbS3 and BaCu2S2","RSC Advances","2014","","","","","10.1039/c3ra46878j","","","0.71073","MoKα","","0.0805","0.0471","","","0.0819","0.0925","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217037","15.9288","0.0003","6.9261","0.0002","7.8324","0.0002","90","","90","","90","","864.11","0.04","170","2","170","2","","","","","","","","4","P n m a","-P 2ac 2n","62","1,1,3-trichloro-1H-isoindole","","","- C8 H4 Cl3 N -","- C8 H4 Cl3 N -","- C32 H16 Cl12 N4 -","4","0.5","","Ayhan, Mehmet Menaf; Zorlu, Yunus; Gökdemir, Özlem; Gürek, Ayşe Gül; Dumoulin, Fabienne; Ahsen, Vefa; Hirel, Catherine","Optimized synthesis and crystal growth by sublimation of 1,3,3-trichloroisoindolenines, key building blocks for crosswise phthalocyanines","CrystEngComm","2014","16","29","6556","","10.1039/c4ce00189c","","","0.71073","MoKα","","0.023","0.022","","","0.0615","0.0623","","","","","","1.172","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217152","18.86","0.002","18.01","0.002","11.1408","0.0013","90","","90","","90","","3784.2","0.7","174","2","174","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 N4 O23 Se5 U4 -","- C16 N4 O23 Se5 U4 -","- C64 N16 O92 Se20 U16 -","4","0.5","","Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C.","Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique","CrystEngComm","2014","16","31","7236","","10.1039/C4CE00270A","","","0.71073","MoKα","","0.068","0.0499","","","0.1046","0.1103","","","","","","1.149","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217209","9.6481","0.0012","6.3391","0.0008","7.1825","0.0009","90","","90","","90","","439.28","0.1","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","N-methylacetamide","","- C3 H7 N O -","- C3 H7 N O -","- C12 H28 N4 O4 -","4","0.5","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.0546","0.0471","","","0.1305","0.1344","","","","","","1.073","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217246","6.3785","0.0007","7.4502","0.0015","12.6761","0.0015","90","","90","","90","","602.38","0.16","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cu H6 N8 -","- Cu H6 N8 -","- Cu4 H24 N32 -","4","0.5","","Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.","Cyano and end-to-end azido bridged 3D copper(II)-copper(I) mixed-valence coordination polymer and its transformation to copper nitride nanoparticles.","RSC Advances","2014","","","","","10.1039/C4RA05980H","","","0.71073","MoKα","","0.0301","0.0267","","","0.0692","0.0719","","","","","","1.124","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217881","9.3152","0.0007","9.5241","0.0007","17.5001","0.0011","90","","90","","90","","1552.59","0.19","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","iodinephenyl trifluoromethyl pyrazole","1-(dimethylethyl)-5-(4-iodinephenyl)-3-(trifluoromethyl)-1H-pyrazole","","- C14 H14 F3 I N2 -","- C14 H14 F3 I N2 -","- C56 H56 F12 I4 N8 -","4","0.5","","Frizzo, Clarissa Piccinin; Martins, Marcos A. P.; Tier, Aniele; Gindri, Izabelle M.; Meyer, Alexandre R.; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Anna C. L.","Energetic and Topological Approach for Characterization of Supramolecular Clusters in Organic Crystals","RSC Adv.","2014","","","","","10.1039/C4RA06040G","","","0.71073","MoKα","","0.0538","0.0417","","","0.1143","0.1234","","","","","","1.062","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7218093","21.8268","0.0005","3.9863","0.0001","7.1628","0.0002","90","","90","","90","","623.22","0.03","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C2 H Ag N2 O Pb S -","- C2 H Ag N2 O Pb S -","- C8 H4 Ag4 N8 O4 Pb4 S4 -","4","0.5","","Diana, Eliano; Gervasio, Giuliana; Priola, Emanuele; Bonometti, Elisabetta","A new heterometallic multiligand 3D coordination polymer: synthesis and structure of [Pb(OH)]n[Ag(SCN)(CN)]n","CrystEngComm","2014","16","43","10040","","10.1039/C4CE01424C","","","0.71073","MoKα","","0.0302","0.0245","","","0.0578","0.0608","","","","","","1.092","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218350","28.9478","0.0014","14.3498","0.0009","6.3034","0.0004","90","","90","","90","","2618.4","0.3","123","","123","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H36 I4 N4 -","- C18 H36 I4 N4 -","- C72 H144 I16 N16 -","4","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","0.71073","MoKα","","0.0625","0.0563","","","0.1465","0.1497","","","","","","1.199","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218545","35.306","0.005","14.142","0.002","13.4153","0.0019","90","","90","","90","","6698.2","1.6","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H88 Cl Gd N26 O40 -","- C40 H44 Cl Gd N26 O25 -","- C160 H176 Cl4 Gd4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.076","0.0631","","","0.148","0.1542","","","","","","1.109","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218546","35.381","0.003","14.2066","0.0013","13.4355","0.0013","90","","90","","90","","6753.3","1.1","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H88 Cl N26 O40 Tb -","- C40 H44 Cl N26 O25 Tb -","- C160 H176 Cl4 N104 O100 Tb4 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0717","0.0535","","","0.1411","0.1495","","","","","","1.084","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218547","35.375","0.004","14.1652","0.0017","13.4397","0.0016","90","","90","","90","","6734.6","1.4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H88 Cl Dy N26 O40 -","- C40 H44 Cl Dy N26 O25 -","- C160 H176 Cl4 Dy4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0729","0.0503","","","0.1349","0.1441","","","","","","1.052","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218548","35.361","0.005","14.168","0.002","13.4332","0.0019","90","","90","","90","","6730","1.6","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H88 Cl Ho N26 O40 -","- C40 H44 Cl Ho N26 O25 -","- C160 H176 Cl4 Ho4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0794","0.0527","","","0.1438","0.154","","","","","","1.053","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218549","35.37","0.004","14.161","0.0017","13.4086","0.0016","90","","90","","90","","6716","1.4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H86 Cl Er N26 O39 -","- C40 H44 Cl Er N26 O25 -","- C160 H176 Cl4 Er4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.072","0.0552","","","0.1323","0.1396","","","","","","1.119","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218550","35.285","0.005","14.1423","0.0019","13.3923","0.0018","90","","90","","90","","6682.9","1.6","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H90 Cl N26 O41 Tm -","- C40 H44 Cl N26 O25 Tm -","- C160 H176 Cl4 N104 O100 Tm4 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0818","0.0533","","","0.144","0.1542","","","","","","1.05","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218551","35.396","0.004","14.1853","0.0018","13.4031","0.0017","90","","90","","90","","6729.7","1.4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H84 Cl N26 O38 Yb -","- C40 H44 Cl N26 O25 Yb -","- C160 H176 Cl4 N104 O100 Yb4 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0665","0.0445","","","0.1268","0.1366","","","","","","1.073","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218552","35.247","0.013","14.129","0.005","13.384","0.005","90","","90","","90","","6665","4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H86 Cl Lu N26 O39 -","- C40 H44 Cl Lu N26 O25 -","- C160 H176 Cl4 Lu4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0805","0.0475","","","0.1387","0.1512","","","","","","1.079","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218598","5.5647","0.0002","10.687","0.0005","11.8501","0.0005","90","","90","","90","","704.72","0.05","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","cobaltvanadate","","","- Co H4 O8 V2 -","- Co4 H16 O32 V8 -","- Co4 H16 O32 V8 -","1","0.125","","Mondal, Chanchal; Sasmal, Anup Kumar; Yusuf, Seikh M.; Mukadam, Mayuresh; Pal, Jaya; Ganguly, Mainak; Pal, T.","Modified Hydrothermal Reaction (MHT) for CoV2O6.4H2O Nanowire formation and its transformation to CoV2O6.2H2O Single-crystal for antiferromagnetic ordering and spin-flop","RSC Adv.","2014","","","","","10.1039/C4RA09976A","","","0.71073","MoKα","","0.0174","0.0166","","","0.0513","0.0517","","","","","","1.086","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218872","16.4908","0.0005","6.9106","0.0003","18.7394","0.0006","90","","90","","90","","2135.57","0.13","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H26 N2 O S -","- C24 H26 N2 O S -","- C96 H104 N8 O4 S4 -","4","0.5","","Marco, A. Belén; Mayorga Burrezo, Paula; Mosteo, Laura; Franco, Santiago; Garin, Javier; Orduna, Jesús; Diosdado, Beatriz; Villacampa, Belén; López Navarrete, Juan T.; Casado, Juan; Andreu, Raquel","Polarization, second-order nonlinear optical properties and electrochromism in 4H-pyranylidene chromophores with a quinoid/aromatic thiophene ring bridge","RSC Adv.","2014","","","","","10.1039/C4RA12791A","","","0.71073","MoKα","","0.0699","0.0451","","","0.0865","0.0955","","","","","","1.084","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7219075","12.396","0.002","6.7324","0.0012","13.672","0.002","90","","90","","90","","1141","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H9 N5 O6 S Zn2 -","- C7 H9 N5 O6 S Zn2 -","- C28 H36 N20 O24 S4 Zn8 -","4","0.5","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0652","0.0633","","","0.1557","0.1566","","","","","","1.008","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219105","14.5652","0.0016","6.8755","0.0006","6.1405","0.0005","90","","90","","90","","614.93","0.1","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.056","0.0402","","","0.0969","0.1036","","","","","","1.051","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219106","14.5609","0.0016","6.8598","0.0006","6.129","0.0005","90","","90","","90","","612.19","0.1","275","2","275","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0575","0.0416","","","0.0966","0.1031","","","","","","1.055","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219107","14.5561","0.0015","6.8446","0.0005","6.1179","0.0005","90","","90","","90","","609.53","0.09","250","2","250","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0563","0.0404","","","0.0956","0.1024","","","","","","1.076","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219108","14.5514","0.0015","6.8288","0.0005","6.1066","0.0005","90","","90","","90","","606.8","0.09","225","2","225","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0537","0.041","","","0.0951","0.0997","","","","","","1.077","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219109","14.5449","0.0014","6.8144","0.0005","6.0963","0.0004","90","","90","","90","","604.23","0.08","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0484","0.0375","","","0.0886","0.0929","","","","","","1.083","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219110","14.5416","0.0013","6.8003","0.0004","6.0871","0.0004","90","","90","","90","","601.94","0.08","175","2","175","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0453","0.0365","","","0.0882","0.0916","","","","","","1.101","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219111","14.5379","0.0013","6.7879","0.0004","6.0772","0.0004","90","","90","","90","","599.71","0.08","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0451","0.0369","","","0.0893","0.0924","","","","","","1.083","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219112","14.534","0.0013","6.777","0.0004","6.0668","0.0004","90","","90","","90","","597.56","0.08","125","2","125","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.045","0.0359","","","0.0876","0.0912","","","","","","1.079","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219113","14.5314","0.0013","6.7663","0.0004","6.0577","0.0004","90","","90","","90","","595.62","0.08","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0433","0.0347","","","0.0839","0.0871","","","","","","1.102","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219285","14.778","0.003","6.9181","0.0014","17.853","0.004","90","","90","","90","","1825.2","0.7","123","","123","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","0.5","","Nonn, Melinda; Kiss, Lorand; Hänninen, Mikko; Fulop, Ferenc","An insight into the synthesis of novel aryl-substituted alicyclic β-amino acid derivatives through substrate-directed palladium-catalysed regio- and stereoselective cross-coupling","RSC Adv.","2015","","","","","10.1039/C4RA16196C","","x-ray","0.71073","MoKα","","0.0676","0.0549","","","0.1389","0.1478","","","","","","1.075","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219293","13.7347","0.0015","10.1454","0.0011","13.1412","0.0014","90","","90","","90","","1831.1","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C48 H104 Br5 Cl11 Co4 N8 -","- C48 H104 Br5 Cl11 Co4 N8 -","- C48 H104 Br5 Cl11 Co4 N8 -","1","0.125","","chen, lizhuang; Huang, Deng-Deng; Pan, Qi-Jian; Ge, Jia-Zhen","Novel pure Pnma-P212121 ferroelastic phase transition of 1,4-diisopropyl-1,4-diazonia-bicyclo[2.2.2]octane tetra-chlorobromo-M(II) (M=Mn and Co)","RSC Adv.","2015","","","","","10.1039/C4RA12690D","","","0.71073","MoKα","","0.0815","0.0687","","","0.2379","0.2653","","","","","","1.166","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219294","13.778","0.003","10.235","0.002","13.238","0.003","90","","90","","90","","1866.8","0.7","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H26 Br Cl3 Mn N2 -","- C12 H26 Br Cl3 Mn N2 -","- C48 H104 Br4 Cl12 Mn4 N8 -","4","0.5","","chen, lizhuang; Huang, Deng-Deng; Pan, Qi-Jian; Ge, Jia-Zhen","Novel pure Pnma-P212121 ferroelastic phase transition of 1,4-diisopropyl-1,4-diazonia-bicyclo[2.2.2]octane tetra-chlorobromo-M(II) (M=Mn and Co)","RSC Adv.","2015","","","","","10.1039/C4RA12690D","","","0.71073","MoKα","","0.0642","0.051","","","0.1677","0.1835","","","","","","1.49","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219484","35.7514","0.0008","19.3317","0.0003","27.1223","0.0003","90","","90","","90","","18745.2","0.6","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C272 H76 Dy N12 -","- C272 H76 Dy N12 -","- C1088 H304 Dy4 N48 -","4","0.5","","Jiang, Jianzhuang; Cao, Wei; Wang, Kang; Zhang, Yuehong; Wang, Hailong","Influence of Porphyrin Meso-attached Substituent on the SMM Behavior of Dysprosium(III) Double-deckers with Mixed Tetrapyrrole Ligands","RSC Adv.","2015","","","","","10.1039/C4RA15762A","","","1.54178","CuKα","","0.1115","0.0943","","","0.2521","0.2736","","","","","","1.053","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219678","17.621","0.003","15.958","0.003","8.7728","0.0018","90","","90","","90","","2466.9","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","complex 1","","- C3 H2 N5 O4 Zn -","- C3 H2 N5 O4 Zn -","- C24 H16 N40 O32 Zn8 -","8","1","","Chen, Rong-Ying; Tian, Dan; Li, Yunwu; Lv, Ying-Bin; Sun, Hong Wei; Chang, Ze; Bu, Xian-He","A new anionic metal-organic framework showing tunable emission by lanthanide(III) doping and high selective CO2adsorption properties","RSC Adv.","2015","","","","","10.1039/C5RA02935J","","","0.71073","MoKα","","0.0923","0.0581","","","0.1416","0.156","","","","","","1.093","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219705","37.682","0.003","45.19","0.003","24.565","0.0017","90","","90","","90","","41830","5","192","2","192","2","","","","","","","","7","P n m a","-P 2ac 2n","62","[Co27(C40H44S4O4)6(C2N3H2S)8(C4N6H2S2)4(CO3)0.25(SO3)0.75Cl10(OH)2(CH3OH)2(H2O)4]","","","- C284.25 H322 Cl34 Co27 N48 O37 S40.75 -","- C274.25 H286 Cl10 Co27 N48 O35 S40.75 -","- C1097 H1144 Cl40 Co108 N192 O140 S163 -","4","0.5","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.1091","0.0946","","","0.2606","0.2744","","","","","","1.057","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219706","37.033","0.007","45.29","0.009","24.166","0.005","90","","90","","90","","40532","14","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","[Co28(C40H44S4O4)6(C2N3H2)16(CO3)Cl11(OH)3(CH3OH)2(H2O)6]","","","- C283 H351 Cl11 Co28 N48 O46 S24 -","- C275 H302 Cl11 Co28 N48 O38 S24 -","- C1100 H1208 Cl44 Co112 N192 O152 S96 -","4","0.5","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.0998","0.0654","","","0.1749","0.1919","","","","","","1.032","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219718","9.0044","0.0011","6.6957","0.0008","17.835","0.002","90","","90","","90","","1075.3","0.2","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","[(mbtt)ICl]","[(N-methylbenzothiazole-2-thione)ICl]","","- C8 H7 Cl I N S2 -","- C8 H7 Cl I N S2 -","- C32 H28 Cl4 I4 N4 S8 -","4","0.5","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","0.71073","MoKα","","0.0195","0.0163","","","0.0364","0.0372","","","","","","1.093","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219937","17.303","0.004","9.925","0.002","22.41","0.005","90","","90","","90","","3848.5","1.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H15 In N3 O9 -","- C16 H6 In O9 -","- C64 H24 In4 O36 -","4","0.5","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.0848","0.07","","","0.2562","0.2692","","","","","","1.132","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7220040","34.378","0.004","28.14","0.004","22.849","0.003","90","","90","","90","","22104","5","293","2","293","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C166 H89 Cl Mn16 N0 O69 P8 S12 -","- C166 H164 Cl Mn16 O69 P8 S12 -","- C664 H656 Cl4 Mn64 O276 P32 S48 -","4","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pan, Jie; Pang, Jiandong; Wan, Xiuyan; Hu, Falu; Hong, Maochun","Self-assembly of two high-nuclearity manganese calixarene-phosphonate clusters: diamond-Like Mn16 and drum-Like Mn14","RSC Adv.","2015","","","","","10.1039/C5RA02530C","","","0.71073","MoKα","","0.0836","0.0709","","","0.1987","0.2137","","","","","","1.086","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220102","29.508","0.019","23.454","0.015","15.429","0.01","90","","90","","90","","10678","12","296","2","296","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C52 H70 Mn3 Mo12 N8 Na3 O75 P9 -","- C52 H70 Mn3 Mo12 N8 Na3 O75 P9 -","- C208 H280 Mn12 Mo48 N32 Na12 O300 P36 -","4","0.5","","Gong, Kaining; Liu, Yunping; Han, Zhangang","Manganese-Phosphomolybdate Molecular Catalyst for Electron Transfer Reaction of Ferricyanide to Ferrocyanide","RSC Adv.","2015","","","","","10.1039/C5RA06018D","","","0.71073","MoKα","","0.0373","0.0338","","","0.1015","0.105","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220123","7.7017","0.0003","22.7746","0.0007","11.5195","0.0004","90","","90","","90","","2020.56","0.12","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H18 Ni O11 -","- C22 H18 Ni O11 -","- C88 H72 Ni4 O44 -","4","0.5","","zhang, xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian","Hydrothermal Syntheses, Structural Characterizations, and Magnetic Properties of Five MOFs Assembled From C2-Symmetric Ligand of 1,3-Di((2',4'-dicarboxylphenyl)benzene with Various Coodination modes","RSC Adv.","2015","","","","","10.1039/C5RA04559B","","","0.71073","MoKα","","0.029","0.024","","","0.0488","0.0506","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220277","21.0806","0.0005","37.7868","0.0008","14.1827","0.0003","90","","90","","90","","11297.5","0.4","123.01","0.1","123.01","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","silver C-methyl tetramethoxy resorcinarene bis-crown-5 trifluoromethanesulfonate ethanol solvate hydrate","silver C-methyl tetramethoxy resorcinarene bis-crown-5 trifluoromethanesulfonate ethanol solvate hydrate","","- C54 H76 Ag F3 O20 S -","- C54.5 H74 Ag F3 O20 S -","- C436 H592 Ag8 F24 O160 S8 -","8","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54184","CuKα","","0.1002","0.0869","","","0.2543","0.2731","","","","","","1.041","","","","has coordinates,has disorder","138556","2020-10-21","18:00:00",""
"7220456","5.7913","0.0003","40.564","0.002","7.9028","0.0004","90","","90","","90","","1856.51","0.16","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H16 Cd O8 -","- C20 H16 Cd O8 -","- C80 H64 Cd4 O32 -","4","0.5","","Bing, Yingying; Yu, Meihui; ming, hu","Synthesis, structures, and properties of seven transition metal coordination polymers based on a long semirigid dicarboxylic acid ligand","RSC Adv.","2015","","","","","10.1039/C5RA06012E","","","0.71073","MoKα","","0.0361","0.0326","","","0.1243","0.1329","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220457","5.6453","0.0013","40.2","0.009","7.6789","0.0019","90","","90","","90","","1742.7","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H16 Co O8 -","- C20 H16 Co O8 -","- C80 H64 Co4 O32 -","4","0.5","","Bing, Yingying; Yu, Meihui; ming, hu","Synthesis, structures, and properties of seven transition metal coordination polymers based on a long semirigid dicarboxylic acid ligand","RSC Adv.","2015","","","","","10.1039/C5RA06012E","","","0.71073","MoKα","","0.059","0.038","","","0.0813","0.0868","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220508","12.725","0.005","18.008","0.008","13.521","0.006","90","","90","","90","","3098","2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H15.5 Cu0.5 N2.5 O3 -","- C16 H12.5 Cu0.5 N2.5 O3 -","- C128 H100 Cu4 N20 O24 -","8","1","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0599","0.0483","","","0.1104","0.1191","","","","","","1.074","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220568","25.786","0.005","21.045","0.004","7.4123","0.0015","90","","90","","90","","4022.4","1.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28.5 H25.5 Cd2 Cl N9.5 O8.5 -","- C27 H18 Cd2 Cl N9 O6 -","- C108 H72 Cd8 Cl4 N36 O24 -","4","0.5","","Zhu, Ai-Xin; Qiu, Zhen-Zhe; Yang, Li-Bo; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Li, Qiu-Xia","A luminescent cadmium(ii) metal‒organic framework based on a triazolate‒carboxylate ligand exhibiting selective gas adsorption and guest-dependent photoluminescence properties","CrystEngComm","2015","17","26","4787","","10.1039/C5CE00405E","","","0.71073","MoKα","","0.0643","0.0523","","","0.1243","0.1287","","","","","","1.123","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220603","9.3444","0.0019","17.647","0.004","7.356","0.0015","90","","90","","90","","1213","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H3 Mn0.5 N5 O S0.5 -","- C3 H3 Mn0.5 N5 O S0.5 -","- C24 H24 Mn4 N40 O8 S4 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.026","0.023","","","0.0565","0.0576","","","","","","1.089","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220768","15.5417","0.0014","13.3677","0.0012","20.7728","0.0019","90","","90","","90","","4315.7","0.7","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H18 Cl2 N2 O8 -","- C8 H18 Cl2 N2 O8 -","- C96 H216 Cl24 N24 O96 -","12","1.5","","chen, lizhuang; Cao, Xing-Xing; Huang, Deng-Deng; Pan, Qi-Jian","Temperature-induced reversible structural phase transition of 1,4-dimethyl-1,4-diazabicyclo[2.2.2]octane bis(perchlorate)","RSC Adv.","2015","","","","","10.1039/C5RA07526B","","","0.71073","MoKα","","0.106","0.0787","","","0.1863","0.2117","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221001","32.452","0.003","21.855","0.002","12.2907","0.0012","90","","90","","90","","8717","1.4","298","2","298","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C10 H32 Mn2 Mo18 N6 O79 P6 Sr -","- C10 H32 Mn2 Mo18 N6 O79 P6 Sr -","- C40 H128 Mn8 Mo72 N24 O316 P24 Sr4 -","4","0.5","","Yu, Kai; Zhang, He; Lv, Jinghua; Gong, Li-hong; Wang, Chunmei; wang, chunxiao; Wang, Lu; Zhou, Baibin","High-Efficiency Photo- and Electro-catalytic Material Based on Basket-Liked {SrP6Mo18O73} Cage","RSC Adv.","2015","","","","","10.1039/C5RA09573E","","","0.71073","MoKα","","0.0821","0.0634","","","0.1067","0.1141","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221065","5.87766","","7.66068","","5.41051","","90","","90","","90","","243.618","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Nd Mn0.96 O2.886","","- Mn0.96 Nd O2.886 -","- Mn0.96 Nd O2.886 -","- Mn3.84 Nd4 O11.544 -","4","0.5","","Maguire, E.T.; Coats, A.M.; West, A.R.; Skakle, J.M.S.","Stoichiometry and defect structure of 'Nd Mn O3'","Journal of Materials Chemistry","1999","9","","1337","1346","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221066","5.78808","","7.5564","","5.41013","","90","","90","","90","","236.623","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Nd0.984 Mn O2.915","","- Mn Nd0.984 O2.915 -","- Mn Nd0.984 O2.915 -","- Mn4 Nd3.936 O11.66 -","4","0.5","","Maguire, E.T.; Coats, A.M.; Skakle, J.M.S.; West, A.R.","Stoichiometry and defect structure of 'Nd Mn O3'","Journal of Materials Chemistry","1999","9","","1337","1346","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221113","15.625","","14.979","","21.678","","90","","90","","90","","5073.67","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ga13 Na7 -","- Ga13 Na7 -","- Ga156 Na84 -","12","1.5","","Frank-Cordier, U.; Cordier, G.; Schaefer, H.","Neue Ga-Cluster-Verbaende im Na7 Ga13 - II","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1982","37","","127","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221146","9.868","","7.607","","14.94","","90","","90","","90","","1121.48","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Rb2 Mo3 O10 H2 O","","- H2 Mo3 O11 Rb2 -","- Mo3 O11 Rb2 -","- Mo12 O44 Rb8 -","4","0.5","","Kreusler, H.U.; Foerster, A.; Fuchs, J.","Die Struktur des Rubidiumtrimolybdathydrats Rb2 Mo3 O10 H2 O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1980","35","","242","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","141528","2020-10-21","18:00:00",""
"7221165","9.82","","5.57","","22.79","","90","","90","","90","","1246.55","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Na14.8 Sn4 -","- Na14.8 Sn4 -","- Na29.6 Sn8 -","2","0.25","","Mueller, W.; Volk, K.","Die Struktur der Phase Na3.7 Sn (Na15 Sn4)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1975","30","","494","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221192","23.05","","4.37","","4.46","","90","","90","","90","","449.249","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr Zn Sb2","","- Sb2 Sr Zn -","- Sb2 Sr Zn -","- Sb8 Sr4 Zn4 -","4","0.5","","Brechtel, E.; Cordier, G.; Schaefer, H.","Zur Darstellung und Kristallstruktur des Sr Zn Sb2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","251","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221251","10.152","","3.993","","17.729","","90","","90","","90","","718.679","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K (Hg (N C O)3)","","- C3 Hg K N3 O3 -","- C3 Hg K N3 O3 -","- C12 Hg4 K4 N12 O12 -","4","0.5","","Thiele, G.; Hilfrich, P.","Ueber die Tricyanomercurate K Hg (N C O)3 und Rb Hg (N C O)3. Synthesen, Kristallstrukturen und Schwingungsspektren","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","1239","1243","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221276","5.6387","","7.9664","","5.646","","90","","90","","90","","253.619","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(La1.2 Sr0.8) In Mn O6","","- In La1.2 Mn O6 Sr0.8 -","- In La1.2 Mn O6 Sr0.8 -","- In2 La2.4 Mn2 O12 Sr1.6 -","2","0.25","","Battle, P.D.; Coldea, A.I.; Jordan, N.A.; Rosseinsky, M.J.; Singleton, J.","Synthesis, structural chemistry and magnetic properties of La1+x A1-x In Mn O6-d: A = Ba, Sr; x = 0, 0.2","Journal of Materials Chemistry","2001","11","","1656","1661","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221350","10.343","","12.32","","8.173","","90","","90","","90","","1041.45","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","B3 Cl6 N3 H6","","- B3 Cl6 H6 N3 -","- B3 Cl6 H6 N3 -","- B12 Cl24 H24 N12 -","4","0.5","","Hess, H.; Lux, D.; Schwarz, W.","Die Kristallstruktur von B-Hexachlor-cyclotriborazan, Cl6 B3 N3 H6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","982","984","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221354","10.01","","4.246","","10.91","","90","","90","","90","","463.702","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ba Zn2 As2","","- As2 Ba Zn2 -","- As2 Ba Zn2 -","- As8 Ba4 Zn8 -","4","0.5","","Kluefers, P.; Mewis, A.","Zur Struktur der Verbindungen Ba Zn2 P2 und Ba Zn2 As2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1978","33","","151","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221357","9.72","","4.73","","18.98","","90","","90","","90","","872.617","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 Mn Te3 -","- Ba2 Mn Te3 -","- Ba8 Mn4 Te12 -","4","0.5","","Matje, P.; Schaefer, H.; Mueller, W.","Zur Darstellung und Kristallstruktur von Ba2 Mn Te3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","835","836","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221363","9.96","","7.29","","12.7","","90","","90","","90","","922.127","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)2 W Se4","","- H8 N2 Se4 W -","- H8 N2 Se4 W -","- H32 N8 Se16 W4 -","4","0.5","","Mueller, A.; Krebs, B.; Beyer, H.","Die Kristallstruktur von Ammoniumtetraselenowolframat","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1968","23","","1537","1538","","","","","","","","","","","","","","","","","","","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7221377","9.599","","7.009","","12.288","","90","","90","","90","","826.729","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)2 (Mo S4)","","- H8 Mo N2 S4 -","- H8 Mo N2 S4 -","- H32 Mo4 N8 S16 -","4","0.5","","Schaefer, H.; Schaefer, G.; Weiss, A.","Zur Kristallstruktur von Ammoniumtetrathiomolybdat","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1964","19","","76","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7221389","8.971","","4.221","","18.855","","90","","90","","90","","713.975","","","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","K Hg (C N)2 Cl H2 O","","- C2 H2 Cl Hg K N2 O -","- C2 Cl Hg K N2 O -","- C8 Cl4 Hg4 K4 N8 O4 -","4","0.5","","Thiele, G.; Brodersen, K.; Frohring, H.M.","On cyanohalogenomercurates of alkali metals","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1981","36","","180","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221493","12.6375","","9.7243","","8.4117","","90","","90","","90","","1033.72","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Yb5 Bi3","","- Bi3 Yb5 -","- Bi3 Yb5 -","- Bi12 Yb20 -","4","0.5","","Liang Ying; Cardoso-Gil, R.; Schnelle, W.; Grin', Yu.; Zhao Jingtai; Schmidt, M.","Chemical bonding and physical properties of Yb5 Bi3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2007","62","","935","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","151259","2020-10-21","18:00:00",""
"7221498","5.5702","","7.8793","","5.5599","","90","","90","","90","","244.02","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Bi0.5 Sr0.5) (Co0.5 Ru0.5) O3","","- Bi0.5 Co0.5 O3 Ru0.5 Sr0.5 -","- Bi0.5 Co0.5 O3 Ru0.5 Sr0.5 -","- Bi2 Co2 O12 Ru2 Sr2 -","4","0.5","","Ortega-San Martin, L.; Rodgers, J.A.; Attfield, J.P.","Synthesis, structure and properties of the (Bi0.5 Sr0.5) (Cu0.5 Ru0.5) O3 perovskite","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2008","63","","641","646","","","","","","","","","","","","","","","","","","","","","","has coordinates","151439","2020-10-21","18:00:00",""
"7221516","13.4251","","3.9796","","6.2743","","90","","90","","90","","335.214","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cu Dy S2 -","- Cu Dy S2 -","- Cu4 Dy4 S8 -","4","0.5","","Strobel, S.; Schleid, T.","Muenzmetall-Lanthanid-Chalkogenide: II. Kupfer(I)-Lanthanid(III)-Sulfide der Zusammensetzung Cu M S2 (M = Dy - Lu) im orthorhombischen B-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2007","62","","15","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221517","13.3682","","3.9658","","6.2667","","90","","90","","90","","332.233","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cu Ho S2 -","- Cu Ho S2 -","- Cu4 Ho4 S8 -","4","0.5","","Strobel, S.; Schleid, T.","Muenzmetall-Lanthanid-Chalkogenide: II. Kupfer(I)-Lanthanid(III)-Sulfide der Zusammensetzung Cu M S2 (M = Dy - Lu) im orthorhombischen B-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2007","62","","15","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221518","13.3124","","3.9517","","6.2596","","90","","90","","90","","329.296","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cu Er S2 -","- Cu Er S2 -","- Cu4 Er4 S8 -","4","0.5","","Strobel, S.; Schleid, T.","Muenzmetall-Lanthanid-Chalkogenide: II. Kupfer(I)-Lanthanid(III)-Sulfide der Zusammensetzung Cu M S2 (M = Dy - Lu) im orthorhombischen B-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2007","62","","15","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221519","13.2573","","3.9379","","6.2532","","90","","90","","90","","326.454","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cu Tm S2","","- Cu S2 Tm -","- Cu S2 Tm -","- Cu4 S8 Tm4 -","4","0.5","","Strobel, S.; Schleid, T.","Muenzmetall-Lanthanid-Chalkogenide: II. Kupfer(I)-Lanthanid(III)-Sulfide der Zusammensetzung Cu M S2 (M = Dy - Lu) im orthorhombischen B-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2007","62","","15","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221520","13.2035","","3.9241","","6.247","","90","","90","","90","","323.669","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cu Yb S2","","- Cu S2 Yb -","- Cu S2 Yb -","- Cu4 S8 Yb4 -","4","0.5","","Strobel, S.; Schleid, T.","Muenzmetall-Lanthanid-Chalkogenide: II. Kupfer(I)-Lanthanid(III)-Sulfide der Zusammensetzung Cu M S2 (M = Dy - Lu) im orthorhombischen B-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2007","62","","15","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221521","13.1506","","3.9104","","6.2418","","90","","90","","90","","320.979","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cu Lu S2 -","- Cu Lu S2 -","- Cu4 Lu4 S8 -","4","0.5","","Strobel, S.; Schleid, T.","Muenzmetall-Lanthanid-Chalkogenide: II. Kupfer(I)-Lanthanid(III)-Sulfide der Zusammensetzung Cu M S2 (M = Dy - Lu) im orthorhombischen B-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2007","62","","15","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221584","8.3451","0.0017","19.104","0.004","15.096","0.003","90","","90","","90","","2406.7","0.9","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H12 Cl2 Dy2 N2 O17 -","- C16 H12 Cl2 Dy2 N2 O17 -","- C64 H48 Cl8 Dy8 N8 O68 -","4","0.5","","Liu, Cai-Ming; Zhang, Deqing; Zhu, Daoben","Slow magnetic relaxation of a three-dimensional metal-organic framework featuring a unique dysprosium(III) oxalate layer","RSC Adv.","2015","","","","","10.1039/C5RA11621J","","","0.71073","MoKα","","0.0306","0.0303","","","0.0726","0.0728","","","","","","1.102","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221611","7.7017","0.0003","22.7746","0.0007","11.5195","0.0004","90","","90","","90","","2020.56","0.12","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H18 N0 O11 Zn -","- C22 H18 O11 Zn -","- C88 H72 O44 Zn4 -","4","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.0402","0.0296","","","0.0674","0.072","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221773","11.0433","0.0012","16.6075","0.0019","18.186","0.002","90","","90","","90","","3335.3","0.6","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H22 Cl3 O3 P3 S3 -","- C31 H22 Cl3 O3 P3 S3 -","- C124 H88 Cl12 O12 P12 S12 -","4","0.5","","Sun, Yue; Yan, Meng-Qi; Liu, Yan; Lian, Ze-Yu; Meng, Tong; chen, Jian; Liu, Shenghua; Yu, Guang-Ao","Phenylphosphinacalix[3]trifuran: synthesis, coordination and application in the Suzuki-Miyaura cross-coupling reaction in water","RSC Adv.","2015","","","","","10.1039/C5RA11778J","","","0.71073","MoKα","","0.0825","0.0657","","","0.2091","0.2237","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221940","6.94901","0.00031","5.59224","0.00027","9.46525","0.00043","90","","90","","90","","367.82","0.03","300","","300","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- Al0.05 Ca0.475 Ce0.025 Li0.025 O2 Si0.45 Sr0.475 -","- Al0.05 Ca0.475 Ce0.025 Li0.025 O2 Si0.45 Sr0.475 -","- Al0.4 Ca3.8 Ce0.2 Li0.2 O16 Si3.6 Sr3.8 -","8","1","","Shihai Miao; Zhiguo Xia; Maxim S. Molokeev; Mingyue Chen; Jie Zhang; Quanlin Liu","Effect of Al/Si Substitution on the Structure and Luminescence Properties of CaSrSiO4:Ce3+ Phosphor: Analysis based on the Polyhedral Distortion","Journal of Materials Chemistry C","2015","3","18","4616","4622","10.1039/C5TC00339C","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.73","1.21","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7221941","6.95269","0.00033","5.58722","0.00028","9.45515","0.00045","90","","90","","90","","367.3","0.03","300","","300","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- Al0.005 Ca0.475 Ce0.025 Li0.025 O2 Si0.495 Sr0.475 -","- Al0.005 Ca0.475 Ce0.025 Li0.025 O2 Si0.495 Sr0.475 -","- Al0.04 Ca3.8 Ce0.2 Li0.2 O16 Si3.96 Sr3.8 -","8","1","","Shihai Miao; Zhiguo Xia; Maxim S. Molokeev; Mingyue Chen; Jie Zhang; Quanlin Liu","Effect of Al/Si Substitution on the Structure and Luminescence Properties of CaSrSiO4:Ce3+ Phosphor: Analysis based on the Polyhedral Distortion","Journal of Materials Chemistry C","2015","3","18","4616","4622","10.1039/C5TC00339C","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.44","1.337","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7221942","6.95409","0.00035","5.58264","0.00029","9.45199","0.00048","90","","90","","90","","366.95","0.03","300","","300","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Ca3.8 Ce0.2 Li0.2 O16 Si4 Sr3.8 -","- Ca3.8 Ce0.2 Li0.2 O16 Si4 Sr3.8 -","- Ca3.8 Ce0.2 Li0.2 O16 Si4 Sr3.8 -","1","0.125","","Shihai Miao; Zhiguo Xia; Maxim S. Molokeev; Mingyue Chen; Jie Zhang; Quanlin Liu","Effect of Al/Si Substitution on the Structure and Luminescence Properties of CaSrSiO4:Ce3+ Phosphor: Analysis based on the Polyhedral Distortion","Journal of Materials Chemistry C","2015","3","18","4616","4622","10.1039/C5TC00339C","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.464","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7221946","9.65081","0.00023","3.21627","0.000077","11.30393","0.00032","90","","90","","90","","350.87","0.015","300","","300","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca4 Ho0.02 In7.4 O16 Yb0.4 -","- Ca4 Ho0.02 In7.4 O16 Yb0.4 -","- Ca4 Ho0.02 In7.4 O16 Yb0.4 -","1","0.125","","Ming Guan; Hong Zheng; Zhaohui Huang; Bin Ma; Maxim S. Molokeev; Saifang Huang; Lefu Mei","Ca/Sr ratio dependent structure and up-conversion luminescence of (Ca1-xSrx)In2O4: Yb3+/Ho3+ phosphors","RSC Advances","2015","5","73","59403","59407","10.1039/C5RA08467A","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","5.06","1.929","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7221947","9.67494","0.00049","3.22534","0.00017","11.33068","0.0005","90","","90","","90","","353.57","0.03","300","","300","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Ca3.6 Ho0.02 In7.4 O16 Sr0.4 Yb0.4 -","- Ca3.6 Ho0.02 In7.4 O16 Sr0.4 Yb0.4 -","- Ca3.6 Ho0.02 In7.4 O16 Sr0.4 Yb0.4 -","1","0.125","","Ming Guan; Hong Zheng; Zhaohui Huang; Bin Ma; Maxim S. Molokeev; Saifang Huang; Lefu Mei","Ca/Sr ratio dependent structure and up-conversion luminescence of (Ca1-xSrx)In2O4: Yb3+/Ho3+ phosphors","RSC Advances","2015","5","73","59403","59407","10.1039/C5RA08467A","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.13","1.803","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7221948","9.7188","0.0012","3.23908","0.00038","11.3825","0.0014","90","","90","","90","","358.32","0.08","300","","300","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Ca2.8 Ho0.02 In7.4 O16 Sr1.2 Yb0.4 -","- Ca2.8 Ho0.02 In7.4 O16 Sr1.2 Yb0.4 -","- Ca2.8 Ho0.02 In7.4 O16 Sr1.2 Yb0.4 -","1","0.125","","Ming Guan; Hong Zheng; Zhaohui Huang; Bin Ma; Maxim S. Molokeev; Saifang Huang; Lefu Mei","Ca/Sr ratio dependent structure and up-conversion luminescence of (Ca1-xSrx)In2O4: Yb3+/Ho3+ phosphors","RSC Advances","2015","5","73","59403","59407","10.1039/C5RA08467A","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.98","1.706","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7221976","9.6919","0.0001","16.6752","0.0002","12.9961","0.0002","90","","90","","90","","2100.36","0.05","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 Hg I2 N4 O2 -","- C16 H18 Hg I2 N4 O2 -","- C64 H72 Hg4 I8 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0534","0.0321","","","0.0768","0.0858","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221990","11.61","","7.064","","9.339","","90","","90","","90","","765.92","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs Ga Cl4","","- Cl4 Cs Ga -","- Cl4 Cs Ga -","- Cl16 Cs4 Ga4 -","4","0.5","","Buscher, R.; Lehmann, G.; Henkel, G.; Krebs, B.","Correlation of zero field splittings and site distortions. VII. (Fe Cl4)(-) in Cs Ga Cl4 with crystal structure refinement","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik","1984","39","","1204","1207","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222182","7.576","","4.471","","8.044","","90","","90","","90","","272.469","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na Cd As","","- As Cd Na -","- As Cd Na -","- As4 Cd4 Na4 -","4","0.5","","Krenkel, B.; Tiburtius, C.; Schuster, H.U.","Na Cd As und Tl Cd Sb, ternaere Verbindungen mit modifizierter anti-Pb Cl2-Struktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","1686","1689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222183","8.177","","4.885","","8.514","","90","","90","","90","","340.089","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tl Cd Sb","","- Cd Sb Tl -","- Cd Sb Tl -","- Cd4 Sb4 Tl4 -","4","0.5","","Krenkel, B.; Tiburtius, C.; Schuster, H.U.","Na Cd As Und Tl Cd Sb, ternaere Verbindungen mit modifizierter anti-Pb Cl2-Struktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","1686","1689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222193","7.531","","4.019","","15.658","","90","","90","","90","","473.922","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sm2 S1.82 Se1.18","","- S1.82 Se1.18 Sm2 -","- S1.824 Se1.176 Sm2 -","- S7.296 Se4.704 Sm8 -","4","0.5","","Lissner, F.; Weber, F.A.; Schleid, T.","Drei Formen des Samarium(III)-Sulfidselenids Sm2 S2-x Se1+x (0.1<=x<0.2)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","990","996","","","","","","","","","","","","","","","","","","","","","","has coordinates","157396","2020-10-21","18:00:00",""
"7222195","11.053","","3.992","","10.74","","90","","90","","90","","473.887","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sm2 S1.84 Se1.16","","- S1.84 Se1.16 Sm2 -","- S1.836 Se1.164 Sm2 -","- S7.344 Se4.656 Sm8 -","4","0.5","","Lissner, F.; Weber, F.A.; Schleid, T.","Drei Formen des Samarium(III)-Sulfidselenids Sm2 S2-x Se1+x (0.1<=x<0.2)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","990","996","","","","","","","","","","","","","","","","","","","","","","has coordinates","157402","2020-10-21","18:00:00",""
"7222342","5.5662","","7.5446","","5.232","","90","","90","","90","","219.717","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Yb V O3","","- O3 V Yb -","- O3 V Yb -","- O12 V4 Yb4 -","4","0.5","","Munoz, A.; Alonso, J.A.; Casais, M.T.; Martinez-Lope, M.J.; Martinez, J.L.; Fernandez-Diaz, M.T.","Structural and magnetic transition in Yb V O3: a neutron diffraction study","Journal of Materials Chemistry","2003","13","","1234","1240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222394","10.227","","6.0048","","4.6918","","90","","90","","90","","288.129","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li Fe (P O4)","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.5","","Garcia-Moreno, O.; Gallardo Amores, J.M.; Alvarez-Vega, M.; Sanjuan, M.L.; Garcia-Jaca, J.; Garcia-Alvarado, F.; Amador, U.","Influence of the structure on the electrochemical performance of lithium transition metal phosphates as cathodic materials in rechargeable lithium batteries: a new high-pressure form of Li M P O4 (M = Fe and Ni)","Journal of Materials Chemistry","2001","13","","1570","1576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222457","15.5299","0.0017","7.0738","0.0014","12.0531","0.0017","90","","90","","90","","1324.1","0.4","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H12 N4 S3 -","- C9 H12 N4 S3 -","- C36 H48 N16 S12 -","4","0.5","","Alizadeh, Abdolali; Vahabi, Amir Hossein; Bazgir, Ayoob; Khavasi, Hamid Reza; Zhu, Zhe; Ng, Seik Weng","Highly mild approach towards synthesis of tetrasubstituted thiophenes by an organic salt afforded by cyclic thioureas and ketene dithioacetals","RSC Adv.","2015","5","103","85028","","10.1039/C5RA15544D","","","0.71073","MoKα","","0.101","0.0542","","","0.0981","0.1106","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222489","5.5399","","2.8327","","11.4936","","90","","90","","90","","180.368","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Cr3 C2","","- C2 Cr3 -","- C2 Cr3 -","- C8 Cr12 -","4","0.5","","Glaser, J.; Schmitt, R.; Meyer, H.J.","Neue Strukturverfeinerung und Eigenschaften von Cr3 C2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2003","58","","929","933","","","","","","","","","","","","","","","","","","","","","","has coordinates","161469","2020-10-21","18:00:00",""
"7222492","11.5231","","4.0752","","27.474","","90","","90","","90","","1290.15","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ce6 N3 S4 Br","","- Br Ce6 N3 S4 -","- Br Ce6 N3 S4 -","- Br4 Ce24 N12 S16 -","4","0.5","","Lissner, F.; Schleid, T.","Nitridsulfidhalogenide der leichten Lanthanide vom Typ M6 N3 S4 X (M = La - Nd; X = Cl, Br) mit ausgeordneten Sulfid- und Halogenid-Lagen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","1079","1084","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222493","11.5923","","4.1085","","27.656","","90","","90","","90","","1317.17","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La6 N3 S4 Br","","- Br La6 N3 S4 -","- Br La6 N3 S4 -","- Br4 La24 N12 S16 -","4","0.5","","Lissner, F.; Schleid, T.","Nitridsulfidhalogenide der leichten Lanthanide vom Typ M6 N3 S4 X (M = La - Nd; X = Cl, Br) mit ausgeordneten Sulfid- und Halogenid-Lagen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","1079","1084","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222494","11.3859","","4.0094","","27.113","","90","","90","","90","","1237.72","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Nd6 N3 S4 Br","","- Br N3 Nd6 S4 -","- Br N3 Nd6 S4 -","- Br4 N12 Nd24 S16 -","4","0.5","","Lissner, F.; Schleid, T.","Nitridsulfidhalogenide der leichten Lanthanide vom Typ M6 N3 S4 X (M = La - Nd; X = Cl, Br) mit ausgeordneten Sulfid- und Halogenid-Lagen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","1079","1084","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222495","11.4542","","4.0421","","27.293","","90","","90","","90","","1263.64","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pr6 N3 S4 Br","","- Br N3 Pr6 S4 -","- Br N3 Pr6 S4 -","- Br4 N12 Pr24 S16 -","4","0.5","","Lissner, F.; Schleid, T.","Nitridsulfidhalogenide der leichten Lanthanide vom Typ M6 N3 S4 X (M = La - Nd; X = Cl, Br) mit ausgeordneten Sulfid- und Halogenid-Lagen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","1079","1084","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222499","5.895","","9.628","","11.866","","90","","90","","90","","673.479","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na3 (V S3 O)","","- Na3 O S3 V -","- Na3 O S3 V -","- Na12 O4 S12 V4 -","4","0.5","","Schnabel, S.; Roehr, C.","Gemischte Thio/Oxo-Orthovanadate Na3[VSxO4-x] (x=2, 3): Darstellung - Strukturen - Eigenschaften","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","479","490","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222508","11.179","","3.9133","","24.443","","90","","90","","90","","1069.3","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","La Ni5 As3","","- As3 La Ni5 -","- As3 La Ni5 -","- As24 La8 Ni40 -","8","1","","Babizhetskyy, V.; Guerin, R.; Simon, A.","A new ternary arsenide La Ni5 As3: preparation and crystal struture","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","1103","1108","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222560","13.991","","3.7124","","34.029","","90","","90","","90","","1767.47","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Gd6.044 Ti3.955 O6.268 S9.732","","- Gd6.044 O6.268 S9.732 Ti3.955 -","- Gd6.045 O6.268 S9.732 Ti3.955 -","- Gd24.18 O25.072 S38.928 Ti15.82 -","4","0.5","","Meignen, V.; Meerschaut, A.; Cario, L.; Lafond, A.","Synthesis and crystal structure of a new oxysulfide Gd(6+x) Ti(4-x) S(10-y) O(6+y) (where x = 0.04 and y = 0.27)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","963","968","","","","","","","","","","","","","","","","","","","","","","has coordinates","162483","2020-10-21","18:00:00",""
"7222571","18.213","","15.7784","","9.5248","","90","","90","","90","","2737.16","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ge9 K4 (N H3)9","","- Ge9 H27 K4 N9 -","- Ge9 H27 K4 N9 -","- Ge36 H108 K16 N36 -","4","0.5","","Suchentrunk, C.; Daniels, J.; Korber, N.; Carillo-Cabrera, W.; Somer, M.","Synthesis and Crystal Structures of the Polygermanide Ammoniates K4Ge9 x 9 NH3, Rb4Ge9 x 5 NH3 and Cs6Ge18 x 4 NH3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","277","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222582","7.654","","14.51","","5.846","","90","","90","","90","","649.254","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Na2 S5 -","- Na2 S5 -","- Na8 S20 -","4","0.5","","Boettcher, P.; Keller, R.","Die Kristallstruktur des alpha-Na2 S5","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1984","39","","577","581","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222610","6.4127","","3.7948","","7.277","","90","","90","","90","","177.085","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Nb Ir Si","","- Ir Nb Si -","- Ir Nb Si -","- Ir4 Nb4 Si4 -","4","0.5","","Mishra, R.; Poettgen, R.; Kotzyba, G.","New metal-rich compounds Nb Ir Si, Nb Ir Ge, and Ta Ir Si synthesis, structure and magnetic properties","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","463","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222612","6.4548","","3.8921","","7.4111","","90","","90","","90","","186.187","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Nb Ir Ge","","- Ge Ir Nb -","- Ge Ir Nb -","- Ge4 Ir4 Nb4 -","4","0.5","","Mishra, R.; Poettgen, R.; Kotzyba, G.","New metal-rich compounds Nb Ir Si, Nb Ir Ge, and Ta Ir Si synthesis, structure and magnetic properties","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","463","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222613","6.3811","","3.7869","","7.2678","","90","","90","","90","","175.623","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ta Ir Si","","- Ir Si Ta -","- Ir Si Ta -","- Ir4 Si4 Ta4 -","4","0.5","","Mishra, R.; Kotzyba, G.; Poettgen, R.","New metal-rich compounds Nb Ir Si, Nb Ir Ge, and Ta Ir Si synthesis, structure and magnetic properties","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","463","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222616","7.256","","4.583","","7.854","","90","","90","","90","","261.179","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Yb Pd Sb","","- Pd Sb Yb -","- Pd Sb Yb -","- Pd4 Sb4 Yb4 -","4","0.5","","Mishra, R.; Poettgen, R.; Hoffmann, R.D.; Trill, H.; Eschen, M.; Fickenscher, T.; Mosel, B.D.","Ternary antimonides Yb T Sb (T = Ni, Pd, Pt, Cu, Ag, Au) - synthesis, structure, homogeneity ranges and (121)Sb Mossbauer spectroscopy","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","1215","1223","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222667","11.972","","6.973","","10.388","","90","","90","","90","","867.198","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba K P Se4 -","- Ba K P Se4 -","- Ba4 K4 P4 Se16 -","4","0.5","","Joergens, S.; Mewis, A.","Neue Chalcogenophosphate: KBaPS4, KBaPSe4 und Ba3PO4PSe4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","431","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222668","6.779","","7.108","","12.727","","90","","90","","90","","613.252","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba3 O4 P2 Se4 -","- Ba3 O4 P2 Se4 -","- Ba24 O32 P16 Se32 -","8","1","","Joergens, S.; Mewis, A.","Neue Chalcogenophosphate: K Ba P S4, K Ba P Se4 und Ba3 P O4 P Se4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","431","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222669","11.587","","6.7","","10.118","","90","","90","","90","","785.49","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba K P S4 -","- Ba K P S4 -","- Ba4 K4 P4 S16 -","4","0.5","","Joergens, S.; Mewis, A.","Neue Chalcogenophosphate: KBaPS4, KBaPSe4 und Ba3PO4PSe4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","431","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222690","9.48","","4.16","","18.35","","90","","90","","90","","723.665","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na Hg Cl3","","- Cl3 Hg Na -","- Cl3 Hg Na -","- Cl12 Hg4 Na4 -","4","0.5","","Weiss, A.; Damm, K.","Zur Kenntnis des Natrium-trichloromercurats(II)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1954","9","","82","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222694","7.275","","5.3713","","9.99","","90","","90","","90","","390.371","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ca2 In -","- Ca2 In -","- Ca8 In4 -","4","0.5","","Wendorff, M.; Roehr, C.","Neue Erdalkalimetall-reiche binaere Indide: Ca2 In, Sr28 In11 und Sr5 In3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","619","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222700","11.153","","5.3519","","13.568","","90","","90","","90","","809.87","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Nd Cl (Se O3)","","- Cl Nd O3 Se -","- Cl Nd O3 Se -","- Cl8 Nd8 O24 Se8 -","8","1","","Wickleder, M.S.","Nd Cl Se O3 annd Er Cl Se O3: first chloride-selenites of the rare earth elements","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","1414","1418","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222701","7.2183","","6.9223","","8.7428","","90","","90","","90","","436.854","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Er Cl (Se O3)","","- Cl Er O3 Se -","- Cl Er O3 Se -","- Cl4 Er4 O12 Se4 -","4","0.5","","Wickleder, M.S.","Nd Cl Se O3 and Er Cl Se O3: first chloride-selenites of the rare earth elements","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","1414","1418","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222703","12.8013","","7.9028","","7.2694","","90","","90","","90","","735.417","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Ca (S C N)2 (H2 O)2","","- C2 H4 Ca N2 O2 S2 -","- C2 H4 Ca N2 O2 S2 -","- C8 H16 Ca4 N8 O8 S8 -","4","0.5","","Wickleder, C.; Larsen, P.","Ca (S C N)2 and Ca (S C N)2 * 2(H2 O): crystal structure, thermal behavior and vibrational spectroscopy","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","1419","1426","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222730","6.803","","16.015","","10.418","","90","","90","","90","","1135.04","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ca10 (V O4)2 (V0.8 Fe0.2 O4)4","","- Ca10 Fe0.8 O24 V5.2 -","- Ca10 Fe0.8 O24 V5.2 -","- Ca20 Fe1.6 O48 V10.4 -","2","0.25","","Klepp, K.O.; Harringer, N.A.; Presslinger, H.","Ca10 V5.2 Fe0.8 O24, a novel oxometalate with discrete complex anions","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2003","58","","1112","1116","","","","","","","","","","","","","","","","","","","","","","has coordinates","164572","2020-10-21","18:00:00",""
"7222732","12.5427","","9.029","","6.585","","90","","90","","90","","745.738","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs3 (As O4)","","- As Cs3 O4 -","- As Cs3 O4 -","- As4 Cs12 O16 -","4","0.5","","Emmerling, F.; Idilbi, M.; Roehr, C.","Neue Oxopnictate A(I)3 M(V) O4: Darstellung und Kristallstruktur von A3 As O4 (A = K, Rb, Cs) und K3 Bi O4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","599","604","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222745","16.29","","7.91","","8.77","","90","","90","","90","","1130.05","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Re Cl5 O (P Cl3)","","- Cl8 O P Re -","- Cl8 O P Re -","- Cl32 O4 P4 Re4 -","4","0.5","","Klingelhoefer, P.; Mueller, U.; Dehnicke, K.; Hauck, H.G.","Re Cl5 O P Cl3; IR-Spektrum und Kristallstruktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1984","39","","135","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222757","9.443","","4.452","","16.32","","90","","90","","90","","686.097","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs3 Cl O","","- Cl Cs3 O -","- Cl Cs3 O -","- Cl4 Cs12 O4 -","4","0.5","","Feldmann, C.; Jansen, M.","Darstellung und Kristallstruktur von Cs3 Cl O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1415","1416","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222758","7.459","","4.398","","8.637","","90","","90","","90","","283.334","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Eu Pd Cd","","- Cd Eu Pd -","- Cd Eu Pd -","- Cd4 Eu4 Pd4 -","4","0.5","","Fickenscher, T.; Hoffmann, R.D.; Mishra, R.; Poettgen, R.","Palladium-Cadmium Ordering in REPdCd (RE = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb) and Comparison with Isotypic Indium Compounds","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","275","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222807","7.492","","14.842","","7.803","","90","","90","","90","","867.664","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Ce1.47 Y2.53) Y Si4","","- Ce1.47 Si4 Y3.53 -","- Ce1.474 Si4 Y3.526 -","- Ce5.896 Si16 Y14.104 -","4","0.5","","Rodewald, U.C.; Heying, B.; Johrendt, D.; Hoffmann, R.D.; Poettgen, R.","Ternary rare earth metal silicides RE2 RE'3 Si4 with orthorhombic Sm5 Ge4 or tetragonal Zr5 Si4 type structure","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","174","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","165051","2020-10-21","18:00:00",""
"7222853","9.771","","7.242","","12.223","","90","","90","","90","","864.919","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs2 (Mo O S3)","","- Cs2 Mo O S3 -","- Cs2 Mo O S3 -","- Cs8 Mo4 O4 S12 -","4","0.5","","Krebs, B.; Mueller, A.; Kindler, E.","Kristallstruktur von Cs2 Mo O S3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1970","25","","222","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222862","7.267","","4.273","","8.615","","90","","90","","90","","267.512","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Th S2","","- S2 Th -","- S2 Th -","- S8 Th4 -","4","0.5","","Amoretti, G.; Calestani, G.; Giori, D.C.","The refined structure of Th S2 and the implications on the superposition model analysis of Th S2: Gd(3+) spin Hamiltonian parameters","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik","1984","39","","778","782","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222864","12.809","","4.33","","13.866","","90","","90","","90","","769.05","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr3 In P3","","- In P3 Sr3 -","- In P3 Sr3 -","- In4 P12 Sr12 -","4","0.5","","Cordier, G.; Schaefer, H.; Stelter, M.","Sr3 Ga Sb3 und Sr3 In P3, zwei neue Zintlphasen mit komplexen Anionen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1987","42","","1268","1272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222878","7.98","","3.8","","10.69","","90","","90","","90","","324.164","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca Li Si2 -","- Ca Li Si2 -","- Ca4 Li4 Si8 -","4","0.5","","Mueller, W.; Schaefer, H.; Weiss, A.","Zur Kenntnis der Phasen Ca Li Si2 und Ca Li Ge2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1971","26","","534","536","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222879","8.07","","3.93","","10.77","","90","","90","","90","","341.572","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca Li Ge2","","- Ca Ge2 Li -","- Ca Ge2 Li -","- Ca4 Ge8 Li4 -","4","0.5","","Mueller, W.; Schaefer, H.; Weiss, A.","Zur Kenntnis der Phasen Ca Li Si2 und Ca Li Ge2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1971","26","","534","536","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222902","9.21","","11.03","","9.58","","90","","90","","90","","973.197","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)3 As S4","","- As H12 N3 S4 -","- As H12 N3 S4 -","- As4 H48 N12 S16 -","4","0.5","","Schaefer, H.; Weiss, A.; Schaefer, G.","Die Kristallstruktur von Ammoniumtetrathioarsenat (N H4)3 As S4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1963","18","","665","665","","","","","","","","","","","","","","","","","","","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7222903","9.1","","10.51","","9.01","","90","","90","","90","","861.725","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- K3 P S4 -","- K3 P S4 -","- K12 P4 S16 -","4","0.5","","Schaefer, H.; Schaefer, G.; Weiss, A.","Die Kristallstruktur von Kalium-tetrathiophosphat K3 P S4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1965","20","","811","811","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222904","9.4","","10.79","","9.31","","90","","90","","90","","944.276","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)3 V S4","","- H12 N3 S4 V -","- H12 N3 S4 V -","- H48 N12 S16 V4 -","4","0.5","","Schaefer, H.; Weiss, A.; Moritz, P.","Die Kristallstruktur von Ammoniumtetrathiovanadat (N H4)3 V S4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1965","20","","603","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7222905","5.736","","4.181","","7.949","","90","","90","","90","","190.635","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Rh2 Sb -","- Rh2 Sb -","- Rh8 Sb4 -","4","0.5","","Jeitschko, W.; Altmeyer, R.O.","Rh2 Sb with (anti-)PbCl2-type structure","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1990","45","","947","951","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222928","14.046","","18.411","","14.206","","90","","90","","90","","3673.68","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Sr Cd I4 (H2 O)8","","- Cd H16 I4 O8 Sr -","- Cd I4 O8 Sr -","- Cd8 I32 O64 Sr8 -","8","1","","Thiele, G.; Putzas, D.","Antiprismatische und dodekaedrische Octaaquokationen von Calcium und Strontium in den Kristallstrukturen von Teterahalogencadmaten und -mercuraten","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1988","43","","1224","1234","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222934","8.38","","5.48","","10.04","","90","","90","","90","","461.061","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ba2 Ge -","- Ba2 Ge -","- Ba8 Ge4 -","4","0.5","","Turban, K.; Schaefer, H.","Darstellung und Kristallstruktur des Ba2 Ge","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1973","28","","220","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222978","7.565","","5.81","","12.002","","90","","90","","90","","527.52","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb2 Fe F5","","- F5 Fe Rb2 -","- F5 Fe Rb2 -","- F20 Fe4 Rb8 -","4","0.5","","Herdtweck, E.; Graulich, J.; Babel, D.","Die Kettenstrukturen der ternaeren Eisen(III)fluoride Rb2FeF5 und (CH3NH3)2FeF5","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1990","45","","161","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222980","8.063","","4.817","","8.651","","90","","90","","90","","336","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- K Na Se -","- K Na Se -","- K4 Na4 Se4 -","4","0.5","","Hippler, K.; Vogt, P.; Wortmann, R.; Sabrowsky, H.","Ueber die Interalkalimetallselenide KLiSe und KNaSe","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1989","44","","1607","1609","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222982","7.74","","4.624","","8.406","","90","","90","","90","","300.849","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na Li Te","","- Li Na Te -","- Li Na Te -","- Li4 Na4 Te4 -","4","0.5","","Hitzbleck, R.D.; Vogt, P.; Sabrowsky, H.","Erste Interalkalimetalltelluride: NaLiTe, KLiTe, KNaTe","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1989","44","","1602","1604","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222984","8.521","","5.134","","9.265","","90","","90","","90","","405.314","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- K Na Te -","- K Na Te -","- K4 Na4 Te4 -","4","0.5","","Hitzbleck, R.D.; Vogt, P.; Sabrowsky, H.","Erste Interalkalimetalltelluride: NaLiTe, KLiTe, KNaTe","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1989","44","","1602","1604","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7223311","8.0946","0.0006","16.0439","0.0012","14.1781","0.0011","90","","90","","90","","1841.3","0.2","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H15 Cu N5 O7 -","- C13 H15 Cu N5 O7 -","- C52 H60 Cu4 N20 O28 -","4","0.5","","Zhang, Weichuan; Lu, Xiaoming","Long-lived photoluminescence and high quantum yield of copper(II) complexes with novel nanostructures","RSC Adv.","2015","","","","","10.1039/C5RA23254F","","","0.71073","MoKα","","0.084","0.0573","","","0.1775","0.2148","","","","","","1.118","","","","has coordinates","170415","2020-10-21","18:00:00",""
"7223360","12.6355","0.0004","41.3258","0.0013","20.8981","0.0007","90","","90","","90","","10912.4","0.6","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C90 H82 Cl6 Cu6 N24 O32 -","- C90 H70 Cl5 Cu6 N24 O22 -","- C360 H280 Cl20 Cu24 N96 O88 -","4","0.5","","Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel","Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes","CrystEngComm","2016","18","3","437","","10.1039/C5CE02058A","","","0.71073","MoKα","","0.0808","0.0503","","","0.1401","0.1658","","","","","","1.077","","","","has coordinates,has disorder","175950","2020-10-21","18:00:00",""
"7223407","11.178","0.011","10.166","0.01","12.216","0.012","90","","90","","90","","1388","2","358","2","358","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H15 Cl5 Co N2 -","- C7 H15 Cl5 Co N2 -","- C28 H60 Cl20 Co4 N8 -","4","0.5","","Chen, Chun-Hong; Xu, Guan-Cheng","Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)","CrystEngComm","2016","18","4","550","","10.1039/C5CE02059J","","","0.71073","MoKα","","0.0339","0.0302","","","0.0758","0.0789","","","","","","1.02","","","","has coordinates,has disorder","175947","2020-10-21","18:00:00",""
"7223409","11.19","0.006","10.204","0.006","12.278","0.007","90","","90","","90","","1401.9","1.4","363","2","363","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H15 Cl5 N2 Zn -","- C7 H15 Cl5 N2 Zn -","- C28 H60 Cl20 N8 Zn4 -","4","0.5","","Chen, Chun-Hong; Xu, Guan-Cheng","Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)","CrystEngComm","2016","18","4","550","","10.1039/C5CE02059J","","","0.71073","MoKα","","0.0316","0.0276","","","0.0646","0.0669","","","","","","1.012","","","","has coordinates,has disorder","175947","2020-10-21","18:00:00",""
"7223453","6.7445","0.0004","36.381","0.0019","13.0378","0.0007","90","","90","","90","","3199.1","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H20 N6 O13 Tb2 -","- C34 H20 N6 O13 Tb2 -","- C136 H80 N24 O52 Tb8 -","4","0.5","","Wang, Shengyan; xu, jianing; Fan, Yong; Jia, Jia; Gao, Lijuan; Sun, Jing; Shan, Liang; Chen, Xiaodong; Wang, Li; Seo, Hyo Jin","3D lanthanide metal organic frameworks constructed from lanthanide formate skeleton and 3,5-bis(4’-carboxy-phenyl)-1,2,4-triazole connector: synthesis, structure and luminescence","RSC Adv.","2015","","","","","10.1039/C5RA21557A","","","0.71073","MoKα","","0.0601","0.0491","","","0.1293","0.146","","","","","","1.393","","","","has coordinates","171441","2020-10-21","18:00:00",""
"7223454","6.7503","0.0004","36.407","0.003","13.0761","0.0009","90","","90","","90","","3213.6","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H20 Gd2 N6 O13 -","- C34 H20 Gd2 N6 O13 -","- C136 H80 Gd8 N24 O52 -","4","0.5","","Wang, Shengyan; xu, jianing; Fan, Yong; Jia, Jia; Gao, Lijuan; Sun, Jing; Shan, Liang; Chen, Xiaodong; Wang, Li; Seo, Hyo Jin","3D lanthanide metal organic frameworks constructed from lanthanide formate skeleton and 3,5-bis(4’-carboxy-phenyl)-1,2,4-triazole connector: synthesis, structure and luminescence","RSC Adv.","2015","","","","","10.1039/C5RA21557A","","","0.71073","MoKα","","0.0649","0.0456","","","0.0903","0.0959","","","","","","1.101","","","","has coordinates","171441","2020-10-21","18:00:00",""
"7223493","10.4495","0.0007","19.2758","0.0009","13.2417","0.0008","90","","90","","90","","2667.2","0.3","180.01","0.13","180.01","0.13","","","","","","","","3","P n m a","-P 2ac 2n","62","CMF-3","","","- Cu Mo7 O24 -","- Cu Mo7 O24 -","- Cu4 Mo28 O96 -","4","0.5","","Zhao, Yifang; Yuan, Youyou; Du, Xin; Lin, Xiaohuan; Liao, Fuhui; Xie, Jinglin; Lin, Jianhua; Sun, Junliang","Hydrothermal assembly of various dimensional pure-inorganic copper‒molybdenum frameworks","CrystEngComm","2016","18","4","521","","10.1039/C5CE02213D","","","0.71073","MoKα","","0.0719","0.0532","","","0.1259","0.1347","","","","","","1.049","","","","has coordinates,has disorder","175948","2020-10-21","18:00:00",""
"7223530","15.6323","0.0007","14.7468","0.0007","14.4198","0.0007","90","","90","","90","","3324.1","0.3","183","2","183","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C47 H39 N -","- C47 H39 N -","- C188 H156 N4 -","4","0.5","","Kuck, Dietmar; Linke, Jens; Teichmann, Lisa Christin; Barth, Dieter; Tellenbröker, Jörg; Gestmann, Detlef; Neumann, Beate; Stammler, Hans-Georg; Bögge, Hartmut","Centrohexaindane: six benzene rings mutually fixed in three dimensions - solid-state structure and six-fold nitration.","Physical chemistry chemical physics : PCCP","2016","18","17","11722","11737","10.1039/c5cp07005h","","","0.71073","MoKα","","0.066","0.0576","","","0.1515","0.1614","","","","","","1.047","","","","has coordinates,has disorder","182803","2020-10-21","18:00:00",""
"7223680","11.254","","4.1","","19.826","","90","","90","","90","","914.799","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Al3 Te3 I","","- Al3 I Te3 -","- Al3 I Te3 -","- Al12 I4 Te12 -","4","0.5","","Paashaus, S.; Kniep, R.","Gemischtvalente Telluridhalogenide des Aluminiums, Galliums und Indiums: Verbindungen E3 Te3 Hal auf Gehaltsschnitten E Te - E Te Hal","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1990","45","","667","678","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223681","11.168","","4.102","","19.529","","90","","90","","90","","894.646","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ga3 Te3 I","","- Ga3 I Te3 -","- Ga3 I Te3 -","- Ga12 I4 Te12 -","4","0.5","","Paashaus, S.; Kniep, R.","Gemischtvalente Telluridhalogenide des Aluminiums, Galliums und Indiums: Verbindungen E3 Te3 Hal auf Gehaltsschnitten E Te - E Te Hal","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1990","45","","667","678","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223682","11.641","","4.302","","19.974","","90","","90","","90","","1000.29","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","In3 Te3 I","","- I In3 Te3 -","- I In3 Te3 -","- I4 In12 Te12 -","4","0.5","","Paashaus, S.; Kniep, R.","Gemischtvalente Telluridhalogenide des Aluminiums, Galliums und Indiums: Verbindungen E3 Te3 Hal auf Gehaltsschnitten E Te - E Te Hal","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1990","45","","667","678","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223686","6.21","","4.172","","6.195","","90","","90","","90","","160.501","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(D2 O) (D F)","","- D3 F O -","- D3 F O -","- D12 F4 O4 -","4","0.5","","Poll, W.; Mootz, D.; Lohmeyer, M.","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","176429","2020-10-21","18:00:00",""
"7223759","7.1641","0.0003","16.1044","0.0009","10.7351","0.0007","90","","90","","90","","1238.55","0.12","121.7","0.9","121.7","0.9","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dilithium quinizarin","","- C14 H10 Li2 O6 -","- C14 H10 Li2 O6 -","- C56 H40 Li8 O24 -","4","0.5","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0573","0.0551","","","0.1359","0.1375","","","","","","1.0348","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223760","7.1681","0.0003","16.0902","0.0006","10.7456","0.0006","90","","90","","90","","1239.36","0.1","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,4-dihydroxyanthraquinone dilithium hydrate","","- C7 H5 Li O3 -","- C7 H5 Li O3 -","- C56 H40 Li8 O24 -","8","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.054","0.0528","","","0.1298","0.1305","","","","","","1.0463","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223827","14.4","","8.48","","7.76","","90","","90","","90","","947.589","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Re N F4 Re F5 (N Cl)","","- Cl F9 N2 Re2 -","- Cl F9 N2 Re2 -","- Cl4 F36 N8 Re8 -","4","0.5","","Kafitz, W.; Dehnicke, K.; Schweda, E.; Straehle, J.","Re N F4 * Re F5 (N Cl), ein Nitrido-Nitrenokomplex von Rhenium(VII)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1984","39","","1114","1117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223831","18.83","","3.88","","7.07","","90","","90","","90","","516.537","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Hg2 O (C N)2","","- C2 Hg2 N2 O -","- C2 Hg2 N2 O -","- C8 Hg8 N8 O4 -","4","0.5","","Weiss, A.; Hofmann, G.","Zur Chemie des Quecksilbers XIII. Zur Kenntnis des Quecksilberoxycyanids Hg (C N)2 * Hg O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1960","15","","679","679","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7224023","20.15","0.05","30.14","0.07","11.69","0.03","90","","90","","90","","7100","3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C59 H39 K O28 Tb3 -","- C59 H38 K O28 Tb3 -","- C236 H152 K4 O112 Tb12 -","4","0.5","","Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties","CrystEngComm","2016","18","9","1570","","10.1039/C6CE00006A","","","0.71073","MoKα","","0.1133","0.0609","","","0.1437","0.169","","","","","","1.001","","","","has coordinates","177761","2020-10-21","18:00:00",""
"7224024","19.1","0.003","28.26","0.004","11.1446","0.0019","90","","90","","90","","6015.5","1.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C59 H39 Dy3 K O28 -","- C59 H38 Dy3 K O28 -","- C236 H152 Dy12 K4 O112 -","4","0.5","","Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties","CrystEngComm","2016","18","9","1570","","10.1039/C6CE00006A","","","0.71073","MoKα","","0.1007","0.0587","","","0.1349","0.1544","","","","","","1.048","","","","has coordinates","177761","2020-10-21","18:00:00",""
"7224123","14.582","0.002","22.199","0.003","11.3662","0.0016","90","","90","","90","","3679.3","0.9","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","C32H33B2CoF8N11","","","- C32 H33 B2 Co F8 N11 -","- C32 H33 B2 Co F8 N11 -","- C128 H132 B8 Co4 F32 N44 -","4","0.5","","Shao, Dong; Shi, Le; Zhang, Shao-Liang; Zhao, Xin-Hua; Wu, Dong-Qing; Wei, Xiao-Qin; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three new chain compounds based on a pentagonal bipyramidal Co(ii) building block","CrystEngComm","2016","18","22","4150","","10.1039/C5CE02594J","","","0.71073","MoKα","","0.0668","0.0579","","","0.1688","0.1779","","","","","","1.058","","","","has coordinates","185166","2020-10-21","18:00:00",""
"7224408","16.5611","0.0004","20.8203","0.0008","14.9973","0.0004","90","","90","","90","","5171.2","0.3","123.01","0.1","123.01","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C53 H58 N2 O16 -","- C53 H58 N2 O16 -","- C212 H232 N8 O64 -","4","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.067","0.0542","","","0.149","0.159","","","","","","1.058","","","","has coordinates,has disorder","185191","2020-10-21","18:00:00",""
"7224662","28.2608","0.0003","17.9257","0.0003","10.2348","0.0001","90","","90","","90","","5184.89","0.11","310","2","310","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.49 N1.5 O3 -","- C24 H24 Cl4.486 N1.5 O3 -","- C192 H192 Cl35.888 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","1.54184","CuKα","","0.0894","0.0743","","","0.2093","0.2332","","","","","","1.065","","","","has coordinates,has disorder","185234","2020-10-21","18:00:00",""
"7224663","28.2714","0.0003","17.9408","0.0002","10.2446","0.0001","90","","90","","90","","5196.18","0.09","315","2","315","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.49 N1.5 O3 -","- C24 H24 Cl4.4935 N1.5 O3 -","- C192 H192 Cl35.948 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","1.54184","CuKα","","0.0886","0.0775","","","0.2158","0.2301","","","","","","1.06","","","","has coordinates,has disorder","185234","2020-10-21","18:00:00",""
"7224664","28.2869","0.0004","17.9428","0.0003","10.2513","0.0001","90","","90","","90","","5203.01","0.12","320","2","320","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.5 N1.5 O3 -","- C24 H24 Cl4.5 N1.5 O3 -","- C192 H192 Cl36 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","1.54184","CuKα","","0.1013","0.085","","","0.2402","0.2619","","","","","","1.077","","","","has coordinates,has disorder","185234","2020-10-21","18:00:00",""
"7224665","27.9771","0.001","17.8261","0.0007","10.0751","0.0003","90","","90","","90","","5024.7","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.5 N1.5 O3 -","- C24 H24 Cl4.5 N1.5 O3 -","- C192 H192 Cl36 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","0.71073","MoKα","","0.0565","0.04","","","0.0932","0.103","","","","","","1.024","","","","has coordinates","185234","2020-10-21","18:00:00",""
"7224682","7.075148","0.000088","5.664368","0.000077","9.73139","0.00013","90","","90","","90","","389.998","0.009","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Eu0.13 O16 Si4 Sr7.89 -","- Eu0.12 O16 Si4 Sr7.88 -","- Eu0.12 O16 Si4 Sr7.88 -","1","0.125","","Zhiguo Xia; Shihai Miao; Maxim S. Molokeev; Mingyue Chen; Quanlin Liu","Structure and luminescence properties of Eu2+ doped LuxSr2-xSiNxO4-x phosphors evolved from chemical unit cosubstitution","Journal of Materials Chemistry C","2016","4","0","1336","1344","10.1039/C5TC04222D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.88","1.43","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7224683","7.073702","0.000073","5.667776","0.000061","9.73626","0.0001","90","","90","","90","","390.348","0.007","300","","300","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Eu0.12 Lu0.02 O16 Si4 Sr7.86 -","- Eu0.13 Lu0.01 O16 Si4 Sr7.86 -","- Eu0.13 Lu0.01 O16 Si4 Sr7.86 -","1","0.125","","Zhiguo Xia; Shihai Miao; Maxim S. Molokeev; Mingyue Chen; Quanlin Liu","Structure and luminescence properties of Eu2+ doped LuxSr2-xSiNxO4-x phosphors evolved from chemical unit cosubstitution","Journal of Materials Chemistry C","2016","4","0","1336","1344","10.1039/C5TC04222D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.09","1.609","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7224696","11.7978","0.0009","26.8599","0.0019","23.7929","0.0017","90","","90","","90","","7539.7","1","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C24 H89 N16 Ni4 O50 P V18 -","- C24 H74 N16 Ni4 O50 P V18 -","- C96 H296 N64 Ni16 O200 P4 V72 -","4","0.5","","zhou, Yang-Yang; Kong, Ya-jie; Jia, Qianqian; Yao, shuang; Yan, Jinghui","Supermolecular assembly of polyoxoanion and metal-organic cationic units towards model of core‒shell nanostructure","RSC Adv.","2016","","","","","10.1039/C6RA00223D","","","0.71073","MoKα","","0.1076","0.0729","","","0.1484","0.1666","","","","","","1.086","","","","has coordinates,has disorder","179296","2020-10-21","18:00:00",""
"7225095","8.2776","0.0004","21.885","0.003","7.16","0.0006","90","","90","","90","","1297.1","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H4 Br0.5 N2 O3 Rb0.5 -","- C4 H4 Br0.5 N2 O3 Rb0.5 -","- C32 H32 Br4 N16 O24 Rb4 -","8","1","","Maini, L.; Braga, D.; Grepioni, F.; Lampronti, G. I.; Gaglioti, K.; Gobetto, R.; Chierotti, M. R.","From isomorphous to “anisomorphous” ionic co-crystals of barbituric acid upon dehydration and return","CrystEngComm","2016","18","24","4651","","10.1039/C6CE00566G","","","0.71073","MoKα","","0.0438","0.0246","","","0.0476","0.0501","","","","","","0.934","","","","has coordinates","185220","2020-10-21","18:00:00",""
"7225209","18.972","0.002","11.8654","0.0013","7.9166","0.0009","90","","90","","90","","1782.1","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H12 F18 N P -","- C10 H12 F18 N P -","- C40 H48 F72 N4 P4 -","4","0.5","","Han, Xue; Ke, Jie; Suleiman, Norhidayah; Levason, William; Pugh, David; Zhang, Wenjian; Reid, Gillian; Licence, Peter; George, Michael W.","Phase behaviour and conductivity of supporting electrolytes in supercritical difluoromethane and 1,1-difluoroethane.","Physical chemistry chemical physics : PCCP","2016","18","21","14359","14369","10.1039/c6cp00466k","","","0.71073","MoKα","","0.0422","0.0391","","","0.1141","0.1176","","","","","","1.1","","","","has coordinates","183793","2020-10-21","18:00:00",""
"7225302","14.7021","0.0011","7.1057","0.0008","9.676","0.0007","90","","90","","90","","1010.84","0.15","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.024","0.0189","","","0.0464","0.0475","","","","","","1.023","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225303","14.7044","0.0011","7.1209","0.0008","9.6716","0.0007","90","","90","","90","","1012.7","0.16","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0245","0.0198","","","0.0481","0.0491","","","","","","1.023","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225304","14.7115","0.0011","7.1415","0.0008","9.6639","0.0007","90","","90","","90","","1015.31","0.16","133","2","133","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0253","0.0203","","","0.0508","0.0519","","","","","","1.024","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225305","14.7211","0.0011","7.1625","0.0008","9.6562","0.0007","90","","90","","90","","1018.15","0.16","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0261","0.0209","","","0.051","0.0523","","","","","","1.034","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225306","14.7279","0.0011","7.1809","0.0008","9.6504","0.0007","90","","90","","90","","1020.62","0.16","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0263","0.0211","","","0.0519","0.053","","","","","","1.041","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225307","14.739","0.0011","7.2001","0.0008","9.6461","0.0007","90","","90","","90","","1023.67","0.16","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0273","0.0218","","","0.0522","0.0536","","","","","","1.065","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225308","14.736","0.002","7.222","0.0011","9.6239","0.0013","90","","90","","90","","1024.2","0.3","213","2","213","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0313","0.0262","","","0.0603","0.0625","","","","","","1.098","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225309","14.755","0.002","7.2394","0.0011","9.6181","0.0013","90","","90","","90","","1027.4","0.3","233","2","233","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0324","0.0268","","","0.0613","0.0638","","","","","","1.099","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225310","14.77","0.002","7.254","0.0011","9.6152","0.0013","90","","90","","90","","1030.2","0.3","253","2","253","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0329","0.0273","","","0.0632","0.0658","","","","","","1.076","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225311","14.787","0.002","7.2696","0.0011","9.6113","0.0013","90","","90","","90","","1033.2","0.3","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0339","0.0272","","","0.0638","0.0663","","","","","","1.081","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225312","14.804","0.002","7.2851","0.0011","9.6112","0.0014","90","","90","","90","","1036.6","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0342","0.0268","","","0.0619","0.0647","","","","","","1.084","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225313","14.815","0.002","7.2951","0.0011","9.6129","0.0013","90","","90","","90","","1038.9","0.3","303","2","303","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0326","0.0266","","","0.0608","0.0631","","","","","","1.123","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225314","14.825","0.002","7.3004","0.0011","9.6126","0.0014","90","","90","","90","","1040.4","0.3","313","2","313","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0334","0.0268","","","0.0624","0.0647","","","","","","1.125","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225315","14.832","0.002","7.3084","0.0011","9.6102","0.0014","90","","90","","90","","1041.7","0.3","323","2","323","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0345","0.0273","","","0.0635","0.0661","","","","","","1.106","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225316","14.841","0.002","7.3153","0.0011","9.61","0.0013","90","","90","","90","","1043.3","0.3","333","2","333","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0341","0.0282","","","0.0651","0.0673","","","","","","1.106","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225317","14.851","0.002","7.3236","0.0011","9.609","0.0013","90","","90","","90","","1045.1","0.3","343","2","343","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0355","0.0282","","","0.0643","0.0671","","","","","","1.098","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225318","14.86","0.002","7.3294","0.0011","9.6098","0.0014","90","","90","","90","","1046.7","0.3","353","2","353","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0359","0.029","","","0.0645","0.067","","","","","","1.094","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225319","14.872","0.002","7.3394","0.0011","9.6071","0.0014","90","","90","","90","","1048.6","0.3","363","2","363","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0356","0.028","","","0.0631","0.0663","","","","","","1.056","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225320","14.877","0.002","7.3463","0.0012","9.6072","0.0014","90","","90","","90","","1050","0.3","373","2","373","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0377","0.0288","","","0.0643","0.0679","","","","","","1.058","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225321","14.881","0.002","7.3506","0.0012","9.6096","0.0014","90","","90","","90","","1051.1","0.3","383","2","383","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.037","0.0288","","","0.0658","0.0689","","","","","","1.053","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225322","14.896","0.003","7.3587","0.0015","9.6062","0.0017","90","","90","","90","","1053","0.4","393","2","393","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0375","0.0287","","","0.0637","0.067","","","","","","1.074","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225378","10.325","0.008","11.063","0.003","6.087","0.001","90","","90","","90","","695.3","0.6","295","2","295","2","360000","","360000","","","","","3","P n m a","-P 2ac 2n","62","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.126","0.1066","","","0.3214","0.3494","","","","","","1.175","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225379","10.21","0.007","11.039","0.003","6.0415","0.0009","90","","90","","90","","680.9","0.5","295","2","295","2","450000","","450000","","","","","3","P n m a","-P 2ac 2n","62","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.1147","0.0997","","","0.3005","0.3193","","","","","","1.095","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225385","10.2536","0.0002","19.8774","0.0004","14.8763","0.0007","90","","90","","90","","3032.01","0.17","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H34 Cu N4 O8 -","- C30 H34 Cu N4 O8 -","- C120 H136 Cu4 N16 O32 -","4","0.5","","Linder-Patton, Oliver M.; Bloch, Witold M.; Coghlan, Campbell J.; Sumida, Kenji; Kitagawa, Susumu; Furukawa, Shuhei; Doonan, Christian J.; Sumby, Christopher J.","Particle size effects in the kinetic trapping of a structurally-locked form of a flexible MOF","CrystEngComm","2016","18","22","4172","","10.1039/C6CE00082G","","","0.7107","MoKα","","0.0643","0.0454","","","0.1215","0.132","","","","","","1.051","","","","has coordinates","183193","2020-10-21","18:00:00",""
"7225386","9.4","0.0002","19.5102","0.0003","14.7022","0.0002","90","","90","","90","","2696.32","0.08","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H16 Cu N4 O12 -","- C21 H16 Cu N4 O12 -","- C84 H64 Cu4 N16 O48 -","4","0.5","","Linder-Patton, Oliver M.; Bloch, Witold M.; Coghlan, Campbell J.; Sumida, Kenji; Kitagawa, Susumu; Furukawa, Shuhei; Doonan, Christian J.; Sumby, Christopher J.","Particle size effects in the kinetic trapping of a structurally-locked form of a flexible MOF","CrystEngComm","2016","18","22","4172","","10.1039/C6CE00082G","","","0.7107","MoKα","","0.0427","0.0354","","","0.0954","0.0996","","","","","","1.11","","","","has coordinates","183193","2020-10-21","18:00:00",""
"7225449","26.52841","0.00017","25.85346","0.00016","7.00906","0.00005","90","","90","","90","","4807.17","0.05","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C50 H44 N4 Ni P2 S5 -","- C50.014 H44.016 N4 Ni P2 S5 -","- C200.056 H176.064 N16 Ni4 P8 S20 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","1.54184","CuKα","","0.0886","0.0861","","","0.2236","0.2246","","","","","","1.211","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225721","26.8635","0.0013","20.0627","0.001","13.1107","0.0006","90","","90","","90","","7066.1","0.6","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H34 Co2 Ge N12 O42 W12 -","- C36 H30 Co2 Ge N12 O40 W12 -","- C144 H120 Co8 Ge4 N48 O160 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71073","MoKα","","0.0907","0.0689","","","0.1701","0.1834","","","","","","1.066","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225722","26.78","0.005","19.963","0.005","12.98","0.005","90","0.005","90","0.005","90","0.005","6939","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H34 B Co2 N12 O42 W12 -","- C36 H30 B Co2 N12 O41 W12 -","- C144 H120 B4 Co8 N48 O164 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.0865","0.0555","","","0.1622","0.178","","","","","","1.161","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225723","26.548","0.005","20.076","0.005","12.964","0.005","90","0.005","90","0.005","90","0.005","6910","3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H38 Co2 N12 O42 W12 -","- C36 H30 Co2 N12 O40 W12 -","- C144 H120 Co8 N48 O160 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.0804","0.0576","","","0.147","0.1613","","","","","","1.057","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225725","26.664","0.005","20.022","0.005","12.937","0.005","90","0.005","90","0.005","90","0.005","6907","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H41 Ag2 B N12 O42 W12 -","- C36 H30 Ag2 B N12 O41 W12 -","- C144 H120 Ag8 B4 N48 O164 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.103","0.0702","","","0.176","0.1995","","","","","","0.834","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225978","6.8924","0.0003","10.06","0.0004","19.7902","0.0008","90","","90","","90","","1372.2","0.1","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H8 Cl N12 Zn2 -","- C6 H8 Cl N12 Zn2 -","- C24 H32 Cl4 N48 Zn8 -","4","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0354","0.0294","","","0.0757","0.0792","","","","","","1.043","","","","has coordinates,has disorder","186344","2020-10-21","18:00:00",""
"7226283","17.5533","0.0019","24.604","0.003","9.7837","0.0006","90","","90","","90","","4225.4","0.7","110","2","110","2","","","","","","","","3","P n m a","-P 2ac 2n","62","(TTN3)(C60)","(TTN3)(C60)","","- C74 H12 S6 -","- C74 H12 S6 -","- C296 H48 S24 -","4","0.5","","Sun, Yantao; Cui, Zili; Chen, Lichuan; Lu, Xiaofeng; Wu, Yuewei; Zhang, Haoli; Shao, Xiangfeng","Aryl-Fused Tetrathianaphthalene (TTN): Synthesis, Structures, Properties, and Cocrystals with Fullerenes","RSC Adv.","2016","","","","","10.1039/C6RA18945H","","","0.71073","MoKα","","0.0909","0.0559","","","0.1136","0.1348","","","","","","1.046","","","","has coordinates","185862","2020-10-21","18:00:00",""
"7226350","10.193","0.0007","5.9188","0.0004","4.6959","0.0003","90","","90","","90","","283.31","0.03","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","lithium cobalt phosphate","lithium cobalt phosphate","","- Co Li O4 P -","- Co Li O4 P -","- Co4 Li4 O16 P4 -","4","0.5","","Ludwig, Jennifer; Marino, Cyril; Haering, Dominik; Stinner, Christoph; Nordlund, Dennis; Doeff, Marca; Gasteiger, Hubert A.; Nilges, Tom","Facile, ethylene glycol-promoted microwave-assisted solvothermal synthesis of high-performance LiCoPO4as a high-voltage cathode material for lithium-ion batteries","RSC Adv.","2016","","","","","10.1039/C6RA19767A","powder diffraction","x-ray","0.7093","MoKα1","","0.0412","0.0409","","0.038","0.038","","","","1.35","","","","","","","has coordinates","185991","2020-10-21","18:00:00",""
"7226351","10.1931","0.0008","5.9195","0.0005","4.6961","0.0004","90","","90","","90","","283.35","0.04","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","lithium cobalt phosphate","lithium cobalt phosphate","","- Co Li O4 P -","- Co Li O4 P -","- Co4 Li4 O16 P4 -","4","0.5","","Ludwig, Jennifer; Marino, Cyril; Haering, Dominik; Stinner, Christoph; Nordlund, Dennis; Doeff, Marca; Gasteiger, Hubert A.; Nilges, Tom","Facile, ethylene glycol-promoted microwave-assisted solvothermal synthesis of high-performance LiCoPO4as a high-voltage cathode material for lithium-ion batteries","RSC Adv.","2016","","","","","10.1039/C6RA19767A","powder diffraction","x-ray","0.7093","MoKα1","","0.0332","0.0331","","0.0358","0.0358","","","","1.54","","","","","","","has coordinates","185991","2020-10-21","18:00:00",""
"7226352","10.1852","0.0009","5.9114","0.0005","4.6913","0.0004","90","","90","","90","","282.46","0.04","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","lithium cobalt phosphate","lithium cobalt phosphate","","- Co Li O4 P -","- Co Li O4 P -","- Co4 Li4 O16 P4 -","4","0.5","","Ludwig, Jennifer; Marino, Cyril; Haering, Dominik; Stinner, Christoph; Nordlund, Dennis; Doeff, Marca; Gasteiger, Hubert A.; Nilges, Tom","Facile, ethylene glycol-promoted microwave-assisted solvothermal synthesis of high-performance LiCoPO4as a high-voltage cathode material for lithium-ion batteries","RSC Adv.","2016","","","","","10.1039/C6RA19767A","powder diffraction","x-ray","0.7093","MoKα1","","0.0345","0.0344","","0.0362","0.0362","","","","1.81","","","","","","","has coordinates","185991","2020-10-21","18:00:00",""
"7226392","12.0794","0.0012","8.0555","0.0009","20.207","0.003","90","","90","","90","","1966.3","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H20 Ho2 O19 -","- C9 H6 Ho2 O19 -","- C36 H24 Ho8 O76 -","4","0.5","","Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal growth and structural remarks on malonate-based lanthanide coordination polymers","CrystEngComm","2016","18","40","7831","","10.1039/C6CE01360K","","x-ray","0.71073","Mokα","","0.0376","0.0333","","","0.0814","0.0831","","","","","","1.227","","","","has coordinates","188096","2020-10-21","18:00:00",""
"7226484","8.2498","0.0003","22.5592","0.0007","8.7439","0.0003","90","","90","","90","","1627.32","0.1","150.01","0.1","150.01","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","phenyl beta-aminobisulfonate","","- C10 H17 K2 N O8 S2 -","- C10 H17 K2 N O8 S2 -","- C40 H68 K8 N4 O32 S8 -","4","0.5","","Cardona, Maria A.; Kveder, Marina; Baisch, Ulrich; Probert, Michael R.; Magri, David C.","Water-soluble β-aminobisulfonate building blocks for pH and Cu2+indicators","RSC Adv.","2016","6","88","84712","","10.1039/C6RA17791C","","x-ray","0.71073","MoKα","","0.0308","0.0242","","","0.0567","0.0606","","","","","","1.082","","","","has coordinates","186218","2020-10-21","18:00:00",""
"7226595","7.9441","0.0006","10.5453","0.0003","15.663","0.0006","90","","90","","90","","1312.14","0.12","180.15","","180.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H8 I3 N Pb -","- C6 H8 I3 N Pb -","- C24 H32 I12 N4 Pb4 -","4","0.5","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0326","0.0256","","","0.0613","0.0635","","","","","","0.975","","","","has coordinates,has disorder","188108","2020-10-21","18:00:00",""
"7226597","8.2011","0.0005","24.015","0.002","9.0459","0.0005","90","","90","","90","","1781.6","0.2","180.15","","180.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H10 Br6 N2 Pb -","- C10 H10 Br6 N2 Pb -","- C40 H40 Br24 N8 Pb4 -","4","0.5","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.1123","0.0805","","","0.1887","0.204","","","","","","0.955","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226661","14.6879","0.0003","18.3871","0.0004","12.6439","0.0003","90","","90","","90","","3414.71","0.13","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H31 N7 O6 S2 Sn -","- C35 H31 N7 O6 S2 Sn -","- C140 H124 N28 O24 S8 Sn4 -","4","0.5","","Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.","Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes","CrystEngComm","2016","18","43","8419","","10.1039/C6CE01567K","","","0.71073","MoKα","","0.0309","0.0248","","","0.0566","0.0586","","","","","","1.052","","","","has coordinates","188082","2020-10-21","18:00:00",""
"7226708","26.012","0.003","6.7475","0.0008","16.049","0.0018","90","","90","","90","","2816.9","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H14 N3 O2 -","- C15 H14 N3 O2 -","- C120 H112 N24 O16 -","8","1","","Feng, Haiyan; Wang, Tao; Chen, Songtao; Huang, Yangfei; Yu, Weijie; huang, yuanyuan; Xiong, Fei","Copper-catalyzed [3+2] cycloaddition reaction: Synthesis of substituted pyrazolo[1,5-c]quinazolines with N-iminoquinazolinium ylide and olefin as starting materials","RSC Adv.","2016","","","","","10.1039/C6RA22006A","","","0.71073","MoKα","","0.0949","0.0627","","","0.1571","0.1943","","","","","","1.002","","","","has coordinates","186901","2020-10-21","18:00:00",""
"7227106","8.736","0.003","11.763","0.004","7.871","0.003","90","","90","","90","","808.8","0.5","360","2","360","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H8 Fe N2 O6 -","- C3 H8 Fe N2 O6 -","- C12 H32 Fe4 N8 O24 -","4","0.5","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","","0.71073","MoKα","","0.0384","0.0282","","","0.0737","0.0788","","","","","","1.102","","","","has coordinates","190280","2020-10-21","18:00:00",""
"7227443","12.7113","0.0011","9.9296","0.0008","6.5812","0.0006","90","","90","","90","","830.67","0.12","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H6 Cl2 N2 Zn -","- C4 H6 Cl2 N2 Zn -","- C16 H24 Cl8 N8 Zn4 -","4","0.5","","Al-Khafaji, Yahya F.; Elsegood, Mark R. J.; Frese, Josef W. A.; Redshaw, Carl","Ring opening polymerization of lactides and lactones by multimetallic alkyl zinc complexes derived from the acids Ph2C(X)CO2H (X = OH, NH2)","RSC Adv.","2017","7","8","4510","","10.1039/C6RA26746G","","","0.71073","MoKα","","0.0236","0.0199","","","0.0535","0.055","","","","","","1.042","","","","has coordinates","190580","2020-10-21","18:00:00",""
"7227499","12.466","0.009","9.358","0.006","18.136","0.013","90","","90","","90","","2116","3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba8 Ga2 Se18 Sn7 -","- Ba8 Ga2 Se18 Sn7 -","- Ba16 Ga4 Se36 Sn14 -","2","0.25","","Li, Yan-Yan; Wang, Jin-Qiu; Liu, Peng-Fei; Lin, Hua; Chen, Ling; Wu, Li-Ming","Centrosymmetric to noncentrosymmetric structural transformation of new quaternary selenides induced by isolated dimeric [Sn2Se4] units: from Ba8Ga2Sn7Se18 to Ba10Ga2Sn9Se22","RSC Adv.","2017","7","14","8082","","10.1039/C6RA27253C","","","0.71073","MoKα","","0.049","0.0415","","","0.092","0.0959","","","","","","1.137","","","","has coordinates","190876","2020-10-21","18:00:00",""
"7227534","14.7144","0.0006","7.0324","0.0003","21.4403","0.0008","90","","90","","90","","2218.59","0.15","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H28 N6 Ni O S3 -","- C14 H19 N6 Ni O S3 -","- C56 H76 N24 Ni4 O4 S12 -","4","0.5","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0943","0.0484","","","0.1373","0.1795","","","","","","1.094","","","","has coordinates,has disorder","193764","2020-10-21","18:00:00",""
"7227703","7.3859","0.0005","15.9445","0.0012","8.7003","0.0006","90","","90","","90","","1024.59","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- B16 Gd7.5 O48 Sr12 Yb0.5 -","- B16 Gd7.496 O48 Sr12 Yb1.008 -","- B16 Gd7.496 O48 Sr12 Yb1.008 -","1","0.125","","Sun, Shijia; Wei, Qi; Lou, Fei; Huang, Yisheng; Yuan, Feifei; Zhang, Lizhen; Lin, Zhoubin","A promising ultrafast pulse laser crystal with a disordered structure: Yb3+:Sr3Gd2(BO3)4","CrystEngComm","2017","19","12","1620","","10.1039/C7CE00025A","","","0.71073","MoKα","","0.0476","0.0434","","","0.112","0.116","","","","","","1.096","","","","has coordinates,has disorder","195045","2020-10-21","18:00:00",""
"7227813","6.779","0.006","7.648","0.006","20.8582","0.0017","90","","90","","90","","1081.4","1.3","393","2","393","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H28 Cd2 Cl6 N2 -","- C12 H28 Cd2 Cl6 N2 -","- C24 H56 Cd4 Cl12 N4 -","2","0.25","","Lu, Yang; Wang, Zhongxia; Chen, Hai-Peng; Ge, Jia-Zhen","High temperature structural phase transition and dielectric relaxation in an organic‒inorganic hybrid compound: (4-methylpiperidinium)CdCl3","CrystEngComm","2017","19","14","1896","","10.1039/C7CE00053G","","","0.71073","MoKα","","0.1718","0.1328","","","0.1772","0.1945","","","","","","1.319","","","","has coordinates,has disorder","195036","2020-10-21","18:00:00",""
"7227816","9.3812","0.0002","12.9376","0.0003","18.1801","0.0004","90","","90","","90","","2206.52","0.08","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H19 Cu2 N9 O9 -","- C15 H19 Cu2 N9 O9 -","- C60 H76 Cu8 N36 O36 -","4","0.5","","Bovill, Sally M.; Dixey, Richard J. C.; Saines, Paul J.","Three coordination frameworks with copper formate based low dimensional motifs: synthesis, structure and magnetic properties","CrystEngComm","2017","19","13","1831","","10.1039/C6CE01601D","","","0.71073","MoKα","","0.1005","0.0718","","","0.2031","0.2334","","","","","","1.16","","","","has coordinates","195024","2020-10-21","18:00:00",""
"7227818","7.4087","0.0006","7.8568","0.0007","12.3745","0.001","90","","90","","90","","720.3","0.1","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C H7 Cl Cu N2 O6 -","- C H7 Cl Cu N2 O6 -","- C4 H28 Cl4 Cu4 N8 O24 -","4","0.5","","Bovill, Sally M.; Dixey, Richard J. C.; Saines, Paul J.","Three coordination frameworks with copper formate based low dimensional motifs: synthesis, structure and magnetic properties","CrystEngComm","2017","19","13","1831","","10.1039/C6CE01601D","","","0.71073","MoKα","","0.0969","0.0534","","","0.1266","0.214","","","","","","1.177","","","","has coordinates","195024","2020-10-21","18:00:00",""
"7227927","7.2046","0.0001","19.6744","0.0002","13.6407","0.0001","90","","90","","90","","1933.52","0.04","297","2","297","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H22 N2 Ni O10 P2 -","- C14 H22 N2 Ni O10 P2 -","- C56 H88 N8 Ni4 O40 P8 -","4","0.5","","Demadis, Konstantinos D.; Anagnostou, Zafeiria; Panera, Aggeliki; Mezei, Gellert; Kirillova, Marina V.; Kirillov, Alexander M.","Three-component 1D and 2D metal phosphonates: structural variability, topological analysis and catalytic hydrocarboxylation of alkanes","RSC Adv.","2017","7","29","17788","","10.1039/C7RA00738H","","","0.71073","MoKα","","0.0302","0.0243","","","0.0607","0.0643","","","","","","1.067","","","","has coordinates,has disorder","194471","2020-10-21","18:00:00",""
"7227971","22.259","0.002","5.8452","0.0006","4.9451","0.0004","90","","90","","90","","643.4","0.1","298","2","298.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H12 O8 P2 Zn2 -","- C8 H12 O8 P2 Zn2 -","- C16 H24 O16 P4 Zn4 -","2","0.25","","Zhang, Li; Li, Sanying; Liu, Lei; Dong, Jinxiang; Lin, Zhi","Four new zinc (II) diphosphonates obtained via an ionothermal route: crystal structures and phase transformation behaviour","CrystEngComm","2017","","","","","10.1039/C7CE00400A","","","0.71073","MoKα","","0.0627","0.058","","","0.1474","0.1503","","","","","","1.093","","","","has coordinates","194679","2020-10-21","18:00:00",""
"7228140","7.8748","0.0005","10.405","0.0008","19.3554","0.0017","90","","90","","90","","1585.9","0.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H13 I3 N2 Pb -","- C8 H13 I3 N2 Pb -","- C32 H52 I12 N8 Pb4 -","4","0.5","","Duan, Hai-Bao; Yu, Shan-Shan; Liu, Shao-Xian; Zhang, Hui","A multi-functional iodoplumbate-based hybrid crystal: 1-propyl-4-aminopyridinium triiodoplumbate","RSC Adv.","2017","7","37","23234","","10.1039/C7RA03524A","","","0.71073","MoKα","","0.0949","0.0832","","","0.2296","0.246","","","","","","1.12","","","","has coordinates,has disorder","195843","2020-10-21","18:00:00",""
"7228141","7.8013","0.0011","10.2985","0.0015","19.117","0.003","90","","90","","90","","1535.9","0.4","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H13 I3 N2 Pb -","- C8 H13 I3 N2 Pb -","- C32 H52 I12 N8 Pb4 -","4","0.5","","Duan, Hai-Bao; Yu, Shan-Shan; Liu, Shao-Xian; Zhang, Hui","A multi-functional iodoplumbate-based hybrid crystal: 1-propyl-4-aminopyridinium triiodoplumbate","RSC Adv.","2017","7","37","23234","","10.1039/C7RA03524A","","","0.71073","MoKα","","0.0283","0.0231","","","0.0565","0.0584","","","","","","1.094","","","","has coordinates","195843","2020-10-21","18:00:00",""
"7228163","13.4092","0.0004","6.7578","0.0002","7.9577","0.0002","90","","90","","90","","721.1","0.04","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H2 Cl2 I N -","- C5 H2 Cl2 I N -","- C20 H8 Cl8 I4 N4 -","4","0.5","","Hübscher, Jörg; Seichter, Wilhelm; Weber, Edwin","Intermolecular contacts in the crystal structures of specifically varied halogen and protonic group substituted azines","CrystEngComm","2017","","","","","10.1039/C7CE00548B","","","0.71073","MoKα","","0.0168","0.0149","","","0.0352","0.0359","","","","","","1.095","","","","has coordinates","195899","2020-10-21","18:00:00",""
"7228164","14.8774","0.0003","6.7419","0.0002","6.1893","0.0001","90","","90","","90","","620.8","0.02","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H2 Cl I N2 -","- C4 H2 Cl I N2 -","- C16 H8 Cl4 I4 N8 -","4","0.5","","Hübscher, Jörg; Seichter, Wilhelm; Weber, Edwin","Intermolecular contacts in the crystal structures of specifically varied halogen and protonic group substituted azines","CrystEngComm","2017","","","","","10.1039/C7CE00548B","","","0.71073","MoKα","","0.0234","0.0188","","","0.0463","0.0488","","","","","","1.152","","","","has coordinates","195899","2020-10-21","18:00:00",""
"7228468","11.936","0.002","5.4322","0.001","9.1679","0.0018","90","","90","","90","","594.44","0.19","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Fe1.95 Se3 -","- Ba Fe1.95 Se3 -","- Ba4 Fe7.8 Se12 -","4","0.5","","Gao, Juanjuan; Teng, Yifei; Liu, Wei; Chen, Shufan; Tong, Wenming; Li, Min; Zhao, Xudong; Liu, Xiaoyang","The synthesis and magnetic properties of BaFe2Se3 single crystals","RSC Adv.","2017","7","48","30433","","10.1039/C7RA03031B","","","0.71073","MoKα","","0.0452","0.0433","","","0.1063","0.1072","","","","","","1.028","","","","has coordinates","197802","2020-10-21","18:00:00",""
"7228506","13.297","0.002","6.6748","0.0011","19.359","0.003","90","","90","","90","","1718.2","0.5","100","2","100.01","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H11 Cs N2 O7 S2 -","- C14 H11 Cs N2 O7 S2 -","- C56 H44 Cs4 N8 O28 S8 -","4","0.5","","Karothu, Durga Prasad; Jahovic, Ilma; Jovanovski , Gligor; Kaitner, Branko; Naumov, Pance","Ionic Cocrystals of Molecular Saccharin","CrystEngComm","2017","","","","","10.1039/C7CE00627F","","","0.71073","MoKα","","0.0564","0.0559","","","0.1261","0.1262","","","","","","1.366","","","","has coordinates","197898","2020-10-21","18:00:00",""
"7228507","13.113","0.016","6.541","0.008","19.17","0.02","90","","90","","90","","1644","3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H11 N2 O7 Rb S2 -","- C14 H11 N2 O7 Rb S2 -","- C56 H44 N8 O28 Rb4 S8 -","4","0.5","","Karothu, Durga Prasad; Jahovic, Ilma; Jovanovski , Gligor; Kaitner, Branko; Naumov, Pance","Ionic Cocrystals of Molecular Saccharin","CrystEngComm","2017","","","","","10.1039/C7CE00627F","","","0.71073","MoKα","","0.0668","0.0546","","","0.127","0.1299","","","","","","1.344","","","","has coordinates","197898","2020-10-21","18:00:00",""
"7228736","17.2928","0.0009","23.1876","0.001","7.7431","0.0004","90","","90","","90","","3104.8","0.3","100","0.1","100","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","135TIPB-FA","","- C38 H20 F3 I3 -","- C38 H20 F3 I3 -","- C152 H80 F12 I12 -","4","0.5","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.0568","0.043","","","0.0852","0.0929","","","","","","1.037","","","","has coordinates,has disorder","199014","2020-10-21","18:00:00",""
"7228817","5.6848","0.0003","8.0116","0.0002","5.6808","0.0002","90","","90","","90","","258.728","0.018","298","","298","","0","","","","","","","4","P n m a","-P 2ac 2n","62","","Praseodymium Tantalum Oxide Dinitride","","- N2 O Pr Ta -","- N2.00001 O0.99999 Pr Ta -","- N8.00004 O3.99996 Pr4 Ta4 -","4","0.5","","Hojamberdiev, Mirabbos; Bekheet, Maged F.; Hart, Judy N.; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Hasegawa, Masashi; Domen, Kazunari; Teshima, Katsuya","Elucidating the Impact of A-Site Cation Change on Photocatalytic H2 and O2 Evolution Activities of Perovskite-Type LnTaON2 (Ln = La and Pr)","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP03714G","powder diffraction","x-ray","1.54056","CuKα~1,2~","","0.028","","","","","","","","","","","","","","","has coordinates","199431","2020-10-21","18:00:00",""
"7228848","11.9066","0.0006","6.9184","0.0005","10.0338","0.0005","90","","90","","90","","826.53","0.08","220","2","220","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As Ba Cs S4 -","- As Ba Cs S4 -","- As4 Ba4 Cs4 S16 -","4","0.5","","Jiang, Jianqiao; Mei, Dajiang; Gong, Pifu; Lin, Zheshuai; Zhong, Junbo; Wu, Yuandong","Wide band gap design of new chalcogenide compounds: KSrPS4 and CsBaAsS4","RSC Adv.","2017","7","60","38044","","10.1039/C7RA01142C","","","0.71073","MoKα","","0.0322","0.0309","","","0.0768","0.0775","","","","","","1.091","","","","has coordinates","199496","2020-10-21","18:00:00",""
"7228849","16.8214","0.0009","6.6274","0.0005","6.5585","0.0004","90","","90","","90","","731.16","0.08","220","2","220","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- K P S4 Sr -","- K P S4 Sr -","- K4 P4 S16 Sr4 -","4","0.5","","Jiang, Jianqiao; Mei, Dajiang; Gong, Pifu; Lin, Zheshuai; Zhong, Junbo; Wu, Yuandong","Wide band gap design of new chalcogenide compounds: KSrPS4 and CsBaAsS4","RSC Adv.","2017","7","60","38044","","10.1039/C7RA01142C","","","0.71073","MoKα","","0.0326","0.0292","","","0.0749","0.077","","","","","","1.077","","","","has coordinates","199496","2020-10-21","18:00:00",""
"7229212","14.2627","0.0004","13.4623","0.0005","9.8745","0.0007","90","","90","","90","","1895.99","0.16","210","2","210","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","(μ-formato)-(μ-hydroxo)-2-trifluoromethyl-imidazolate-zinc(II) dimethylformamide hemisolvate","","- C6 H6.5 F3 N2.5 O2 Zn -","- C6 H6.5 F3 N2.5 O2 Zn -","- C48 H52 F24 N20 O16 Zn8 -","8","1","","Holdt, Hans-Jurgen; Mondal, Suvendu Sekhar; Hovestadt, Maximilian; Dey, Subarna; Paula, Carolin; Glomb, Sebastian; Kelling, Alexandra; Schilde, Uwe; Janiak, Christoph; Hartmann, Martin","Synthesis of a partially fluorinated ZIF-8 analog for ethane/ethene separation","CrystEngComm","2017","","","","","10.1039/C7CE01438D","","","0.71073","MoKα","","0.0274","0.024","","","0.065","0.067","","","","","","1.01","","","","has coordinates,has disorder","201094","2020-10-21","18:00:00",""
"7229262","9.5028","0.0003","10.7121","0.0004","11.9937","0.0004","90","","90","","90","","1220.9","0.07","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4.74 H6.84 Cu2 N8 S2 -","- C4.728 H6.82 Cu2 N8 S2 -","- C18.912 H27.28 Cu8 N32 S8 -","4","0.5","","Tao, Ye; Li, You; Pang, Xuhong; Li, Haiye; Huang, Fu-Ping; Qin, Huangfei; Bian, He-Dong","Four CuI(ett) Coordination polymorphs and Changes in XRD Upon Hydrothermal Condition Optimization","CrystEngComm","2017","","","","","10.1039/C7CE01595J","","","0.71073","MoKα","","0.0927","0.0875","","","0.2005","0.2028","","","","","","1.247","","","","has coordinates,has disorder","201540","2020-10-21","18:00:00",""
"7229267","16.5983","0.0018","5.4518","0.0006","7.1154","0.0008","90","","90","","90","","643.88","0.12","273","","273","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Cd2 O12 Se4 -","- Ba2 Cd2 O12 Se4 -","- Ba4 Cd4 O24 Se8 -","2","0.25","","Jia, Ying-Jie; Chen, Yi-Gang; Yao, Xiao-Ni; Zhang, Xian-Ming","Alkali Earth MOx (x=6, 7, 9, 12) Polyhedra Tuned Cadmium Selenites with Different Dimensions and Diverse SeO32-Coordinations","CrystEngComm","2017","","","","","10.1039/C7CE01461A","","","0.71073","MoKα","","0.0295","0.0294","","","0.0809","0.081","","","","","","1.135","","","","has coordinates","201573","2020-10-21","18:00:00",""
"7229416","5.42489","0.00002","14.78357","0.00007","5.59289","0.00002","90","","90","","90","","448.546","0.003","300","","300","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","0.5","","Kagomiya, Isao; Hirota, Yuki; Kakimoto, Ken-ichi; Fujii, Kotaro; Shiraiwa, Masahiro; Yashima, Masatomo; Fuwa, Akio; Nakamura, Shin","Weak ferromagnetic ordering in brownmillerite Ca2Fe2O5 and its effect on electric field gradients","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP04520D","powder diffraction","","1.19629","","","0.01106","","","","","","0.01084","0.03456","1.453","","","","","","","has coordinates","202401","2020-10-21","18:00:00",""
"7229445","9.5887","0.0004","6.0522","0.0003","12.6513","0.0006","90","","90","","90","","734.19","0.06","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H10 I N O2 -","- C4 H10 I N O2 -","- C16 H40 I4 N4 O8 -","4","0.5","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.0125","0.011","","","0.0249","0.0252","","","","","","1.135","","","","has coordinates","202457","2020-10-21","18:00:00",""
"7229537","15.322","0.004","7.0479","0.0014","10.105","0.004","90","","90","","90","","1091.2","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H12 Br3 Cd N -","- C5 H12 Br3 Cd N -","- C20 H48 Br12 Cd4 N4 -","4","0.5","","Sun, Xiao-Fen; Wang, Zhongxia; Liao, Wei-Qiang; Li, Peng-Fei; Gao, Jixing; Huang, Yi-Yang; Chen, Hai-Peng; Ye, Heng-Yun; Zhang, Yi","Modulating molecular structures and dielectric transitions in organic‒inorganic hybrid crystals","RSC Advances","2017","7","82","52024","","10.1039/C7RA10616E","","","0.71073","MoKα","","0.0927","0.0537","","","0.1085","0.1198","","","","","","1.041","","","","has coordinates","203000","2020-10-21","18:00:00",""
"7229662","11.5785","0.0004","10.1983","0.0004","6.3875","0.0002","90","","90","","90","","754.24","0.05","305","0.1","305","0.1","","","","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0487","0.036","","","0.1079","0.1114","","","","","","1.098","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229663","11.2102","0.0003","10.0001","0.0003","6.33101","0.00016","90","","90","","90","","709.73","0.03","85","0.5","85","0.5","","","","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0144","0.0122","","","0.0314","0.0318","","","","","","1.148","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229664","10.618","0.003","9.5461","0.0003","5.9958","0.0002","90","","90","","90","","607.74","0.17","295","2","295","2","","","3190000","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0251","0.0201","","","0.0566","0.0601","","","","","","1.137","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229665","10.502","0.003","9.4708","0.0003","5.93353","0.00019","90","","90","","90","","590.16","0.17","295","2","295","2","","","4020000","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.024","0.019","","","0.0406","0.0434","","","","","","1.213","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229666","10.864","0.016","9.7573","0.0012","6.1183","0.0007","90","","90","","90","","648.6","1","295","2","295","2","","","1600000","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.1526","0.0706","","","0.161","0.2183","","","","","","1.048","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229667","11.5358","0.0004","10.1791","0.0003","6.4013","0.0002","90","","90","","90","","751.67","0.04","293","0.1","293","0.1","","","","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0373","0.0286","","","0.0889","0.0911","","","","","","1.121","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229668","11.2254","0.0002","10.0086","0.0002","6.33713","0.00014","90","","90","","90","","711.98","0.02","100","0.1","100","0.1","","","","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0155","0.0128","","","0.0331","0.0442","","","","","","1.397","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229716","28.24","0.03","20.01","0.02","5.663","0.006","90","","90","","90","","3200","6","200","","200","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C41 H33 N3 O3 S -","- C41 H25 N3 O3 S -","- C164 H100 N12 O12 S4 -","4","0.5","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.0937","","","","0.2277","","","","","","1.724","","","","has coordinates","204214","2020-10-21","18:00:00",""
"7229731","6.2278","0.0006","37.44","0.004","7.3546","0.0006","90","","90","","90","","1714.9","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H20 O2 S -","- C20 H20 O2 S -","- C80 H80 O8 S4 -","4","0.5","","Nguyen, Thanh Binh; Retailleau, Pascal","Sulfurative self-condensation of ketones and elemental sulfur: a three-component access to thiophenes catalyzed by aniline acid‒base conjugate pairs","Green Chemistry","2018","20","2","387","","10.1039/C7GC03437G","","","1.54187","CuKα","","0.0954","0.0639","","","0.1663","0.2021","","","","","","0.926","","","","has coordinates,has disorder","230099","2020-10-21","18:00:00",""
"7230093","17.9052","0.0002","25.3476","0.0002","8.9987","0.0001","90","","90","","90","","4084.09","0.07","150.15","","150.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","SuperNova","","- C43 H33 N9 Ni3 O8 -","- C43 H33 N9 Ni3 O8 -","- C172 H132 N36 Ni12 O32 -","4","0.5","","Wang, Kai; Tang, Shen; Hu, Zhao-Bo; Zou, Hua-Hong; Wang, Xiao-Lu; Li, Yan; Zhang, Shu-Hua; Chen, Zi-Lu; Liang, Fu-Pei","A family of 3d metal clusters based on N‒N single bonds bridged quasi-linear trinuclear cores: the Mn analogue displaying single-molecule magnet behavior","RSC Advances","2018","8","12","6218","","10.1039/C7RA12844D","","","0.71073","MoKα","","0.0279","0.0265","","","0.0694","0.0703","","","","","","1.046","","","","has coordinates","206293","2020-10-21","18:00:00",""
"7230186","15.0591","0.0011","6.7221","0.0005","16.0418","0.0012","90","","90","","90","","1623.9","0.2","172","2","172.53","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H20 N4 O7 S -","- C13 H20 N4 O7 S -","- C52 H80 N16 O28 S4 -","4","0.5","","Fu, Qiang; Xu, Xi-kun; Liu, Bao-kai; Guo, Fang","Solid state transformations of different stoichiometric forms of an organic salt formed from 5-sulfosalicylic acid and hexamethylenetetramine upon dehydration and rehydration","CrystEngComm","2018","20","13","1844","","10.1039/C8CE00022K","","","0.71073","MoKα","","0.0367","0.034","","","0.0845","0.0867","","","","","","1.097","","","","has coordinates","229061","2020-10-21","18:00:00",""
"7230277","27.0371","0.0012","7.9845","0.0003","6.4776","0.0003","90","","90","","90","","1398.37","0.1","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C2 H19 Co Mo N6 O11 -","- C2 H19 Co Mo N6 O11 -","- C8 H76 Co4 Mo4 N24 O44 -","4","0.5","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0254","0.0223","","","0.0558","0.0567","","","","","","1.075","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230331","6.1651","0.0012","66.924","0.013","6.833","0.0013","90","","90","","90","","2819.2","0.9","93","2","93","2","","","","","","","non-photochromic","6","P n m a","-P 2ac 2n","62","5Br3SAP-13IBz","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 1,3-diiodobenzene","","- C15 H11 Br I N2 O -","- C15 H11 Br I N2 O -","- C120 H88 Br8 I8 N16 O8 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.6998","","","0.0339","0.0294","","","0.0768","0.0797","","","","","","1.06","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230501","14.7181","0.0007","10.2605","0.0005","12.0651","0.0006","90","","90","","90","","1822.01","0.15","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C96 H92 N4 O8 -","4","0.5","","Kotha, Sambasivarao; Pulletikurti, Sunil","Synthesis of propellanes containing a bicyclo[2.2.2]octene unit via the Diels‒Alder reaction and ring-closing metathesis as key steps","RSC Advances","2018","8","27","14906","","10.1039/C8RA02687D","","x-ray","0.71073","MoKα","","0.056","0.0455","","","0.1211","0.1319","","","","","","1.06","","","","has coordinates","207403","2020-10-21","18:00:00",""
"7230566","5.72409","0.00005","7.91013","0.00008","5.45235","0.00006","90","","90","","90","","246.873","0.004","302","2","302","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Dy O6 Sc2 Tb -","- Dy O6 Sc2 Tb -","- Dy2 O12 Sc4 Tb2 -","2","0.25","","Guguschev, C.; Hidde, J.; Gesing, T. M.; Gogolin, M.; Klimm, D.","Czochralski growth and characterization of TbxGd1−xScO3 and TbxDy1−xScO3 solid-solution single crystals","CrystEngComm","2018","20","20","2868","","10.1039/C8CE00335A","","","0.71073","MoKα","","0.0182","0.0167","","","0.0393","0.0397","","","","","","1.373","","","","has coordinates","229042","2020-10-21","18:00:00",""
"7230625","16.6043","0.0006","26.0628","0.0011","10.8332","0.0005","90","","90","","90","","4688.1","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H46 F12 Mn N6 O6 -","- C40 H46 F12 Mn N6 O6 -","- C160 H184 F48 Mn4 N24 O24 -","4","0.5","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.1058","0.0876","","","0.2445","0.265","","","","","","1.061","","","","has coordinates,has disorder","229114","2020-10-21","18:00:00",""
"7230626","16.3979","0.0007","25.7808","0.0011","10.7851","0.0004","90","","90","","90","","4559.4","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H23 Cu0.5 F6 N3 O3 -","- C20 H23 Cu0.5 F6 N3 O3 -","- C160 H184 Cu4 F48 N24 O24 -","8","1","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.1091","0.0965","","","0.2659","0.2823","","","","","","1.034","","","","has coordinates,has disorder","229114","2020-10-21","18:00:00",""
"7230737","8.9","0.0018","21.14","0.004","15.03","0.003","90","","90","","90","","2827.8","1","293","2","293.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H34 F2 N12 Ni O5 -","- C18 H34 F2 N12 Ni O5 -","- C72 H136 F8 N48 Ni4 O20 -","4","0.5","","Jian, Fang Fang; Liu, E.; Ma, Jun Ying","Interesting fluorine anion water clusters [F−·(H2O)n] in metal complex crystals","CrystEngComm","2018","20","27","3849","","10.1039/C8CE00532J","","","0.71073","MoKα","","0.0418","0.0274","","","0.0775","0.0869","","","","","","1.036","","","","has coordinates","228914","2020-10-21","18:00:00",""
"7230810","11.453","0.005","7.332","0.003","10.107","0.005","90","","90","","90","","848.7","0.7","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C H6 Cl4 Fe N -","- C H6 Cl4 Fe N -","- C4 H24 Cl16 Fe4 N4 -","4","0.5","","Yin, Jie; Shi, Shaozhen; Wei, Jiazhen; He, Guohang; Fan, Lin; Guo, Junxue; Zhang, Kaixuan; Xu, Wenli; Yuan, Cang; Wang, Yunying; Wang, Liwen; Pu, Xipeng; Li, Wenzhi; Zhang, Dafeng; Wang, Jie; Ren, Xiaozhen; Ma, Huiyan; Shao, Xin; Zhou, Huawei","Earth-abundant and environment friendly organic‒inorganic hybrid tetrachloroferrate salt CH3NH3FeCl4: structure, adsorption properties and photoelectric behavior","RSC Advances","2018","8","36","19958","","10.1039/C8RA03498B","","","0.71073","MoKα","","0.0615","0.0393","","","0.0971","0.1092","","","","","","1.069","","","","has coordinates","208046","2020-10-21","18:00:00",""
"7230835","20.6757","0.0004","10.9903","0.0002","11.8544","0.0002","90","","90","","90","","2693.7","0.08","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H44 N4 O P2 S Se2 -","- C18 H44 N4 O P2 S Se2 -","- C72 H176 N16 O4 P8 S4 Se8 -","4","0.5","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0224","0.0187","","","0.0442","0.0456","","","","","","1.024","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230838","21.8437","0.0006","10.7274","0.0003","11.5787","0.0004","90","","90","","90","","2713.19","0.14","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H44 N5 O P2 Se2 -","- C19 H44 N5 O P2 Se2 -","- C76 H176 N20 O4 P8 Se8 -","4","0.5","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0278","0.0223","","","0.0509","0.0527","","","","","","1.073","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230843","20.57","0.003","11.104","0.002","12.117","0.002","90","","90","","90","","2767.6","0.8","240","2","240","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H44 N4 O P2 Se2 -","- C19 H43 N4 O P2 Se2 -","- C76 H172 N16 O4 P8 Se8 -","4","0.5","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0785","0.0384","","","0.0849","0.1037","","","","","","0.984","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230889","7.6089","0.0018","7.2802","0.0017","18.485","0.004","90","","90","","90","","1024","0.4","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H8 N4 O5 Zn -","- C8 H8 N4 O5 Zn -","- C32 H32 N16 O20 Zn4 -","4","0.5","","Wang, Yan-Qin; Wang, Kun; Gao, En-Qing","Mixed metal CoII1−xZnIIx‒organic frameworks based on chains with mixed carboxylate and azide bridges: magnetic coupling and slow relaxation","RSC Advances","2018","8","39","22046","","10.1039/C8RA03273D","","","0.71073","MoKα","","0.0834","0.0438","","","0.104","0.1213","","","","","","1.015","","","","has coordinates","208384","2020-10-21","18:00:00",""
"7231004","9.6161","0.0008","18.9415","0.0018","9.993","0.0009","90","","90","","90","","1820.2","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H25 Br2 Mg N3 O8 -","- C9 H25 Br2 Mg N3 O8 -","- C36 H100 Br8 Mg4 N12 O32 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.1277","0.0506","","","0.1188","0.1662","","","","","","0.892","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231005","9.2414","0.0006","17.6966","0.0013","10.3565","0.0007","90","","90","","90","","1693.7","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H21 Br2 Ca N3 O6 -","- C9 H21 Br2 Ca N3 O6 -","- C36 H84 Br8 Ca4 N12 O24 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.1348","0.0499","","","0.1264","0.179","","","","","","0.945","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231007","9.1728","0.0007","17.8422","0.0014","10.42","0.0008","90","","90","","90","","1705.4","0.2","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C9 H21 Br2 Ca0.61 N3 O6 Sr0.4 -","- C9 H21 Br2 Ca0.605 N3 O6 Sr0.395 -","- C36 H84 Br8 Ca2.42 N12 O24 Sr1.58 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0787","0.0384","","","0.112","0.1421","","","","","","0.895","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231009","9.8652","0.0007","19.267","0.0015","10.3186","0.0008","90","","90","","90","","1961.3","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H25 I2 Mn N3 O8 -","- C9 H25 I2 Mn N3 O8 -","- C36 H100 I8 Mn4 N12 O32 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0916","0.0421","","","0.0964","0.1239","","","","","","0.977","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231018","9.2414","0.0006","17.6966","0.0013","10.3565","0.0007","90","","90","","90","","1693.7","0.2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H21 Br2 Ca N3 O6 -","- C9 H21 Br2 Ca N3 O6 -","- C36 H84 Br8 Ca4 N12 O24 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0333","0.0274","","","0.0902","0.0957","","","","","","0.799","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231019","9.5844","0.0006","18.9445","0.0013","9.9448","0.0006","90","","90","","90","","1805.7","0.2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H25 Br2 Mg N3 O8 -","- C9 H25 Br2 Mg N3 O8 -","- C36 H100 Br8 Mg4 N12 O32 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.051","0.0288","","","0.0868","0.109","","","","","","0.794","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231020","8.9965","0.0007","17.6045","0.0003","10.3191","0.0015","90","","90","","90","","1634.3","0.3","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C9 H21 Ca0.57 Cl2 N3 O6 Sr0.43 -","- C9 H21 Ca0.566 Cl2 N3 O6 Sr0.434 -","- C36 H84 Ca2.264 Cl8 N12 O24 Sr1.736 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0666","0.0522","","","0.146","0.1521","","","","","","1.079","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231021","9.8288","0.0007","19.216","0.0015","10.2845","0.0008","90","","90","","90","","1942.4","0.3","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H25 I2 Mn N3 O8 -","- C9 H25 I2 Mn N3 O8 -","- C36 H100 I8 Mn4 N12 O32 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0799","0.0406","","","0.0947","0.1149","","","","","","0.978","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231054","8.4322","0.0003","12.5613","0.0005","13.9647","0.0005","90","","90","","90","","1479.13","0.1","297","2","297","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","dithiocianato-bis(2-methylimidazole)zinc(II)","","- C10 H12 N6 S2 Zn -","- C10 H12 N6 S2 Zn -","- C40 H48 N24 S8 Zn4 -","4","0.5","","Di Santo, Alejandro; Pérez, Hiram; Echeverría, Gustavo A.; Piro, Oscar E.; Iglesias, Rodrigo A.; Carbonio, Raúl E.; Ben Altabef, Aida; Gil, Diego M.","Exploring weak intermolecular interactions in thiocyanate-bonded Zn(ii) and Cd(ii) complexes with methylimidazole: crystal structures, Hirshfeld surface analysis and luminescence properties","RSC Advances","2018","8","42","23891","","10.1039/C8RA04452J","","x-ray","0.71073","MoKα","","0.0603","0.0368","","","0.0717","0.0796","","","","","","1.064","","","","has coordinates","208737","2020-10-21","18:00:00",""
"7231087","12.4512","0.0009","19.7388","0.0014","14.6081","0.0015","90","","90","","90","","3590.3","0.5","172.8","0.3","172.8","0.3","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C48 H35 N4 O4 -","- C48 H35 N4 O4 -","- C192 H140 N16 O16 -","4","0.5","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.0847","0.0559","","","0.1299","0.1477","","","","","","1.033","","","","has coordinates","229083","2020-10-21","18:00:00",""
"7231286","18.1925","0.0005","40.2091","0.0013","9.548","0.0003","90","","90","","90","","6984.4","0.4","173","0.1","173","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C58 H73 Co3 N14 O20 -","- C58 H73 Co3 N14 O20 -","- C232 H292 Co12 N56 O80 -","4","0.5","","Gao, Xiang; Zhang, Shan-Shan; Yan, Hui; Li, Yun-Wu; Liu, Qing-Yun; Wang, Xing-Po; Tung, Chen-Ho; Ma, Hui-Yan; Sun, Di","A pillar-layered porous CoII-MOF with dual active sites for selective gas adsorption","CrystEngComm","2018","20","34","4905","","10.1039/C8CE01118D","","x-ray","1.54184","CuKα","","0.0847","0.0684","","","0.1865","0.2033","","","","","","1.046","","","","has coordinates,has disorder","229138","2020-10-21","18:00:00",""
"7231343","12.872","0.002","18.867","0.003","9.9383","0.0015","90","","90","","90","","2413.6","0.6","173","2","173.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H32 Cd N4 O4 -","- C24 H32 Cd N4 O4 -","- C96 H128 Cd4 N16 O16 -","4","0.5","","LaDuca, Andrew R.; LaDuca, Robert L.","Nitroaromatic-detecting cadmium cyclohexyldicarboxylate coordination polymers with bis(4-pyridylmethyl)piperazine coligands and unprecedented 2D and 3D topologies","CrystEngComm","2018","20","38","5677","","10.1039/C8CE01041B","","","0.71073","MoKα","","0.0493","0.0357","","","0.0937","0.1046","","","","","","1.062","","","","has coordinates,has disorder","229148","2020-10-21","18:00:00",""
"7231386","19.582","0.0011","20.1291","0.0007","12.0113","0.0004","90","","90","","90","","4734.5","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","tetra(isonicotinato)-di(N,N-dimethylacetamide)-(aqua)-(?3-hydroxo)-tri-cobalt(ii)","","- C32 H37 Cl Co3 N6 O16 -","- C32 H37 Cl Co3 N6 O16 -","- C128 H148 Cl4 Co12 N24 O64 -","4","0.5","","Zhou, Lei; Zhou, Baolei; Cui, Zheng; Qin, Bowen; Zhang, Xiaoying; Li, Wenliang; Zhang, Jingping","Charge control of the formation of two neutral/cationic metal‒organic frameworks based on neutral/cationic triangular clusters and isonicotinic acid: structure, gas adsorption and magnetism","CrystEngComm","2018","20","36","5402","","10.1039/C8CE00997J","","","0.71073","MoKα","","0.0959","0.0786","","","0.2223","0.2356","","","","","","1.061","","","","has coordinates,has disorder","229116","2020-10-21","18:00:00",""
"7231600","23.835","0.005","10.0215","0.0019","12.362","0.002","90","","90","","90","","2952.8","1","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H20 Cd N4 O8 -","- C34 H20 Cd N4 O8 -","- C136 H80 Cd4 N16 O32 -","4","0.5","","Fu, Chen; Zhang, Guo-Shuai; Wang, Hai-Yu; Li, Li; Fu, Jia-Wei; Sun, Ya-Nan; Zhang, Hong","Different photochromic properties induced by lone pair‒π interactions with varying strengths in two stereocontrolled self-assembly isomeric coordination polymers","CrystEngComm","2018","20","42","6821","","10.1039/C8CE01367E","","","0.71073","MoKα","","0.0583","0.0478","","","0.1614","0.1777","","","","","","0.753","","","","has coordinates","228964","2020-10-21","18:00:00",""
"7231662","11.7255","0.0006","8.2616","0.0006","10.4236","0.0007","90","","90","","90","","1009.75","0.11","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H14 Cl N O5 -","- C7 H14 Cl N O5 -","- C28 H56 Cl4 N4 O20 -","4","0.5","","Fan, Guang-Meng; Gao, Ji-Xing; Shi, Chao; Yu, Hui; Ye, Le; Jiang, Jia-Ying; Shuai, Cijun; Zhang, Yi; Ye, Heng-Yun","[C7H14NO][ClO4]: order‒disorder structural change induced sudden switchable dielectric behaviour at room temperature","CrystEngComm","2018","20","44","7058","","10.1039/C8CE01461B","","","0.71073","MoKα","","0.1009","0.0956","","","0.3086","0.3265","","","","","","1.11","","","","has coordinates","228903","2020-10-21","18:00:00",""
"7231930","27.04","0.006","17.777","0.004","8.1345","0.0017","90","","90","","90","","3910.2","1.5","203","2","203","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C44 H32 O10 -","- C44 H32 O10 -","- C176 H128 O40 -","4","0.5","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.0906","0.0649","","","0.1833","0.1964","","","","","","1.076","","","","has coordinates","223738","2020-10-21","18:00:00",""
"7231955","8.3302","0.0009","23.634","0.003","12.8113","0.0014","90","","90","","90","","2522.2","0.5","296","2","296.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H20 Cr N2 O7 S -","- C29 H20 Cr N2 O7 S -","- C116 H80 Cr4 N8 O28 S4 -","4","0.5","","Tang, Jie; Yao, Pengfei; Wang, Lina; Bian, Hedong; Luo, Meiyi; Huang, Fuping","Schiff base complex conjugates of bovine serum albumin as artificial metalloenzymes for eco-friendly enantioselective sulfoxidation","RSC Advances","2018","8","71","40720","","10.1039/C8RA07113F","","","0.71073","MoKα","","0.0758","0.0476","","","0.1251","0.137","","","","","","1.061","","","","has coordinates","212396","2020-10-21","18:00:00",""
"7231992","13.5409","0.0007","12.9814","0.0008","13.6168","0.0008","90","","90","","90","","2393.6","0.2","293","2","293","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C20 H26 Cl F6 Ir N3 O P -","- C20 H26 Cl F6 Ir N3 O P -","- C80 H104 Cl4 F24 Ir4 N12 O4 P4 -","4","0.5","","Huang, Ming; Li, Yinwu; Liu, Jiahao; Lan, Xiao-Bing; Liu, Yan; Zhao, Cunyuan; Ke, Zhuofeng","A bifunctional strategy for N-heterocyclic carbene-stabilized iridium complex-catalyzed N-alkylation of amines with alcohols in aqueous media","Green Chemistry","2019","21","2","219","","10.1039/C8GC02298D","","","0.71073","MoKα","","0.0475","0.0405","","","0.1057","0.1115","","","","","","1.052","","","","has coordinates,has disorder","224608","2020-10-21","18:00:00",""
"7232059","9.9817","0.0012","6.6498","0.0008","15.4052","0.0018","90","","90","","90","","1022.5","0.2","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H11 N3 O3 -","- C10 H11 N3 O3 -","- C40 H44 N12 O12 -","4","0.5","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.0444","0.0388","","","0.1038","0.109","","","","","","1.111","","","","has coordinates","223552","2020-10-21","18:00:00",""
"7232086","14.073","0.0006","6.8273","0.0004","12.0491","0.0007","90","","90","","90","","1157.68","0.11","150","2","150","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","3-(tert-butyl)-2H-naphtho[1,8-bc]furan-2-one","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","0.5","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.064","0.0538","","","0.1367","0.1437","","","","","","1.11","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232453","20.5483","0.0012","16.1886","0.001","4.8655","0.0002","90","","90","","90","","1618.5","0.15","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H14 Ag2 N6 O7 -","- C11 H14 Ag2 N6 O7 -","- C44 H56 Ag8 N24 O28 -","4","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0318","0.025","","","0.0584","0.0626","","","","","","1.027","","","","has coordinates,has disorder","223736","2020-10-21","18:00:00",""
"7232512","7.8033","0.0016","10.566","0.002","5.7294","0.0011","90","","90","","90","","472.39","0.16","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cd2 F2 O3 Se -","- Cd2 F2 O3 Se -","- Cd8 F8 O12 Se4 -","4","0.5","","You, Fengguang; Gong, Pifu; Liang, Fei; Jiang, Xingxing; Tu, Heng; Zhao, Ying; Hu, Zhanggui; Lin, Zheshuai","M2(SeO3)F2 (M = Zn, Cd): understanding the structure directing effect of [SeO3]2− groups on constructing ordered oxyfluorides","CrystEngComm","2019","21","15","2485","","10.1039/C9CE00279K","","","0.71073","MoKα","","0.0354","0.0343","","","0.0824","0.083","","","","","","1.246","","","","has coordinates","223679","2020-10-21","18:00:00",""
"7232513","7.2758","0.0015","10.042","0.002","5.2562","0.0011","90","","90","","90","","384.04","0.14","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F2 O3 Se Zn2 -","- F2 O3 Se Zn2 -","- F8 O12 Se4 Zn8 -","4","0.5","","You, Fengguang; Gong, Pifu; Liang, Fei; Jiang, Xingxing; Tu, Heng; Zhao, Ying; Hu, Zhanggui; Lin, Zheshuai","M2(SeO3)F2 (M = Zn, Cd): understanding the structure directing effect of [SeO3]2− groups on constructing ordered oxyfluorides","CrystEngComm","2019","21","15","2485","","10.1039/C9CE00279K","","","0.71073","MoKα","","0.0244","0.0242","","","0.0621","0.0622","","","","","","1.255","","","","has coordinates","223679","2020-10-21","18:00:00",""
"7232555","12.551","0.001","8.376","0.0004","13.0107","0.0009","90","","90","","90","","1367.78","0.16","297.4","0.3","297.4","","","","","","","","Mineral","4","P n m a","-P 2ac 2n","62","","Curite","","- H8 O32 Pb3.017 U8 -","- H8 O32 Pb3.016 U8 -","- H16 O64 Pb6.032 U16 -","2","0.25","","Ghazisaeed, Seyedayat; Kiefer, Boris; Plášil, Jakub","Revealing hydrogen atoms in a highly-absorbing material: an X-ray diffraction study and Torque method calculations for lead-uranyl-oxide mineral curite","RSC Advances","2019","9","18","10058","","10.1039/C8RA09557D","","x-ray","0.71073","MoKα","","0.0518","0.0358","","","0.0716","0.0758","","","","1.67","1.67","1.56","","","","has coordinates","214425","2020-10-21","18:00:00",""
"7232977","10.66526","0.00025","20.39976","0.00048","6.61154","0.00017","90","","90","","90","","1438.46","0.06","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Alpha-dichlorido-di(3-cyanopyridine)zinc","Alpha-dichlorido-di(3-cyanopyridine)zinc","","- C12 H8 Cl2 N4 Zn -","- C12 H8 Cl2 N4 Zn -","- C48 H32 Cl8 N16 Zn4 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","2.168","1.601","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232980","16.08629","0.00049","3.58737","0.000097","14.19096","0.00054","90","","90","","90","","818.92","0.05","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Catena-bis-chloro-(3-cyanopyridine)cobaltat(II)","catena-bis-chloro-(3-cyanopyridine)cobaltat(II)","","- C6 H4 Cl2 Co N2 -","- C6 H4 Cl2 Co N2 -","- C24 H16 Cl8 Co4 N8 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.6026","1.21","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232984","16.53381","0.00094","3.69328","0.00012","14.45964","0.00092","90","","90","","90","","882.96","0.08","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Catena-bis-chloro-(3-cyanopyridine)manganat(II)","catena-bis-chloro-(3-cyanopyridine)manganat(II)","","- C6 H4 Cl2 Mn N2 -","- C6 H4 Cl2 Mn N2 -","- C24 H16 Cl8 Mn4 N8 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.3538","1.266","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232987","15.90267","0.00041","3.53278","0.000061","14.08069","0.00037","90","","90","","90","","791.06","0.03","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Catena-bis-chloro-(3-cyanopyridine)nickelat(II)","catena-bis-chloro-(3-cyanopyridine)nickelat(II)","","- C6 H4 Cl2 N2 Ni -","- C6 H4 Cl2 N2 Ni -","- C24 H16 Cl8 N8 Ni4 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","1.8494","1.772","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7233101","7.3966","0.0004","19.1784","0.0008","10.1512","0.0004","90","","90","","90","","1440","0.11","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","diaquabis(glycinamide)nickel(II) iodide","","- C4 H16 Co I2 N4 O4 -","- C4 H16 Co I2 N4 O4 -","- C16 H64 Co4 I8 N16 O16 -","4","0.5","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","","0.71073","MoKα","","0.0531","0.0327","","","0.0529","0.0602","","","","","","1.029","","","","has coordinates","217002","2020-10-21","18:00:00",""
"7233106","7.5456","0.0003","18.9706","0.0007","10.1902","0.0003","90","","90","","90","","1458.67","0.09","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","diaquabis(glycinamide)nickel(II) iodide","","- C4 H16 I2 N4 Ni O4 -","- C4 H16 I2 N4 Ni O4 -","- C16 H64 I8 N16 Ni4 O16 -","4","0.5","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","","0.71073","MoKα","","0.0378","0.0299","","","0.065","0.0698","","","","","","1.093","","","","has coordinates","217002","2020-10-21","18:00:00",""
"7233291","9.3323","0.0007","14.8768","0.0011","6.3126","0.0005","90","","90","","90","","876.41","0.12","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H6 N4 O2 -","- C8 H6 N4 O2 -","- C32 H24 N16 O8 -","4","0.5","","Hloušková, Zuzana; Klikar, Milan; Pytela, Oldřich; Almonasy, Numan; Růžička, Aleš; Jandová, Veronika; Bureš, Filip","Structural elaboration of dicyanopyrazine: towards push‒pull molecules with tailored photoredox activity","RSC Advances","2019","9","41","23797","","10.1039/C9RA04731J","","","0.71073","MoKα","","0.0606","0.0431","","","0.1016","0.1093","","","","","","1.073","","","","has coordinates","217344","2020-10-21","18:00:00",""
"7233730","18.5984","0.0005","18.6075","0.0005","3.9545","0.0001","90","","90","","90","","1368.53","0.06","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H7 Br4 N2 O2 -","- C11 H7 Br4 N2 O2 -","- C44 H28 Br16 N8 O8 -","4","0.5","","Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka","Influence of organic cations on stacking of semiquinone radical anions","CrystEngComm","2019","","","","","10.1039/C9CE00919A","","","1.54179","CuKα","","0.0254","0.0243","","","","0.0641","","","","","","1.049","","","","has coordinates","218107","2020-10-21","18:00:00",""
"7233845","9.916","0.002","14.765","0.003","11.093","0.002","90","","90","","90","","1624.1","0.5","153","2","153.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 Cd N10 O10 -","- C5 H16 Cd N10 O10 -","- C20 H64 Cd4 N40 O40 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0805","0.0684","","","0.101","0.1054","","","","","","1.289","","","","has coordinates,has disorder","223555","2020-10-21","18:00:00",""
"7233846","9.826","0.002","14.671","0.003","10.946","0.002","90","","90","","90","","1577.9","0.5","153","2","153.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 Co N10 O10 -","- C5 H16 Co N10 O10 -","- C20 H64 Co4 N40 O40 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0396","0.0385","","","0.0937","0.0945","","","","","","1.069","","","","has coordinates","223555","2020-10-21","18:00:00",""
"7233847","9.775","0.002","14.662","0.003","11.057","0.002","90","","90","","90","","1584.7","0.5","163","2","163.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 N10 O10 Zn -","- C5 H16 N10 O10 Zn -","- C20 H64 N40 O40 Zn4 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0484","0.0437","","","0.0971","0.1003","","","","","","1.121","","","","has coordinates,has disorder","223555","2020-10-21","18:00:00",""
"7233848","9.6991","0.0019","14.573","0.003","11.082","0.002","90","","90","","90","","1566.4","0.5","153","2","153.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 N10 Ni O10 -","- C5 H16 N10 Ni O10 -","- C20 H64 N40 Ni4 O40 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0427","0.04","","","0.0923","0.094","","","","","","1.107","","","","has coordinates,has disorder","223555","2020-10-21","18:00:00",""
"7233869","10.5575","0.00013","14.04189","0.00018","10.3887","0.00013","90","","90","","90","","1540.1","0.03","170","2","170","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H11 Cl3 I N3 -","- C11 H11 Cl3 I N3 -","- C44 H44 Cl12 I4 N12 -","4","0.5","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","0.71073","MoKα","","0.0291","0.023","","","0.0489","0.0517","","","","","","1.056","","","","has coordinates,has disorder","218315","2020-10-21","18:00:00",""
"7233870","10.65379","0.00012","14.07388","0.00014","10.48437","0.0001","90","","90","","90","","1572.03","0.03","290","2","290","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H11 Cl3 I N3 -","- C11 H11 Cl3 I N3 -","- C44 H44 Cl12 I4 N12 -","4","0.5","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","0.71073","MoKα","","0.0314","0.0283","","","0.0823","0.0859","","","","","","0.945","","","","has coordinates,has disorder","218316","2020-10-21","18:00:00",""
"7234055","12.8965","0.0012","29.651","0.003","8.4826","0.0008","90","","90","","90","","3243.7","0.5","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Br","","","- C22 H16 Br Cu N3 S16 -","- C22 H16 Br Cu N3 S16 -","- C88 H64 Br4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0437","0.0418","","","0.0975","0.0984","","","","","","1.179","","","","has coordinates,has disorder","218710","2020-10-21","18:00:00",""
"7234056","12.8991","0.0012","29.754","0.003","8.5025","0.0008","90","","90","","90","","3263.3","0.5","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Br","","","- C22 H16 Br Cu N3 S16 -","- C22 H16 Br Cu N3 S16 -","- C88 H64 Br4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0458","0.0427","","","0.1021","0.1034","","","","","","1.174","","","","has coordinates,has disorder","218711","2020-10-21","18:00:00",""
"7234057","12.9117","0.0012","29.845","0.003","8.5178","0.0008","90","","90","","90","","3282.3","0.5","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Br","","","- C22 H16 Br Cu N3 S16 -","- C22 H16 Br Cu N3 S16 -","- C88 H64 Br4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0477","0.043","","","0.1045","0.1066","","","","","","1.14","","","","has coordinates,has disorder","218712","2020-10-21","18:00:00",""
"7234058","12.9342","0.0013","29.937","0.003","8.5325","0.0008","90","","90","","90","","3303.9","0.6","250","2","250","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Br","","","- C22 H16 Br Cu N3 S16 -","- C22 H16 Br Cu N3 S16 -","- C88 H64 Br4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.051","0.0446","","","0.1061","0.1089","","","","","","1.117","","","","has coordinates,has disorder","218713","2020-10-21","18:00:00",""
"7234059","12.9653","0.0013","30.028","0.003","8.5444","0.0009","90","","90","","90","","3326.5","0.6","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Br","","","- C22 H16 Br Cu N3 S16 -","- C22 H16 Br Cu N3 S16 -","- C88 H64 Br4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0548","0.0463","","","0.1108","0.1148","","","","","","1.077","","","","has coordinates,has disorder","218714","2020-10-21","18:00:00",""
"7234060","12.8852","0.0007","29.5759","0.0017","8.4161","0.0005","90","","90","","90","","3207.3","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Cl","","","- C22 H16 Cl Cu N3 S16 -","- C22 H16 Cl Cu N3 S16 -","- C88 H64 Cl4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0411","0.0394","","","0.1178","0.1196","","","","","","1.059","","","","has coordinates","218715","2020-10-21","18:00:00",""
"7234061","12.8917","0.0007","29.6686","0.0017","8.4335","0.0005","90","","90","","90","","3225.6","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Cl","","","- C22 H16 Cl Cu N3 S16 -","- C22 H16 Cl Cu N3 S16 -","- C88 H64 Cl4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0444","0.0422","","","0.128","0.1307","","","","","","1.071","","","","has coordinates,has disorder","218716","2020-10-21","18:00:00",""
"7234062","12.9062","0.0007","29.7595","0.0016","8.4509","0.0005","90","","90","","90","","3245.8","0.3","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Cl","","","- C22 H16 Cl Cu N3 S16 -","- C22 H16 Cl Cu N3 S16 -","- C88 H64 Cl4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0452","0.042","","","0.1258","0.1303","","","","","","1.049","","","","has coordinates,has disorder","218717","2020-10-21","18:00:00",""
"7234063","12.9262","0.0008","29.848","0.0018","8.4661","0.0005","90","","90","","90","","3266.4","0.3","250","2","250","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Cl","","","- C22 H16 Cl Cu N3 S16 -","- C22 H16 Cl Cu N3 S16 -","- C88 H64 Cl4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0481","0.0436","","","0.1297","0.1359","","","","","","1.042","","","","has coordinates,has disorder","218718","2020-10-21","18:00:00",""
"7234064","12.955","0.0008","29.9368","0.0018","8.4811","0.0005","90","","90","","90","","3289.2","0.3","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Cl","","","- C22 H16 Cl Cu N3 S16 -","- C22 H16 Cl Cu N3 S16 -","- C88 H64 Cl4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0523","0.0458","","","0.138","0.1461","","","","","","1.067","","","","has coordinates,has disorder","218719","2020-10-21","18:00:00",""
"7234244","28.781","0.003","28.635","0.002","25.14","0.002","90","","90","","90","","20719","3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C52 H112 Mo24 N48 O124 Te4 -","- C52 H103 Mo24 N48 O118 Te4 -","- C208 H412 Mo96 N192 O472 Te16 -","4","0.5","","Yanfen Liang; Suzhi Li; Donghui Yang; Pengtao Ma; Jingyang Niu; Jingping Wang","Controllable assembly of multicarboxylic acids functionalized heteropolyoxomolybdates and allochroic properties","Journal of Materials Chemistry C","2015","3","","4632","4639","10.1039/C5TC00297D","","","0.71073","MoKα","","0.0813","0.0532","","","0.1534","0.1712","","","","","","1.081","","","","has coordinates","218930","2020-10-21","18:00:00",""
"7234474","23.161","0.013","9.844","0.006","4.833","0.003","90","","90","","90","","1101.9","1.1","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C14 H9 I -","- C14 H9 I -","- C56 H36 I4 -","4","0.5","","Junwei Yang; Moyun Chen; Ji Ma; Wei Huang; Haoyun Zhu; Yuli Huang; Weizhi Wang","Boronate ester post-functionalization of PPEs: versatile building blocks for poly(2,2'-(1-(4-(1,2-di(thiophen-2-yl)vinyl)phenyl)-2- (2,5-dioctylphenyl)ethene-1,2-diyl)dithiophene) and application in field effect transistors","Journal of Materials Chemistry C","2015","3","","10074","10078","10.1039/C5TC02298C","","","0.71073","MoKα","","0.0349","0.0334","","","0.0778","0.0789","","","","","","1.019","","","","has coordinates","219162","2020-10-21","18:00:00",""
"7234525","12.7268","0.0006","17.1535","0.0007","7.0352","0.0003","90","","90","","90","","1535.85","0.12","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H8 Cl5 Fe N2 O3 -","- C6 H8 Cl5 Fe N2 O3 -","- C24 H32 Cl20 Fe4 N8 O12 -","4","0.5","","Tianliang Chen; Zhihua Sun; Sangen Zhao; Chengmin Ji; Junhua Luo","An organic-inorganic hybrid co-crystal complex as a high-performance solid-state nonlinear optical switch","Journal of Materials Chemistry C","2016","4","","266","271","10.1039/C5TC03278D","","","0.71073","MoKα","","0.0497","0.0421","","","0.1188","0.1272","","","","","","1.045","","","","has coordinates","219249","2020-10-21","18:00:00",""
"7234550","17.121","0.001","6.9428","0.0005","15.446","0.001","90","","90","","90","","1836","0.2","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C80 H68 N12 O12 -","4","0.5","","Martin Ipuy; Yuan-Yuan Liao; Erwann Jeanneau; Patrice L. Baldeck; Yann Bretonniere; Chantal Andraud","Solid state red biphotonic excited emission from small dipolar fluorophores","Journal of Materials Chemistry C","2016","4","","766","779","10.1039/C5TC03465E","","","1.5418","CuKα","","0.0422","0.0392","","0.1128","0.1081","0.1128","","","","","","1.0111","","","","has coordinates","219284","2020-10-21","18:00:00",""
"7234568","25.4112","0.0005","23.8293","0.0004","22.1557","0.0004","90","","90","","90","","13416","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C231 H56 Co2 N8 S6 -","- C231 H56 Co2 N8 S6 -","- C924 H224 Co8 N32 S24 -","4","0.5","","Yu, Wei-Dong; Yan, Qian-Wen; Nie, Yan-Mei; Liang, Shuang; Li, Sang-Hao; Zhang, Yin; Lin, Ming-Yuan; Yan, Jun","Discovery of two types of new porphyrin-C70 co-crystals: influence of intermolecular contact on the inherent resistance","CrystEngComm","2019","","","","","10.1039/C9CE01001G","","","0.71073","MoKα","","0.0559","0.0405","","","0.0984","0.1066","","","","","","1.025","","","","has coordinates","219304","2020-10-21","18:00:00",""
"7234581","7.149","0.003","24.171","0.01","7.334","0.003","90","","90","","90","","1267.3","0.9","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 Cl4 Mn N2 -","- C5 H16 Cl4 Mn N2 -","- C20 H64 Cl16 Mn4 N8 -","4","0.5","","Xing-Hui Lv; Wei-Qiang Liao; Peng-Fei Li; Zhong-Xia Wang; Chen-Yu Mao; Yi Zhang","Dielectric and photoluminescence properties of a layered perovskite-type organic-inorganic hybrid phase transition compound: NH3(CH2)5NH3MnCl4","Journal of Materials Chemistry C","2016","4","","1881","1885","10.1039/C5TC04114G","","","0.71073","MoKα","","0.0323","0.0288","","","0.0789","0.0814","","","","","","1.013","","","","has coordinates","219330","2020-10-21","18:00:00",""
"7234628","13.0779","0.0006","6.7374","0.0003","14.8646","0.0007","90","","90","","90","","1309.74","0.1","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C16 H12 N4 -","- C16 H12 N4 -","- C64 H48 N16 -","4","0.5","","Yang Zhang; Jaume Garcia-Amoros; Burjor Captain; Francisco M. Raymo","A fluorescent and halochromic indolizine switch","Journal of Materials Chemistry C","2016","4","","2744","2747","10.1039/C5TC03331D","","","0.71073","MoKα","","0.042","0.0377","","","0.1014","0.1074","","","","","","1.052","","","","has coordinates","219359","2020-10-21","18:00:00",""
"7234658","7.5283","0.0006","35.261","0.003","18.8417","0.0014","90","","90","","90","","5001.6","0.7","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","2-(9H-carbazol-9-yl)-3,5,5-trimethylcyclohex-2-en-1-one","2-(carbazol-9-yl)-3,5,5-trimethylcycloh ex-2-en-1-one","","- C21 H21 N O -","- C21 H21 N O -","- C252 H252 N12 O12 -","12","1.5","","Wenwei Jin; Peter V. Johnston; Delwin L. Elder; Karl T. Manner; Kerry E. Garrett; Werner Kaminsky; Ruimin Xu; Bruce H. Robinson; Larry R. Dalton","Structure-function relationship exploration for enhanced thermal stability and electro-optic activity in monolithic organic NLO chromophores","Journal of Materials Chemistry C","2016","4","","3119","3124","10.1039/C6TC00358C","","","0.71073","MoKα","","0.0803","0.0715","","","0.1371","0.1414","","","","","","1.23","","","","has coordinates","219384","2020-10-21","18:00:00",""
"7234764","28.1534","0.0016","13.4987","0.0008","31.1648","0.0019","90","","90","","90","","11843.7","1.2","296","2","296.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C30 H83 N6 O75 P2 Re2 W17 -","- C30 N6 O75 P2 Re2 W17 -","- C120 N24 O300 P8 Re8 W68 -","4","0.5","","Niu, Jingyang; Lu, Jingkun; Feng, Junwei; Ma, Xinyi; Wang, Ping; Xu, Baijie; He, Peipei; Jia, Jiage; Ma, Pengtao; Wang, Jingping","A new phoshotungstate-supported rhenium carbonyl derivative: synthesis, characterization and catalytic selective oxidation of thiophenes","CrystEngComm","2019","","","","","10.1039/C9CE01124B","","","0.71073","MoKα","","0.1","0.0606","","","0.1273","0.1463","","","","","","1.086","","","","has coordinates","219503","2020-10-21","18:00:00",""
"7234794","9.24933","0.00017","25.7601","0.0006","8.66218","0.00018","90","","90","","90","","2063.88","0.07","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 S2 -","- C12 H14 Br4 O6 S2 -","- C48 H56 Br16 O24 S8 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","","1.54184","CuKα","","0.0467","0.0453","","","0.1087","0.1093","","","","","","1.121","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234795","9.1624","0.0005","23.482","0.0012","8.993","0.0004","90","","90","","90","","1934.86","0.17","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 -","- C12 H14 Br4 O6 -","- C48 H56 Br16 O24 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","0.71073","MoKα","","0.0344","0.0275","","","0.0688","0.073","","","","","","1.037","","","","has coordinates,has disorder","257436","2020-10-21","18:00:00",""
"7234797","9.27849","0.00019","23.5754","0.0005","8.6023","0.0002","90","","90","","90","","1881.7","0.07","100.02","0.1","100.02","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 -","- C12 H14 Br4 O6 -","- C48 H56 Br16 O24 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","","1.54184","CuKα","","0.0316","0.0294","","","0.079","0.0809","","","","","","1.057","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234798","9.2133","0.0002","25.7139","0.0006","8.9323","0.0002","90","","90","","90","","2116.15","0.08","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 S2 -","- C12 H14 Br4 O6 S2 -","- C48 H56 Br16 O24 S8 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","0.71073","MoKα","","0.065","0.0446","","","0.1124","0.1229","","","","","","1.098","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7235033","16.939","0.011","7.303","0.005","9.723","0.007","90","","90","","90","","1202.8","1.4","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H12 Cd Cl2 N2 O4 S -","- C6 H12 Cd Cl2 N2 O4 S -","- C24 H48 Cd4 Cl8 N8 O16 S4 -","4","0.5","","Cheng Chen; Wan-Ying Zhang; Heng-Yun Ye; Qiong Ye; Da-Wei Fu","Rapid dielectric bistable switching materials without a time/temperature responsive blind area in the linarite-like type molecular large-size single crystals","Journal of Materials Chemistry C","2016","4","","9009","9020","10.1039/C6TC02166B","","","0.71073","MoKα","","0.0475","0.0454","","","0.1492","0.1551","","","","","","1.064","","","","has coordinates","227700","2020-10-21","18:00:00",""
"7235131","8.1795","0.0004","11.5234","0.0006","8.0835","0.0004","90","","90","","90","","761.92","0.07","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","methylammonium formato nickel(ii)","","","- C4 H9 N Ni O6 -","- C4 H9 N Ni O6 -","- C16 H36 N4 Ni4 O24 -","4","0.5","","B. Pato-Doldan; L. C. Gomez-Aguirre; A. P. Hansen; J. Mira; S. Castro-Garcia; M. Sanchez-Andujar; M. A. Senaris-Rodriguez; V. S. Zapf; J. Singleton","Magnetic transitions and isotropic versus anisotropic magnetic behaviour of [CH3NH3][M(HCOO)3] M = Mn2+, Co2+, Ni2+, Cu2+ metal-organic perovskites","Journal of Materials Chemistry C","2016","4","","11164","11172","10.1039/C6TC03992H","","","0.71073","MoKα","","0.0271","0.0215","","","0.0605","0.0661","","","","","","0.807","","","","has coordinates","227876","2020-10-21","18:00:00",""
"7235179","21.8036","0.0014","6.7963","0.0004","13.7863","0.0009","90","","90","","90","","2042.9","0.2","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H15 F6 N7 Pt -","- C19 H15 F6 N7 Pt -","- C76 H60 F24 N28 Pt4 -","4","0.5","","Chung-Hao Tseng; Mark A. Fox; Jia-Ling Liao; Chia-Hao Ku; Zong-Ting Sie; Chih-Hao Chang; Jin-Yun Wang; Zhong-Ning Chen; Gene-Hsiang Lee; Yun Chi","Luminescent Pt(ii) complexes featuring imidazolylidene-pyridylidene and dianionic bipyrazolate: from fundamentals to OLED fabrications","Journal of Materials Chemistry C","2017","5","","1420","1435","10.1039/C6TC05154E","","","0.71073","MoKα","","0.026","0.0221","","","0.0502","0.0517","","","","","","1.051","","","","has coordinates,has disorder","231033","2020-10-21","18:00:00",""
"7235253","16.0537","0.0015","7.2941","0.0006","8.9376","0.0009","90","","90","","90","","1046.57","0.17","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1-Ethyl-2-iodopyridin-1-ium iodide","","- C7 H9 I2 N -","- C7 H9 I2 N -","- C28 H36 I8 N4 -","4","0.5","","Munir, Naima; Masood, Sara; Liaqat, Faroha; Tahir, Muhammad Nawaz; Yousuf, Sammer; Kalsoom, Saima; Mughal, Ehsan Ullah; Sumrra, Sajjad Hussain; Maalik, Aneela; Zafar, Muhammad Naveed","Synthesis of new Pro-PYE ligands as co-catalysts toward Pd-catalyzed Heck‒Mizoroki cross coupling reactions","RSC Advances","2019","9","65","37986","","10.1039/C9RA07912B","","","0.71073","MoKα","","0.021","0.0189","","","0.044","0.0455","","","","","","1.086","","","","has coordinates","231192","2020-10-21","18:00:00",""
"7235622","9.5532","0.0005","24.2453","0.0013","9.5232","0.0004","90","","90","","90","","2205.77","0.19","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H26 O5 S -","- C24 H26 O5 S -","- C96 H104 O20 S4 -","4","0.5","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser‒Eglinton‒Hay sp‒sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.1507","0.0515","","","0.0945","0.1232","","","","","","0.959","","","","has coordinates","233177","2020-10-21","18:00:00",""
"7235655","8.9042","0.0011","12.7757","0.0016","9.2004","0.0011","90","","90","","90","","1046.6","0.2","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H15.33 Mn N O6 -","- C7 H15.33 Mn N O6 -","- C28 H61.32 Mn4 N4 O24 -","4","0.5","","Liu, Jian-Qiang; Wu, Jian; Wang, Jun; Lu, Lu; Daiguebonne, Carole; Calvez, Guillaume; Guillou, Olivier; Sakiyama, Hiroshi; Weng, Ng Seik; Zeller, Matthias","Temperature identification on two 3D Mn(ii) metal‒organic frameworks: syntheses, adsorption and magnetism","RSC Advances","2014","4","39","20605","","10.1039/c4ra02609h","","","0.71073","MoKα","","0.021","0.0198","","","0.0533","0.0539","","","","","","1.209","","","","has coordinates,has disorder","233205","2020-10-21","18:00:00",""
"7235808","12.6154","0.0009","18.5017","0.0014","7.696","0.0005","90","","90","","90","","1796.3","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H12 Cl4 O9 Ti2 -","- C8 H12 Cl4 O9 Ti2 -","- C32 H48 Cl16 O36 Ti8 -","4","0.5","","Liu, Junlei; Cai, Zhiwei; Lv, Yaokang; Zhang, Yujian; Su, Chang; Ouyang, Mi; Zhang, Cheng; Wright, Dominic S.","From a polyoxotitanium cage to TiO2/C composites, a novel strategy for nanoporous materials","Journal of Materials Chemistry A","2015","3","5","1837","","10.1039/C4TA05441E","","","0.71073","MoKα","","0.0491","0.0435","","","0.1079","0.1115","","","","","","1.023","","","","has coordinates","233347","2020-10-21","18:00:00",""
"7235829","17.882","0.005","6.0919","0.0018","9.281","0.003","90","","90","","90","","1011","0.5","163","2","163","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H6 N7 Na O7 -","- C3 H6 N7 Na O7 -","- C12 H24 N28 Na4 O28 -","4","0.5","","Bian, Chengming; Dong, Xiao; Zhang, Xiuhui; Zhou, Zhiming; Zhang, Man; Li, Chuan","The unique synthesis and energetic properties of a novel fused heterocycle: 7-nitro-4-oxo-4,8-dihydro-[1,2,4]triazolo[5,1-d][1,2,3,5]tetrazine 2-oxide and its energetic salts","Journal of Materials Chemistry A","2015","3","7","3594","","10.1039/C4TA06139J","","","0.71073","MoKα","","0.0425","0.038","","","0.1032","0.1074","","","","","","1.001","","","","has coordinates","233363","2020-10-21","18:00:00",""
"7235848","29.209","0.011","23.399","0.009","15.388","0.006","90","","90","","90","","10517","7","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C78 H165 Co6 Mo24 N12 O152 P18 -","- C78 H165 Co6 Mo24 N12 O152 P18 -","- C156 H330 Co12 Mo48 N24 O304 P36 -","2","0.25","","Gong, Kaining; Wang, Weijie; Yan, Jinshuang; Han, Zhangang","Highly reduced molybdophosphate as a noble-metal-free catalyst for the reduction of chromium using formic acid as a reducing agent","Journal of Materials Chemistry A","2015","3","11","6019","","10.1039/C4TA06830K","","","0.71073","MoKα","","0.0394","0.0344","","","0.1073","0.1125","","","","","","1.055","","","","has coordinates","233380","2020-10-21","18:00:00",""
"7235933","9.9262","0.0013","17.2292","0.0009","9.7256","0.0008","90","","90","","90","","1663.3","0.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H18 N2 S2 Sn -","- C14 H18 N2 S2 Sn -","- C56 H72 N8 S8 Sn4 -","4","0.5","","Tyagi, Adish; Kedarnath, G.; Wadawale, Amey; Jain, Vimal K.; Kumar, Mukesh; Vishwanadh, B.","Diorganotin(iv) 2-pyridyl and 2-pyrimidyl thiolates: synthesis, structures and their utility as molecular precursors for the preparation of tin sulfide nanosheets","RSC Advances","2015","5","77","62882","","10.1039/C5RA09267A","","","1.54184","CuKα","","0.1017","0.0706","","","0.2017","0.2518","","","","","","1.091","","","","has coordinates","233766","2020-10-21","18:00:00",""
"7235937","18.8575","0.001","21.8147","0.0012","12.8837","0.0006","90","","90","","90","","5300","0.5","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C26 H29 N2 Nd O9 -","- C26 H29 N2 Nd O9 -","- C208 H232 N16 Nd8 O72 -","8","1","","Wang, Chih-Chieh; Yeh, Chang-Tsung; Ke, Szu-Yu; Cheng, Yi-Ting; Yang, Ching-Chun; Lee, Gene-Hsiang; Chang, Chung-Kai; Sheu, Hwo-Shuenn","Assembly of three Nd(iii) 2,6-naphthalenedicarboxylates (ndc2−) 3D coordination polymers based on various secondary building units (SBUs): structural diversity and gas sorption properties","RSC Advances","2015","5","112","92378","","10.1039/C5RA10799G","","","0.71073","MoKα","","0.0622","0.0492","","","0.1124","0.119","","","","","","1.05","","","","has coordinates,has disorder","233768","2020-10-21","18:00:00",""
"7235941","23.2226","0.0016","20.3406","0.0012","12.1702","0.0006","90","","90","","90","","5748.7","0.6","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C65 H85 N O8 -","- C65 H85 N O8 -","- C260 H340 N4 O32 -","4","0.5","","Al-Azemi, Talal F.; Vinodh, Mickey","Effect of the resorcin[4]arene host on the catalytic epoxidation of a Mn(iii)-based resorcin[4]arene‒metalloporphyrin conjugate","RSC Advances","2015","5","107","88154","","10.1039/C5RA13767E","","","0.71075","MoKα","","","0.0759","","","","0.2233","","","","","","0.967","","","","has coordinates","233771","2020-10-21","18:00:00",""
"7235942","23.2197","0.0016","20.5223","0.0004","12.0874","0.0003","90","","90","","90","","5759.9","0.4","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C68 H88 O8 -","- C68 H88 O8 -","- C272 H352 O32 -","4","0.5","","Al-Azemi, Talal F.; Vinodh, Mickey","Effect of the resorcin[4]arene host on the catalytic epoxidation of a Mn(iii)-based resorcin[4]arene‒metalloporphyrin conjugate","RSC Advances","2015","5","107","88154","","10.1039/C5RA13767E","","","0.71075","MoKα","","","0.0437","","","","0.1247","","","","","","1.089","","","","has coordinates","233771","2020-10-21","18:00:00",""
"7236047","32.8077","0.0005","35.0306","0.0005","5.7321","0.00015","90","","90","","90","","6587.8","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C66 H54 Eu2 O15 -","- C66 H60 Eu2 O16 -","- C264 H240 Eu8 O64 -","4","0.5","","Wang, Xiaoqing; Zhang, Liangliang; Yang, Jie; Liu, Fuling; Dai, Fangna; Wang, Rongming; Sun, Daofeng","Lanthanide metal‒organic frameworks containing a novel flexible ligand for luminescence sensing of small organic molecules and selective adsorption","Journal of Materials Chemistry A","2015","3","24","12777","","10.1039/C5TA00061K","","","1.54184","CuKα","","0.1724","0.1415","","","0.3691","0.3963","","","","","","1.093","","","","has coordinates","233870","2020-10-21","18:00:00",""
"7236048","32.8303","0.0007","34.9113","0.0008","5.8318","0.0002","90","","90","","90","","6684.1","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C66 H58 O15 Tm2 -","- C66 H60 O15 Tm2 -","- C264 H240 O60 Tm8 -","4","0.5","","Wang, Xiaoqing; Zhang, Liangliang; Yang, Jie; Liu, Fuling; Dai, Fangna; Wang, Rongming; Sun, Daofeng","Lanthanide metal‒organic frameworks containing a novel flexible ligand for luminescence sensing of small organic molecules and selective adsorption","Journal of Materials Chemistry A","2015","3","24","12777","","10.1039/C5TA00061K","","","0.71","MoKα","","0.1383","0.1147","","","0.3191","0.342","","","","","","1.14","","","","has coordinates","233870","2020-10-21","18:00:00",""
"7236049","32.7626","0.0014","34.95","0.002","5.7721","0.0004","90","","90","","90","","6609.4","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C33 H27 O7.58 Yb -","- C33 H27 O7.5 Yb -","- C264 H216 O60 Yb8 -","8","1","","Wang, Xiaoqing; Zhang, Liangliang; Yang, Jie; Liu, Fuling; Dai, Fangna; Wang, Rongming; Sun, Daofeng","Lanthanide metal‒organic frameworks containing a novel flexible ligand for luminescence sensing of small organic molecules and selective adsorption","Journal of Materials Chemistry A","2015","3","24","12777","","10.1039/C5TA00061K","","","1.54184","CuKα","","0.159","0.1248","","","0.3352","0.3658","","","","","","1.182","","","","has coordinates,has disorder","233870","2020-10-21","18:00:00",""
"7236059","20.305","0.005","10.022","0.003","17.22","0.005","90","","90","","90","","3504.2","1.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H6 In N0 O8 -","- C16 H6 In O8 -","- C64 H24 In4 O32 -","4","0.5","","Liu, Lin; Zhang, Xiao-Nan; Han, Zheng-Bo; Gao, Ming-Liang; Cao, Xiao-Man; Wang, Shi-Ming","An InIII-based anionic metal‒organic framework: sensitization of lanthanide (III) ions and selective absorption and separation of cationic dyes","Journal of Materials Chemistry A","2015","3","27","14157","","10.1039/C5TA00986C","","","0.71073","MoKα","","0.0934","0.0701","","","0.1785","0.1876","","","","","","0.976","","","","has coordinates","233887","2020-10-21","18:00:00",""
"7236186","17.5194","0.001","12.9278","0.0008","18.8945","0.0011","90","","90","","90","","4279.4","0.4","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C40 H48 Cl3 F6 Ir N P3 -","- C40 H46 Cl3 F6 Ir N P3 -","- C160 H184 Cl12 F24 Ir4 N4 P12 -","4","0.5","","Naicker, Dunesha; Friedrich, Holger B.; Pansuriya, Pramod B.","Iridium and rhodium “PNP” aminodiphosphine complexes used as catalysts in the oxidation of styrene","RSC Advances","2016","6","37","31005","","10.1039/C6RA01276K","","","0.71073","MoKα","","0.0649","0.0388","","","0.0881","0.0984","","","","","","1.031","","","","has coordinates,has disorder","235240","2020-10-21","18:00:00",""
"7236321","14.623","0.0005","18.453","0.0006","10.3923","0.0003","90","","90","","90","","2804.24","0.16","147","2","147","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cl-BsubNc","(Chloro)(subnaphthalocyaninato)boron","","- C36 H16.87 B Cl2.13 N6 -","- C36 H16.866 B Cl2.134 N6 -","- C144 H67.464 B4 Cl8.536 N24 -","4","0.5","","Dang, Jeremy D.; Josey, David S.; Lough, Alan J.; Li, Yiying; Sifate, Alaa; Lu, Zheng-Hong; Bender, Timothy P.","The mixed alloyed chemical composition of chloro-(chloro)n-boron subnaphthalocyanines dictates their physical properties and performance in organic photovoltaic devices","Journal of Materials Chemistry A","2016","4","24","9566","","10.1039/C6TA02457B","","","1.54178","CuKα","","0.06","0.0494","","","0.1263","0.1366","","","","","","1.042","","","","has coordinates,has disorder","235395","2020-10-21","18:00:00",""
"7236322","14.9062","0.0005","18.3548","0.0006","10.7766","0.0003","90","","90","","90","","2948.48","0.16","147","2","147","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cl-BsubNc","(Chloro)(subnaphthalocyaninato)boron","","- C36 H15.04 B Cl3.96 N6 -","- C36 H15.042 B Cl3.958 N6 -","- C144 H60.168 B4 Cl15.832 N24 -","4","0.5","","Dang, Jeremy D.; Josey, David S.; Lough, Alan J.; Li, Yiying; Sifate, Alaa; Lu, Zheng-Hong; Bender, Timothy P.","The mixed alloyed chemical composition of chloro-(chloro)n-boron subnaphthalocyanines dictates their physical properties and performance in organic photovoltaic devices","Journal of Materials Chemistry A","2016","4","24","9566","","10.1039/C6TA02457B","","","1.54178","CuKα","","0.0486","0.041","","","0.1005","0.1084","","","","","","1.095","","","","has coordinates,has disorder","235395","2020-10-21","18:00:00",""
"7236456","8.5023","0.0002","17.3319","0.0004","12.118","0.0003","90","","90","","90","","1785.72","0.07","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10.5 H4.5 Eu0.5 N0.5 O5 -","- C10.5 H4.5 Eu0.5 N0.5 O5 -","- C84 H36 Eu4 N4 O40 -","8","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Yu, Muxin; Wan, Xiuyan; Zhang, Bo; Hong, Maochun","A family of doped lanthanide metal‒organic frameworks for wide-range temperature sensing and tunable white light emission","Journal of Materials Chemistry C","2017","5","8","1981","","10.1039/C6TC05316E","","","1.54184","CuKα","","0.0418","0.036","","","0.1393","0.1488","","","","","","1.214","","","","has coordinates","235547","2020-10-21","18:00:00",""
"7236457","8.5011","0.0003","17.2958","0.0005","12.0726","0.0003","90","","90","","90","","1775.07","0.09","100","","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H9 Gd N O10 -","- C21 H9 Gd N O10 -","- C84 H36 Gd4 N4 O40 -","4","0.5","","Yang, Yan; Chen, Lian; Jiang, Feilong; Yu, Muxin; Wan, Xiuyan; Zhang, Bo; Hong, Maochun","A family of doped lanthanide metal‒organic frameworks for wide-range temperature sensing and tunable white light emission","Journal of Materials Chemistry C","2017","5","8","1981","","10.1039/C6TC05316E","","","1.54184","CuKα","","0.0623","0.0467","","","0.101","0.1064","","","","","","1.157","","","","has coordinates","235547","2020-10-21","18:00:00",""
"7236458","8.5052","0.0002","17.3256","0.0004","12.0864","0.0003","90","","90","","90","","1781.02","0.07","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10.5 H4.5 N0.5 O5 Tb0.5 -","- C10.5 H4.5 N0.5 O5 Tb0.5 -","- C84 H36 N4 O40 Tb4 -","8","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Yu, Muxin; Wan, Xiuyan; Zhang, Bo; Hong, Maochun","A family of doped lanthanide metal‒organic frameworks for wide-range temperature sensing and tunable white light emission","Journal of Materials Chemistry C","2017","5","8","1981","","10.1039/C6TC05316E","","","1.54184","CuKα","","0.0435","0.0382","","","0.0973","0.1014","","","","","","1.071","","","","has coordinates","235547","2020-10-21","18:00:00",""
"7236977","9.3971","0.0008","5.6764","0.0006","9.3171","0.0011","90","","90","","90","","496.99","0.09","460","2","460","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cd Cs O4 P -","- Cd Cs O4 P -","- Cd4 Cs4 O16 P4 -","4","0.5","","Shen, Yaoguo; Zhao, Sangen; Wang, Chenxi; Wang, Zujian; Feng, Jianghe; Hong, Maochun; Luo, Junhua","An optoelectronic duple bistable phosphate with ultrahigh thermal stability","Journal of Materials Chemistry C","2018","6","2","388","","10.1039/C7TC04644H","","","0.71073","MoKα","","0.0444","0.0388","","","0.1048","0.1106","","","","","","1.113","","","","has coordinates","236683","2020-10-21","18:00:00",""
"7236990","12.0861","0.0005","7.4271","0.0003","9.8187","0.0004","90","","90","","90","","881.37","0.06","299","0.6","299","0.6","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Br4 Cs Fe -","- Br4 Cs Fe -","- Br16 Cs4 Fe4 -","4","0.5","","Wei, Fengxia; Brivio, Federico; Wu, Yue; Sun, Shijing; Bristowe, Paul D.; Cheetham, Anthony K.","Synthesis, crystal structure, magnetic and electronic properties of the caesium-based transition metal halide Cs3Fe2Br9","Journal of Materials Chemistry C","2018","6","14","3573","","10.1039/C7TC04798C","","x-ray","0.71073","MoKα","","0.0933","0.0679","","","0.2006","0.2255","","","","","","1.08","","","","has coordinates","236695","2020-10-21","18:00:00",""
"7236992","14.6652","0.0003","10.4144","0.0002","7.511","0.0002","90","","90","","90","","1147.15","0.04","298.8","0.3","298.8","0.3","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Br5 Cs2 Fe H0.25 O -","- Br5 Cs2 Fe H2 O -","- Br20 Cs8 Fe4 H8 O4 -","4","0.5","","Wei, Fengxia; Brivio, Federico; Wu, Yue; Sun, Shijing; Bristowe, Paul D.; Cheetham, Anthony K.","Synthesis, crystal structure, magnetic and electronic properties of the caesium-based transition metal halide Cs3Fe2Br9","Journal of Materials Chemistry C","2018","6","14","3573","","10.1039/C7TC04798C","","x-ray","0.71073","MoKα","","0.0916","0.0816","","","0.2927","0.3075","","","","","","1.163","","","","has coordinates","236695","2020-10-21","18:00:00",""
"7237000","8.9113","0.0007","5.387","0.0005","11.2599","0.0008","90","","90","","90","","540.53","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3.31 Cu1.69 Eu In -","- Ag3.308 Cu1.692 Eu In -","- Ag13.232 Cu6.768 Eu4 In4 -","4","0.5","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.029","0.0212","","","0.0372","0.0391","","","","","","1.08","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237001","8.9764","0.0003","5.4247","0.0002","11.1792","0.0004","90","","90","","90","","544.36","0.03","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Au3.94 Cu1.06 Eu In -","- Au3.943 Cu1.057 Eu In -","- Au15.772 Cu4.228 Eu4 In4 -","4","0.5","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.0455","0.0329","","","0.0621","0.0656","","","","","","1.053","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237002","8.8585","0.0013","5.3061","0.0006","11.0668","0.0011","90","","90","","90","","520.18","0.11","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Au3.03 Cu1.97 Eu In -","- Au3.032 Cu1.968 Eu In -","- Au12.128 Cu7.872 Eu4 In4 -","4","0.5","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.0483","0.0313","","","0.0547","0.0594","","","","","","1","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237004","8.8995","0.0012","5.3795","0.0008","11.2661","0.0013","90","","90","","90","","539.36","0.12","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3.21 Cu1.79 Eu In -","- Ag3.211 Cu1.789 Eu In -","- Ag12.844 Cu7.156 Eu4 In4 -","4","0.5","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.048","0.0355","","","0.0861","0.0907","","","","","","1.029","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237005","8.8834","0.0018","5.3927","0.0011","11.243","0.002","90","","90","","90","","538.6","0.18","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3.09 Cu1.91 Eu In -","- Ag3.1 Cu1.9 Eu In -","- Ag12.4 Cu7.6 Eu4 In4 -","4","0.5","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.1047","0.0551","","","0.1026","0.1137","","","","","","0.983","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237008","9.0774","0.0017","5.6371","0.001","11.382","0.002","90","","90","","90","","582.42","0.18","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag4.15 Au0.85 Eu In -","- Ag4.147 Au0.853 Eu In -","- Ag16.588 Au3.412 Eu4 In4 -","4","0.5","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.0437","0.0345","","","0.063","0.0654","","","","","","1.262","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237009","8.832","0.003","5.3062","0.0019","11.059","0.004","90","","90","","90","","518.3","0.3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Au2.66 Cu2.34 Eu In -","- Au2.69 Cu2.31 Eu In -","- Au10.76 Cu9.24 Eu4 In4 -","4","0.5","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.0583","0.0423","","","0.0897","0.0965","","","","","","0.954","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237030","19.8371","0.0006","11.5899","0.0004","3.7081","0.0001","90","","90","","90","","852.53","0.05","120","","120","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H4 F2 O2 S -","- C10 H4 F2 O2 S -","- C40 H16 F8 O8 S4 -","4","0.5","","Krompiec, Michal P.; Baxter, Sean N.; Klimareva, Elena L.; Yufit, Dmitry S.; Congrave, Daniel G.; Britten, Thomas K.; Perepichka, Igor F.","3,4-Phenylenedioxythiophenes (PheDOTs) functionalized with electron-withdrawing groups and their analogs for organic electronics","Journal of Materials Chemistry C","2018","6","14","3743","","10.1039/C7TC05227H","","x-ray","0.71073","MoKα","","0.0524","0.037","","","0.0851","0.091","","","","","","1.06","","","","has coordinates","236725","2020-10-21","18:00:00",""
"7237208","13.2656","0.0015","21.421","0.003","10.3192","0.0012","90","","90","","90","","2932.3","0.6","173","","173","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H22 Cu5 I7 N4 -","- C12 H22 Cu5 I7 N4 -","- C48 H88 Cu20 I28 N16 -","4","0.5","","Wang, Kangcai; Chinnam, Ajay Kumar; Petrutik, Natan; Komarala, Eswaravara Prasadarao; Zhang, Qinghua; Yan, Qi-Long; Dobrovetsky, Roman; Gozin, Michael","Iodocuprate-containing ionic liquids as promoters for green propulsion","Journal of Materials Chemistry A","2018","6","45","22819","","10.1039/C8TA08042A","","","0.71073","MoKα","","0.0429","0.0347","","","0.0868","0.1016","","","","","","1.096","","","","has coordinates","237485","2020-10-21","18:00:00",""
"7237237","16.4361","0.0004","22.9617","0.0009","11.2234","0.0003","90","","90","","90","","4235.7","0.2","130","2","130","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H33 Bi2 I9 N4 -","- C23 H30 Bi2 I9 N4 -","- C92 H120 Bi8 I36 N16 -","4","0.5","","Usoltsev, Andrey N.; Elshobaki, Moneim; Adonin, Sergey A.; Frolova, Lyubov A.; Derzhavskaya, Tatiyana; Abramov, Pavel A.; Anokhin, Denis V.; Korolkov, Ilya V.; Luchkin, Sergey Yu.; Dremova, Nadezhda N.; Stevenson, Keith J.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.","Polymeric iodobismuthates {[Bi3I10]} and {[BiI4]} with N-heterocyclic cations: promising perovskite-like photoactive materials for electronic devices","Journal of Materials Chemistry A","2019","7","11","5957","","10.1039/C8TA09204D","","x-ray","0.71073","MoKα","","0.053","0.0376","","","0.0833","0.0902","","","","","","1.057","","","","has coordinates,has disorder","237508","2020-10-21","18:00:00",""
"7237239","15.5976","0.0008","23.0812","0.0013","11.0806","0.0005","90","","90","","90","","3989.1","0.4","130","2","130","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H24 Bi2 I9 N3 -","- C18 H24 Bi2 I9 N3 -","- C72 H96 Bi8 I36 N12 -","4","0.5","","Usoltsev, Andrey N.; Elshobaki, Moneim; Adonin, Sergey A.; Frolova, Lyubov A.; Derzhavskaya, Tatiyana; Abramov, Pavel A.; Anokhin, Denis V.; Korolkov, Ilya V.; Luchkin, Sergey Yu.; Dremova, Nadezhda N.; Stevenson, Keith J.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.","Polymeric iodobismuthates {[Bi3I10]} and {[BiI4]} with N-heterocyclic cations: promising perovskite-like photoactive materials for electronic devices","Journal of Materials Chemistry A","2019","7","11","5957","","10.1039/C8TA09204D","","x-ray","0.71073","MoKα","","0.0347","0.0291","","","0.0628","0.0643","","","","","","1.143","","","","has coordinates","237508","2020-10-21","18:00:00",""
"7237283","18.2587","0.0003","6.7913","0.0002","12.8788","0.0003","90","","90","","90","","1596.98","0.07","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H18 N4 O7 -","- C13 H18 N4 O7 -","- C52 H72 N16 O28 -","4","0.5","","Tao, Kewen; Wu, Zhenyue; Han, Shiguo; Zhang, Jing; Ji, Chengmin; Wang, Yuyin; Zhang, Weichuan; Luo, Junhua; Sun, Zhihua","Switchable behaviors of quadratic nonlinear optical properties originating from bi-step phase transitions in a molecule-based crystal","Journal of Materials Chemistry C","2018","6","15","4150","","10.1039/C8TC00407B","","","1.54178","CuKα","","0.0728","0.0621","","","0.1029","0.1076","","","","","","1.008","","","","has coordinates","237555","2020-10-21","18:00:00",""
"7237617","11.3643","0.0006","7.1999","0.0003","16.0342","0.0007","90","","90","","90","","1311.95","0.11","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H17 B F2 N2 -","- C14 H17 B F2 N2 -","- C56 H68 B4 F8 N8 -","4","0.5","","Duan, Chong; Zhou, Yibin; Shan, Guo-Gang; Chen, Yuncong; Zhao, Weijun; Yuan, Dandan; Zeng, Lintao; Huang, Xiaobo; Niu, Guangle","Bright solid-state red-emissive BODIPYs: facile synthesis and their high-contrast mechanochromic properties","Journal of Materials Chemistry C","2019","7","12","3471","","10.1039/C8TC06421K","","","0.71073","MoKα","","0.0528","0.0407","","","0.0999","0.1091","","","","","","1.041","","","","has coordinates,has disorder","237807","2020-10-21","18:00:00",""
"7237640","7.835","0.003","6.304","0.002","7.332","0.003","90","","90","","90","","362.1","0.2","150","","150","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- K N5 -","- K N5 -","- K4 N20 -","4","0.5","","Xu, Yuangang; Tian, Lili; Li, Dongxue; Wang, Pengcheng; Lu, Ming","A series of energetic cyclo-pentazolate salts: rapid synthesis, characterization, and promising performance","Journal of Materials Chemistry A","2019","7","20","12468","","10.1039/C9TA01077G","","","0.71073","MoKα","","0.026","0.0246","","","0.0668","0.0676","","","","","","1.089","","","","has coordinates","238465","2020-10-21","18:00:00",""
"7237743","8.1825","0.0001","27.5249","0.0002","12.8511","0.0001","90","","90","","90","","2894.36","0.05","173","2","173.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C32 H20 N4 S2 -","- C32 H20 N4 S2 -","- C128 H80 N16 S8 -","4","0.5","","Chen, Cheng; Lu, Hai-Yan; Wang, Yin-Feng; Li, Meng; Shen, Yi-Fan; Chen, Chuan-Feng","Naphthyridine-based thermally activated delayed fluorescence emitters for multi-color organic light-emitting diodes with low efficiency roll-off","Journal of Materials Chemistry C","2019","7","16","4673","","10.1039/C9TC00503J","","","1.54178","CuKα","","0.0422","0.0418","","","0.1086","0.1089","","","","","","1.112","","","","has coordinates","238575","2020-10-21","18:00:00",""
"7237871","7.9","0.0008","20.937","0.002","5.8824","0.0006","90","","90","","90","","972.96","0.17","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","phenothiazine","","","- C12 H9 N S -","- C12 H9 N S -","- C48 H36 N4 S4 -","4","0.5","","de Sa Pereira, Daniel; Lee, Dong Ryun; Kukhta, Nadzeya A.; Lee, Kyung Hyung; Kim, Cho Long; Batsanov, Andrei S.; Lee, Jun Yeob; Monkman, Andrew P.","The effect of a heavy atom on the radiative pathways of an emitter with dual conformation, thermally-activated delayed fluorescence and room temperature phosphorescence","Journal of Materials Chemistry C","2019","7","34","10481","","10.1039/C9TC02477H","","x-ray","0.71073","MoKα","","0.0692","0.0442","","","0.1117","0.1258","","","","","","1.066","","","","has coordinates","238681","2020-10-21","18:00:00",""
"7237874","7.8739","0.0008","20.921","0.002","5.8718","0.0006","90","","90","","90","","967.26","0.17","250","2","250","","","","","","","","","4","P n m a","-P 2ac 2n","62","phenothiazine","","","- C12 H9 N S -","- C12 H9 N S -","- C48 H36 N4 S4 -","4","0.5","","de Sa Pereira, Daniel; Lee, Dong Ryun; Kukhta, Nadzeya A.; Lee, Kyung Hyung; Kim, Cho Long; Batsanov, Andrei S.; Lee, Jun Yeob; Monkman, Andrew P.","The effect of a heavy atom on the radiative pathways of an emitter with dual conformation, thermally-activated delayed fluorescence and room temperature phosphorescence","Journal of Materials Chemistry C","2019","7","34","10481","","10.1039/C9TC02477H","","x-ray","0.71073","MoKα","","0.0628","0.0442","","","0.1054","0.1146","","","","","","1.076","","","","has coordinates","238681","2020-10-21","18:00:00",""
"7238748","7.30775","0.0001","23.3444","0.0003","18.8151","0.0003","90","","90","","90","","3209.76","0.08","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H26 Cd O16 Zn2 -","- C27 H26 Cd O16 Zn2 -","- C108 H104 Cd4 O64 Zn8 -","4","0.5","","Bo, Qi-Bing; Wang, Hong-Yan; Miao, Jin-Ling; Wang, Da-Qi","Fluorescent Zn-based hetero-MOFs design via single metal site substitution","RSC Advances","2012","2","31","11650","","10.1039/c2ra21863a","","","0.71073","MoKα","","0.0311","0.027","","","0.079","0.0802","","","","","","1.098","","","","has coordinates,has disorder","244329","2020-10-21","18:00:00",""
"7238749","7.35853","0.00019","23.5965","0.0005","18.7029","0.0004","90","","90","","90","","3247.49","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H26 Ca O16 Zn2 -","- C27 H26 Ca O16 Zn2 -","- C108 H104 Ca4 O64 Zn8 -","4","0.5","","Bo, Qi-Bing; Wang, Hong-Yan; Miao, Jin-Ling; Wang, Da-Qi","Fluorescent Zn-based hetero-MOFs design via single metal site substitution","RSC Advances","2012","2","31","11650","","10.1039/c2ra21863a","","","0.71073","MoKα","","0.0433","0.0393","","","0.1233","0.1263","","","","","","1.092","","","","has coordinates,has disorder","244329","2020-10-21","18:00:00",""
"7238772","16.0226","0.001","21.7926","0.0011","8.8475","0.0006","90","","90","","90","","3089.3","0.3","393","2","393","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H31 Co Fe O P2 S2 -","- C34 H31 Co Fe O P2 S2 -","- C136 H124 Co4 Fe4 O4 P8 S8 -","4","0.5","","Gao, Hui; Huang, Jing; Chen, Limin; Liu, Ruliang; Chen, Jinzhu","Synthesis, characterization and computational study of heterobimetallic CoFe complexes for mimicking hydrogenase","RSC Advances","2013","3","11","3557","","10.1039/c2ra22388k","","","0.71073","MoKα","","0.0471","0.0352","","","0.0862","0.0904","","","","","","0.98","","","","has coordinates","244341","2020-10-21","18:00:00",""
"7238850","16.6263","0.0003","12.7971","0.0003","14.4678","0.0003","90","","90","","90","","3078.29","0.11","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C17 H28 B2 Cu2 F8 N4 O12 -","- C17 H24 B2 Cu2 F7.992 N4 O12 -","- C68 H96 B8 Cu8 F31.968 N16 O48 -","4","0.5","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.0639","0.0578","","","0.1562","0.1597","","","","","","1.163","","","","has coordinates,has disorder","244402","2020-10-21","18:00:00",""
"7238851","15.6203","0.0016","11.564","0.002","14.8705","0.0014","90","","90","","90","","2686.1","0.6","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H14 B2 Cu2 F8 N4 O8 -","- C14 H14 B2 Cu2 F8 N4 O8 -","- C56 H56 B8 Cu8 F32 N16 O32 -","4","0.5","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.1507","0.0784","","","0.2015","0.2428","","","","","","0.97","","","","has coordinates,has disorder","244402","2020-10-21","18:00:00",""
"7238893","16.0317","0.0017","22.181","0.002","10.2433","0.0013","90","","90","","90","","3642.5","0.7","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C37 H35 Cl2 N9 O5 -","- C37 H35 Cl2 N9 O5 -","- C148 H140 Cl8 N36 O20 -","4","0.5","","Das, Subrata; Thakur, Ashim Jyoti; Medhi, Tapas; Das, Babulal","An efficient stereo-controlled synthesis of bis-pyrimido-[4,5-d]-pyrimidine derivatives via aza-Diels‒Alder methodology and their preliminary bioactivity","RSC Advances","2013","3","10","3407","","10.1039/c3ra22089c","","","0.71073","MoKα","","0.11","0.0844","","","0.2139","0.2467","","","","","","1.062","","","","has coordinates","244450","2020-10-21","18:00:00",""
"7238929","18.729","0.003","14.865","0.003","7.6628","0.0013","90","","90","","90","","2133.4","0.7","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C11 H22 Cl7 Mo N2 O3 -","- C11 H22 Cl7 Mo N2 O3 -","- C44 H88 Cl28 Mo4 N8 O12 -","4","0.5","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Lactam/MoCl5 interaction in CH2Cl2: synthesis and X-ray characterization of protonated δ-valerolactam salts","RSC Advances","2013","3","25","10007","","10.1039/c3ra23305g","","","0.71073","MoKα","","0.0255","0.0225","","","0.0534","0.055","","","","","","1.065","","","","has coordinates","244468","2020-10-21","18:00:00",""
"7239137","8.1484","0.0011","18.284","0.002","15.475","0.002","90","","90","","90","","2305.5","0.5","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H29 Br2 N7 Pd -","- C17 H29 Br2 N7 Pd -","- C68 H116 Br8 N28 Pd4 -","4","0.5","","Chen, Qian; Lv, Lanlan; Yu, Meng; Shi, Yanhui; Li, Yuling; Pang, Guangsheng; Cao, Changsheng","Simple, efficient and reusable Pd‒NHC catalysts for hydroamination","RSC Advances","2013","3","40","18359","","10.1039/c3ra42990c","","","0.71073","MoKα","","0.0497","0.0421","","","0.1361","0.1536","","","","","","1.025","","","","has coordinates,has disorder","244569","2020-10-21","18:00:00",""
"7239217","11.3573","0.0002","12.6287","0.0003","10.6515","0.0002","90","","90","","90","","1527.72","0.05","180","","180","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H17 N4 P -","- C16 H17 N4 P -","- C64 H68 N16 P4 -","4","0.5","","Maaliki, Carine; Canac, Yves; Lepetit, Christine; Duhayon, Carine; Chauvin, Remi","P-oxidation of gem-dicationic phosphines","RSC Advances","2013","3","43","20391","","10.1039/c3ra43563f","","","0.71073","MoKα","","0.0354","0.0325","","0.0436","0.0422","0.042","","","","","","0.9987","","","","has coordinates","244602","2020-10-21","18:00:00",""
"7239452","24.7714","0.0011","17.0229","0.0007","7.5234","0.0003","90","","90","","90","","3172.5","0.2","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H15 Au Cl P -","- C18 H15 Au Cl P -","- C144 H120 Au8 Cl8 P8 -","8","1","","Moussa, J.; Chamoreau, L. M.; Amouri, H.","Gold(i) complexes with a phosphinine ligand: synthesis and structural characterization","RSC Advances","2014","4","23","11539","","10.1039/c3ra47132b","","","0.71073","MoKα","","0.0191","0.0141","","","0.0297","0.0317","","","","","","0.906","","","","has coordinates","244717","2020-10-21","18:00:00",""
"7239462","8.1226","0.0008","6.7318","0.0007","13.5987","0.0011","90","","90","","90","","743.57","0.12","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 Br Cl N2 S2 -","- C4 Br Cl N2 S2 -","- C16 Br4 Cl4 N8 S8 -","4","0.5","","Kalogirou, Andreas S.; Christoforou, Irene C.; Ioannidou, Heraklidia A.; Manos, Manolis J.; Koutentis, Panayiotis A.","Ring transformation of (4-chloro-5H-1,2,3-dithiazol-5-ylidene)acetonitriles to 3-haloisothiazole-5-carbonitriles","RSC Adv.","2014","4","15","7735","","10.1039/C3RA47261B","","","0.71073","MoKα","","0.0339","0.0274","","","0.0703","0.0715","","","","","","0.95","","","","has coordinates","244721","2020-10-21","18:00:00",""
"7239521","8.8362","0.0011","12.5804","0.0015","8.5551","0.001","90","","90","","90","","951","0.2","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C H0 I3 N Pb -","- C I3 N Pb -","- C4 I12 N4 Pb4 -","4","0.5","","Baikie, Tom; Fang, Yanan; Kadro, Jeannette M.; Schreyer, Martin; Wei, Fengxia; Mhaisalkar, Subodh G.; Graetzel, Michael; White, Tim J.","Synthesis and crystal chemistry of the hybrid perovskite (CH3NH3)PbI3 for solid-state sensitised solar cell applications","Journal of Materials Chemistry A","2013","1","18","5628","","10.1039/c3ta10518k","","x-ray","0.71069","","","0.0657","0.0523","","0.1322","0.1299","","","","2.22","2.48","2.48","","","","","has coordinates","244743","2020-10-21","18:00:00",""
"7239794","14.9792","0.0009","9.7677","0.0006","7.2734","0.0005","90","","90","","90","","1064.19","0.12","294","1","294","1","","","","","","","","3","P n m a","-P 2ac 2n","62","1,3-dibromoAdamantane","","","- C10 H14 Br2 -","- C10 H14 Br2 -","- C40 H56 Br8 -","4","0.5","","Négrier, Philippe; Ben Hassine, Bacem; Barrio, Maria; Romanini, Michela; MONDIEIG, DENISE; Tamarit, Josep Lluis","Polymorphism of 1,3-X-adamantanes (X=Br, OH, CH3) and the crystal plastic phase formation ability","CrystEngComm","2020","","","","","10.1039/C9CE01910C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","247069","2020-10-21","18:00:00",""
"7239851","18.42","0.004","10.567","0.002","8.8377","0.0018","90","","90","","90","","1720.2","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H12 Co N10 Na O -","- C12 H12 Co N10 Na O -","- C48 H48 Co4 N40 Na4 O4 -","4","0.5","","Shi, Chao; Gong, Zhi-Xin; Wang, Qin-Wen; Han, Xiang-Bin; Zhang, Wen","Role of the B′-site metal ion in the framework structures and dielectric transitions in host‒guest type cyanometalates (HIm)2[B′Co(CN)6] (HIm = imidazolium cation)","CrystEngComm","2020","22","10","1848","1852","10.1039/C9CE01739A","","","0.71073","MoKα","","0.0334","0.0288","","","0.0675","0.0694","","","","","","1.131","","","","has coordinates","257432","2020-10-21","18:00:00",""
"7240162","11.29376","0.00013","7.62235","0.00009","6.81817","0.00008","90","","90","","90","","586.942","0.012","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","Ammine_Magnesium_Borohydride","","","- B2 H11 Mg N -","- B2 H11 Mg N -","- B8 H44 Mg4 N4 -","4","0.5","","Yan, Yigang; Dononelli, Wilke; Jørgensen, Mathias; Grinderslev, Jakob B.; Lee, Young-Su; Cho, Young Whan; Černý, Radovan; Hammer, Bjørk; Jensen, Torben R.","The mechanism of Mg<sup>2+</sup> conduction in ammine magnesium borohydride promoted by a neutral molecule.","Physical chemistry chemical physics : PCCP","2020","22","17","9204","9209","10.1039/d0cp00158a","powder diffraction","","","Synchrotron","","","","","","","","","5.4605","12.5","","","","","","","has coordinates","253994","2020-10-21","18:00:00",""
"7240229","14.242","0.0009","10.3185","0.0007","16.3776","0.0009","90","","90","","90","","2406.8","0.3","178","","178","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C28 H35 N P2 -","- C28 H20 N P2 -","- C112 H80 N4 P8 -","4","0.5","","Liang, Wenbin; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Synthesis of 1,2,4-azadiphosphole derivatives based on vanadium-catalyzed [2+2+1] cycloaddition reactions of azobenzenes with phosphaalkynes","RSC Advances","2020","10","22","12730","12733","10.1039/D0RA02503H","","","0.71075","MoKα","","0.1625","0.1398","","","0.2387","0.2519","","","","","","1","","","","has coordinates","257972","2020-10-21","18:00:00",""
"7240557","9.3938","0.0006","13.3012","0.0008","8.5716","0.0006","90","","90","","90","","1071.01","0.12","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C1.17 H12.84 Mn N2 O6 P2.83 -","- C1.17 H12.84 Mn N2 O6 P2.83 -","- C4.68 H51.36 Mn4 N8 O24 P11.32 -","4","0.5","","Mączka, Mirosław; Gągor, Anna; Pikul, Adam; Stefańska, Dagmara","Novel hypophosphite hybrid perovskites of [CH3NH2NH2][Mn(H2POO)3] and [CH3NH2NH2][Mn(H2POO)2.83(HCOO)0.17] exhibiting antiferromagnetic order and red photoluminescence","RSC Advances","2020","10","32","19020","19026","10.1039/D0RA03397A","","x-ray","0.71073","MoKα","","0.0497","0.0369","","","0.097","0.1063","","","","","","1.095","","","","has coordinates","257997","2020-10-21","18:00:00",""
"7240558","9.2009","0.0006","13.2604","0.0008","8.5408","0.0006","90","","90","","90","","1042.04","0.12","100","0.2","100","0.2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C H13 Mn N2 O6 P3 -","- C H13 Mn N2 O6 P3 -","- C4 H52 Mn4 N8 O24 P12 -","4","0.5","","Mączka, Mirosław; Gągor, Anna; Pikul, Adam; Stefańska, Dagmara","Novel hypophosphite hybrid perovskites of [CH3NH2NH2][Mn(H2POO)3] and [CH3NH2NH2][Mn(H2POO)2.83(HCOO)0.17] exhibiting antiferromagnetic order and red photoluminescence","RSC Advances","2020","10","32","19020","19026","10.1039/D0RA03397A","","x-ray","0.71073","MoKα","","0.029","0.0284","","","0.0825","0.0829","","","","","","1.183","","","","has coordinates","257997","2020-10-21","18:00:00",""
"7240559","9.4005","0.0006","13.299","0.0008","8.6191","0.0006","90","","90","","90","","1077.54","0.12","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C H13 Mn N2 O6 P3 -","- C H13 Mn N2 O6 P3 -","- C4 H52 Mn4 N8 O24 P12 -","4","0.5","","Mączka, Mirosław; Gągor, Anna; Pikul, Adam; Stefańska, Dagmara","Novel hypophosphite hybrid perovskites of [CH3NH2NH2][Mn(H2POO)3] and [CH3NH2NH2][Mn(H2POO)2.83(HCOO)0.17] exhibiting antiferromagnetic order and red photoluminescence","RSC Advances","2020","10","32","19020","19026","10.1039/D0RA03397A","","x-ray","0.71073","MoKα","","0.0432","0.0343","","","0.0929","0.1002","","","","","","1.054","","","","has coordinates","257997","2020-10-21","18:00:00",""
"7240620","23.547","0.0007","12.0475","0.0003","8.0311","0.0002","90","","90","","90","","2278.28","0.1","90","2","90","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H11 Br N2 -","- C12 H11 Br N2 -","- C96 H88 Br8 N16 -","8","1","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0583","0.0355","","","0.0698","0.0737","","","","","","1.006","","","","has coordinates,has disorder","252629","2020-10-21","18:00:00",""
"7240665","11.465","0.007","12.605","0.007","12.944","0.008","90","","90","","90","","1870.6","1.9","296","3","296","3","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- K2 O21 S3 U2 -","- K2 O21 S3 U2 -","- K8 O84 S12 U8 -","4","0.5","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","","0.71073","MoKα","","0.0452","0.0291","","","0.056","0.0619","","","","","","1.064","","","","has coordinates,has disorder","253022","2020-10-21","18:00:00",""
"7240810","13.1069","0.0009","6.8506","0.0006","13.7875","0.0012","90","","90","","90","","1237.98","0.17","123","","123","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H7 F8 N -","- C13 H7 F8 N -","- C52 H28 F32 N4 -","4","0.5","","Cui, Luxia; Ono, Toshikazu; Hossain, Md. Jakir; Hisaeda, Yoshio","Electrochemically driven, cobalt‒carbon bond-mediated direct intramolecular cyclic and acyclic perfluoroalkylation of (hetero)arenes using X(CF2)4X","RSC Advances","2020","10","42","24862","24866","10.1039/D0RA05295G","","x-ray","0.71073","MoKα","","0.0426","0.0313","","","0.084","0.0924","","","","","","1.054","","","","has coordinates,has disorder","258027","2020-10-21","18:00:00",""
"7240967","7.3261","0.0015","22.72","0.005","9.936","0.002","90","","90","","90","","1653.8","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13 H13 N O5 S2 Sr -","- C13 H13 N O5 S2 Sr -","- C52 H52 N4 O20 S8 Sr4 -","4","0.5","","Yao, Jun; Liu, Yan-E; Yang, Li-Bo; Dou, Ai-Na; Hou, Cheng-Fu; Xu, Quan-Qing; Huang, Bo; Zhu, Ai-Xin","Novel alkaline earth metal-organic frameworks with thiophene group for selective detection of Fe3+","CrystEngComm","2020","","","","","10.1039/D0CE00990C","","","0.71073","MoKα","","0.0742","0.066","","","0.1625","0.1679","","","","","","1.243","","","","has coordinates,has disorder","254717","2020-10-21","18:00:00",""
"7241020","6.6912","0.0009","20.226","0.003","10.1274","0.0013","90","","90","","90","","1370.6","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H8 N2 O S4 -","- C13 H8 N2 O S4 -","- C52 H32 N8 O4 S16 -","4","0.5","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.0495","0.0363","","","0.0918","0.099","","","","","","1.043","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241101","16.8076","0.0015","6.312","0.0006","13.8556","0.0013","90","","90","","90","","1469.9","0.2","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H18 N4 O8 -","- C12 H18 N4 O8 -","- C48 H72 N16 O32 -","4","0.5","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","0.71073","MoKα","","0.0632","0.0403","","","0.0916","0.1057","","","","","","1.03","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241114","21.961","0.005","11.928","0.003","8.903","0.002","90","","90","","90","","2332.1","0.9","296","2","296.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H10 Cs4 N6 O4 S6 -","- C6 H10 Cs4 N6 O4 S6 -","- C24 H40 Cs16 N24 O16 S24 -","4","0.5","","Zhao, Jianmin; Liu, Hongkun; Zhang, Xiaodong; Zhang, Bingbing; Wang, Ying","Facile synthesis of a cesium trithiocyanurate with high ionic conductivity and large birefringence properties","CrystEngComm","2020","","","","","10.1039/D0CE01116A","","","0.71073","MoKα","","0.0617","0.0356","","","0.0671","0.0757","","","","","","1.033","","","","has coordinates","255643","2020-10-21","18:00:00",""
"7241134","27.529","0.0009","10.302","0.0003","7.0168","0.0002","90","","90","","90","","1989.99","0.1","105","2","105","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C12 H17 Cl2 F3 Fe N5 O5 S -","- C12 H17 Cl2 F3 Fe N5 O5 S -","- C48 H68 Cl8 F12 Fe4 N20 O20 S4 -","4","0.5","","Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.","Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties","RSC Advances","2020","10","52","31165","31170","10.1039/D0RA05756H","","","0.71073","MoKα","","0.0381","0.0379","","","0.0937","0.0938","","","","","","1.213","","","","has coordinates","258042","2020-10-21","18:00:00",""
"7241409","12.863","0.004","7.173","0.002","16.464","0.005","90","","90","","90","","1519.1","0.8","296.15","","296.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","0.5","","Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing","Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines","Green Chemistry","2020","22","22","7832","7838","10.1039/D0GC03009K","","","0.71073","MoKα","","0.0994","0.0472","","","0.1207","0.1486","","","","","","1.024","","","","has coordinates,has disorder","259604","2020-12-06","14:25:42",""
"7241453","16.9329","0.0001","16.7397","0.0001","24.8806","0.0002","90","","90","","90","","7052.45","0.08","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3.61 H1.55 O2.06 S0.26 Zn0.39 -","- C3.6129 H1.41935 O2.06452 S0.258065 Zn0.387097 -","- C112 H44 O64 S8 Zn12 -","31","3.875","","Tu, Qian-Qian; Ren, Ling-Ling; Cheng, Ai-Ling; Gao, En-Qing","Fabrication of a dual-emitting RhB@Zn-1 composite as a recyclable luminescent sensor for sensitive detection of nitrofuran antibiotics","CrystEngComm","2021","23","3","629","637","10.1039/D0CE01483D","","","1.54184","CuKα","","0.0372","0.0347","","","0.0958","0.0974","","","","","","1.067","","","","has coordinates","261631","2021-02-04","23:04:54",""
"7241565","21.6106","0.0013","7.3407","0.0005","11.3729","0.0007","90","","90","","90","","1804.2","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(1,3,5-triiodo-2,4,6-trifluorobenzene) (tetramethylammonium iodide) cocrystal","","","- C10 H12 F3 I4 N -","- C10 H13 F3 I4 N -","- C40 H52 F12 I16 N4 -","4","0.5","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0211","0.0196","","","0.0467","0.0471","","","","","","1.281","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241648","7.2328","0.0014","19.384","0.004","25.55","0.005","90","","90","","90","","3582.1","1.2","133.15","","133.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C45 H24 Cl N2 O3 Re -","- C45 H24 Cl N2 O3 Re -","- C180 H96 Cl4 N8 O12 Re4 -","4","0.5","","Qiu, Li-Qi; Chen, Kai-Hong; Yang, Zhi-Wen; He, Liang-Nian","A rhenium catalyst with bifunctional pyrene groups boosts natural light-driven CO2 reduction","Green Chemistry","2020","22","24","8614","8622","10.1039/D0GC03111A","","","0.71073","MoKα","","0.0573","0.0529","","","0.1233","0.1251","","","","","","1.244","","","","has coordinates","260797","2021-01-07","06:41:30",""
"7241745","13.1254","0.0006","13.6595","0.0006","8.5225","0.0004","90","","90","","90","","1527.97","0.12","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H12 Cd N2 O2 S4 -","- C8 H12 Cd N2 O2 S4 -","- C32 H48 Cd4 N8 O8 S16 -","4","0.5","","Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio","On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems","CrystEngComm","2020","22","46","8023","8035","10.1039/D0CE01233E","","","1.54178","CuKα","","0.0331","0.0326","","","0.0757","0.0759","","","","","","1.244","","","","has coordinates,has disorder","259734","2020-12-10","03:37:59",""
"7241808","12.159","0.002","31.183","0.006","12.689","0.003","90","","90","","90","","4811.1","1.7","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C46 H44 Cu2 N2 O10 -","- C46 H40 Cu2 N2 O10 -","- C184 H160 Cu8 N8 O40 -","4","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.2624","0.1657","","","0.4227","0.4812","","","","","","1.309","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241921","8.152","0.0016","8.747","0.0018","15.148","0.003","90","","90","","90","","1080.1","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 H8 I3 N Pb -","- C2 H8 I3 N Pb -","- C8 H32 I12 N4 Pb4 -","4","0.5","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.71073","synchrotron","","0.0639","0.0617","","","0.2007","0.2039","","","","","","1.138","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241923","18.41","0.009","30.209","0.014","12.589","0.006","90","","90","","90","","7001","6","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C62 H48 Cu N4 O11 S2 -","- C62 H47 Cu N4 O11 S2 -","- C248 H188 Cu4 N16 O44 S8 -","4","0.5","","Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.","Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies","CrystEngComm","2021","23","3","684","693","10.1039/D0CE01275K","","","0.71073","MoKα","","0.0822","0.0538","","","0.1503","0.1702","","","","","","1.03","","","","has coordinates","261635","2021-02-04","23:05:31",""
"7241970","21.384","","8.2026","","9.6041","","90","","90","","90","","1684.6","","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H18 N6 O7 S2 -","- C8 H12 N6 O7 S2 -","- C32 H48 N24 O28 S8 -","4","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.1168","0.0951","","","0.2893","0.3067","","","","","","1.094","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241997","10.4292","0.0002","15.3858","0.0003","26.9006","0.0004","90","","90","","90","","4316.51","0.13","133.15","","133.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C13 H38 Mg2 N2 O21 Pt S4 -","- C13 H38 Mg2 N2 O21 Pt S4 -","- C52 H152 Mg8 N8 O84 Pt4 S16 -","4","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0313","0.0272","","","0.0656","0.0673","","","","","","1.15","","","","has coordinates,has disorder","260336","2021-01-01","04:05:15",""
"7242060","13.1016","0.0014","9.0403","0.0012","16.1804","0.0019","90","","90","","90","","1916.4","0.4","348","2","348","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H24 Cl4 Mn N2 -","- C10 H24 Cl4 Mn N2 -","- C40 H96 Cl16 Mn4 N8 -","4","0.5","","Li, Yanyan; Lin, Liting; Yang, Jie; Qian, Kun; Jiang, Tao; Li, Hong","Red/green-light emission in continuous dielectric phase transition materials: [Me3NVinyl]2[MnX4] (X = Cl, Br)","RSC Advances","2021","11","4","2329","2336","10.1039/D0RA08795E","","","0.71073","MoKα","","0.1622","0.0915","","","0.2407","0.2765","","","","","","1.086","","","","has coordinates,has disorder","260910","2021-01-13","05:12:44",""
"7242062","13.1299","0.0009","8.8855","0.001","16.1959","0.0014","90","","90","","90","","1889.5","0.3","303","2","303","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H24 Cl4 Mn N2 -","- C10 H24 Cl4.002 Mn N2 -","- C40 H96 Cl16.008 Mn4 N8 -","4","0.5","","Li, Yanyan; Lin, Liting; Yang, Jie; Qian, Kun; Jiang, Tao; Li, Hong","Red/green-light emission in continuous dielectric phase transition materials: [Me3NVinyl]2[MnX4] (X = Cl, Br)","RSC Advances","2021","11","4","2329","2336","10.1039/D0RA08795E","","","0.71073","MoKα","","0.1323","0.0913","","","0.2426","0.2602","","","","","","1.148","","","","has coordinates,has disorder","260910","2021-01-13","05:12:44",""
"7242063","13.45","0.0003","9.1134","0.0002","16.4176","0.0005","90","","90","","90","","2012.39","0.09","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H24 Br4 Mn N2 -","- C10 H23 Br4 Mn N2 -","- C40 H92 Br16 Mn4 N8 -","4","0.5","","Li, Yanyan; Lin, Liting; Yang, Jie; Qian, Kun; Jiang, Tao; Li, Hong","Red/green-light emission in continuous dielectric phase transition materials: [Me3NVinyl]2[MnX4] (X = Cl, Br)","RSC Advances","2021","11","4","2329","2336","10.1039/D0RA08795E","","","1.54178","CuKα","","0.1417","0.1182","","","0.2712","0.2835","","","","","","1.051","","","","has coordinates,has disorder","260910","2021-01-13","05:12:44",""
"7242225","9.6049","0.0001","7.6367","0.0001","9.6337","0.0001","90","","90","","90","","706.629","0.014","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H9 Cl I N O -","- C3 H9 Cl I N O -","- C12 H36 Cl4 I4 N4 O4 -","4","0.5","","Zarechnaya, Olga M.; Anisimov, Aleksei A.; Belov, Eugenii Yu; Burakov, Nikolai I.; Kanibolotsky, Alexander L.; Mikhailov, Vasilii A.","Polycentric binding in complexes of trimethylamine-N-oxide with dihalogens","RSC Advances","2021","11","11","6131","6145","10.1039/D0RA08165E","","","0.71073","MoKα","","0.014","0.014","","","0.0343","0.0343","","","","","","1.281","","","","has coordinates","261512","2021-02-04","21:23:48",""
"7242285","15.1687","0.0003","17.1375","0.0003","12.0964","0.0002","90","","90","","90","","3144.5","0.1","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H42 Br N4 O2 Re -","- C24 H30 Br N4 O2 Re -","- C96 H120 Br4 N16 O8 Re4 -","4","0.5","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","1.54186","CuKα","","0.0237","0.0234","","","0.0614","0.0615","","","","","","1.116","","","","has coordinates,has disorder","262019","2021-02-17","05:19:59",""
"7242287","12.4068","0.0008","13.9121","0.0006","16.1781","0.0007","90","","90","","90","","2792.4","0.2","250","2","250","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C21 H25 Br Cl4 N2 O2 Re -","- C21 H25 Br Cl4 N2 O2 Re -","- C84 H100 Br4 Cl16 N8 O8 Re4 -","4","0.5","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","0.71073","MoKα","","0.1118","0.0778","","","0.2133","0.2417","","","","","","1.033","","","","has coordinates,has disorder","262019","2021-02-17","05:19:59",""
"7242288","14.2929","0.0003","17.3769","0.0003","10.1717","0.0002","90","","90","","90","","2526.31","0.08","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H30 Br N4 O2 Re -","- C24 H30 Br N4 O2 Re -","- C96 H120 Br4 N16 O8 Re4 -","4","0.5","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","1.54186","CuKα","","0.0234","0.0227","","","0.0566","0.0574","","","","","","1.116","","","","has coordinates,has disorder","262019","2021-02-17","05:19:59",""
"7242579","7.4264","0.0004","26.8268","0.0016","5.6645","0.0003","90","","90","","90","","1128.52","0.11","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H9 F N4 O -","- C13 H9 F N4 O -","- C52 H36 F4 N16 O4 -","4","0.5","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","1.54178","CuKα","","0.0351","0.0325","","","0.0771","0.0799","","","","","","1.109","","","","has coordinates,has disorder","265942","2021-06-05","18:07:35",""
"7242722","9.4972","0.0018","14.745","0.003","13.181","0.002","90","","90","","90","","1845.8","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H8 Br4 N2 O4 -","- C16 H8 Br4 N2 O4 -","- C64 H32 Br16 N8 O16 -","4","0.5","","Singha, Soumen; Jana, Rajkumar; Mondal, Rituparna; Ray, Partha Pratim; Bag, Partha Pratim; Gupta, Kajal; Pakhira, Nandan; Rizzoli, Corrado; Mallick, Arabinda; Kumar, Sanjay; Saha, Rajat","Photo-responsive Schottky diode behavior of a donor‒acceptor co-crystal with violet blue light emission","CrystEngComm","2021","23","19","3510","3523","10.1039/D1CE00020A","","","0.71073","MoKα","","0.053","0.0278","","","0.054","0.0624","","","","","","1.017","","","","has coordinates","265949","2021-06-05","18:09:09",""
"7242727","15.113","0.009","7.205","0.004","8.356","0.004","90","","90","","90","","909.9","0.9","250","0.1","250","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","0.5","","Szklarz, Przemysław; Kinzhybalo, Vasyl; Bator, Grażyna","Ferroelectricity and switching polarization on the C‒H⋯π bond in a pure organic molecular crystal ‒ 1,3,5-trimethylnitrobenzene","CrystEngComm","2021","23","22","4005","4012","10.1039/D1CE00381J","","x-ray","0.71073","MoKα","","0.0832","0.0513","","","0.1384","0.1647","","","","","","1.057","","","","has coordinates","267112","2021-07-05","17:08:10",""
"7243166","7.9376","0.0003","11.4925","0.0004","11.3612","0.0004","90","","90","","90","","1036.4","0.06","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Cl2 Cu O2 S2 -","- C4 H12 Cl2 Cu O2 S2 -","- C16 H48 Cl8 Cu4 O8 S8 -","4","0.5","","Bernabé Vírseda, Ignacio; Siddiqui, Shiraz Ahmed; Prado-Roller, Alexander; Eisterer, Michael; Shiozawa, Hidetsugu","Crystal engineering with copper and melamine","RSC Advances","2021","11","39","23943","23947","10.1039/D1RA02903G","","x-ray","0.71073","MoKα","","0.0223","0.0199","","","0.0486","0.0495","","","","","","1.093","","","","has coordinates","267366","2021-07-08","04:38:31",""
"7243185","17.3308","0.0004","6.6787","0.0002","6.4347","0.0001","90","","90","","90","","744.8","0.03","301","2","301","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Eu P Rb S4 -","- Eu P Rb S4 -","- Eu4 P4 Rb4 S16 -","4","0.5","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0263","0.0247","","","0.0638","0.0647","","","","","","1.171","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243268","10.1584","0.0002","6.6612","0.0002","18.5993","0.0005","90","","90","","90","","1258.56","0.06","193","2","193","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H13 N O5 -","- C13 H12.5 N O5 -","- C52 H50 N4 O20 -","4","0.5","","Duan, Guiyun; Liu, Hao; Zhang, Liqing; Yuan, Chunhao; Li, Yongchao; Ge, Yanqing","Access to 6-hydroxy indolizines and related imidazo[1,5-a]pyridines through the SN2 substitution/condensation/tautomerization cascade process","RSC Advances","2021","11","41","25624","25627","10.1039/D1RA04425G","","","1.34139","GaKα","","0.0615","0.0556","","","0.1519","0.1573","","","","","","1.099","","","","has coordinates,has disorder","267741","2021-07-25","04:22:02",""
"7243553","17.3198","0.0006","7.5743","0.0003","10.1087","0.0004","90","","90","","90","","1326.11","0.09","150","0.1","150","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H14 Cl5 Cu3 N2 -","- C6 H14 Cl5 Cu3 N2 -","- C24 H56 Cl20 Cu12 N8 -","4","0.5","","Goreshnik, Evgeny","Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers","CrystEngComm","2021","23","40","7171","7178","10.1039/D1CE01048D","","x-ray","1.54184","CuKα","","0.0483","0.0398","","","0.0985","0.1069","","","","","","1.049","","","","has coordinates","270443","2021-11-06","19:57:25",""
"7243560","17.3198","0.0006","7.5743","0.0003","10.1087","0.0004","90","","90","","90","","1326.11","0.09","150","0.1","150","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H14 Cl5 Cu3 N2 -","- C6 H14 Cl5 Cu3 N2 -","- C24 H56 Cl20 Cu12 N8 -","4","0.5","","Sun, Tingting; Lin, Shuang-Yan; Xu, Zhikun; Li, L.","In-situ growth of Fe doped NiCo-MOF electrocatalyst from layered double hydroxide effectively enhances electrocatalytic oxygen evolution performance","CrystEngComm","2021","","","","","10.1039/D1CE01220G","","x-ray","1.54184","CuKα","","0.0483","0.0398","","","0.0985","0.1069","","","","","","1.049","","","","has coordinates","269247","2021-09-22","22:41:32",""
"7243587","28.1354","0.0006","22.945","0.0006","7.8933","0.0002","90","","90","","90","","5095.7","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-samarium","(phthalocyaninato)-(phthalocyaninato-radical)-samarium(III)","","- C65 H34 Cl2 N16 Sm -","- C65 H34 Cl2 N16 Sm -","- C260 H136 Cl8 N64 Sm4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0446","0.031","","","0.081","0.0944","","","","","","0.876","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243590","28.0851","0.0016","22.9636","0.0013","7.8897","0.0004","90","","90","","90","","5088.3","0.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(bis)phthalocyanine neodymium","(phthalocyaninato)-(phthalocyaninato-radical)neodymium(III)","","- C65 H34 Cl2 N16 Nd -","- C65 H34 Cl2 N16 Nd -","- C260 H136 Cl8 N64 Nd4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0396","0.0266","","","0.0588","0.0646","","","","","","1.043","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243591","28.356","0.003","22.882","0.003","8.046","0.001","90","","90","","90","","5220.6","1.1","373","2","373","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-gadolinium","(phthalocyaninato)-(phthalocyaninato-radical)-gadolinium(III)","","- C65 H34 Cl2 Gd N16 -","- C65 H34 Cl2 Gd N16 -","- C260 H136 Cl8 Gd4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0849","0.0445","","","0.0857","0.0987","","","","","","1.02","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243593","28.01","0.003","22.923","0.003","7.8994","0.001","90","","90","","90","","5072","1.1","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-dysprosium","(phthalocyaninato)-(phthalocyaninato-radical)-dysprosium(II)","","- C65 H34 Cl2 Dy N16 -","- C65 H34 Cl2 Dy N16 -","- C260 H136 Cl8 Dy4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0729","0.0421","","","0.0801","0.089","","","","","","1.036","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243594","27.955","0.006","22.921","0.005","7.8802","0.0017","90","","90","","90","","5049.3","1.9","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(bis)phthalocyaninato-ytterbium","(phthalocyaninato)-(phthalocyaninato-radical)-ytterbium(III)","","- C65 H34 Cl2 N16 Yb -","- C65 H34 Cl2 N16 Yb -","- C260 H136 Cl8 N64 Yb4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0949","0.0498","","","0.1081","0.1282","","","","","","0.972","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243598","28.0409","0.0009","22.944","0.0007","7.8783","0.0002","90","","90","","90","","5068.7","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-lanthanum","(phthalocyaninato)-(phthalocyaninato-radical)-lanthanum(III)","","- C65 H34 Cl2 La N16 -","- C65 H34 Cl2 La N16 -","- C260 H136 Cl8 La4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0382","0.0301","","","0.0763","0.0797","","","","","","1.073","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243601","28.016","0.003","22.942","0.003","7.8678","0.0007","90","","90","","90","","5057","1","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-erbium","(phthalocyaninato)-(phthalocyaninato-radical)-erbium(III)","","- C65 H34 Cl2 Er N16 -","- C65 H34 Cl2 Er N16 -","- C260 H136 Cl8 Er4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0657","0.046","","","0.0856","0.0928","","","","","","1.028","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243605","28.0516","0.0007","22.9642","0.0008","7.8827","0.0002","90","","90","","90","","5077.9","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-terbium","(phthalocyaninato)-(phthalocyaninato-radical)-terbium(III)","","- C65 H34 Cl2 N16 Tb -","- C65 H34 Cl2 N16 Tb -","- C260 H136 Cl8 N64 Tb4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.029","0.0239","","","0.0596","0.062","","","","","","1.046","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243607","28.1128","0.0016","22.9663","0.0014","7.8883","0.0005","90","","90","","90","","5093.1","0.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-praseodymium","(phthalocyaninato)-(phthalocyaninato-radical)-praseodymium(III)","","- C65 H34 Cl2 N16 Pr -","- C65 H34 Cl2 N16 Pr -","- C260 H136 Cl8 N64 Pr4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0385","0.0294","","","0.0708","0.0752","","","","","","1.067","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243615","18.3597","0.0008","30.8839","0.0013","11.3262","0.0004","90","","90","","90","","6422.2","0.5","193","","193","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Zn-MOF","","- C16 H21 N2 O6 Zn -","- C16 H21 N2 O6 Zn -","- C128 H168 N16 O48 Zn8 -","8","1","","Chen, Mao-Long; Qi, Zhen-Li; Jin, Wan-Ting; Xu, Zhou; Cheng, Yun-Hui; Zhou, Zhao-Hui","Cation exchange in a fluorescent zinc-based metal–organic framework for cadmium ion detection","CrystEngComm","2021","23","42","7442","7449","10.1039/D1CE00931A","","x-ray","1.54184","CuKα","","0.0772","0.07","","","0.1844","0.1901","","","","","","1.079","","","","has coordinates","270418","2021-11-06","19:49:37",""
"7243669","14.727","0.003","23.437","0.005","5.987","0.0012","90","","90","","90","","2066.5","0.7","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H28 Cd N2 O5 -","- C22 H28 Cd N2 O5 -","- C88 H112 Cd4 N8 O20 -","4","0.5","","Soltani, Sajjad; Akhbari, Kamran; White, Jonathan","Effect of structural features on the stability and bactericidal potential of two cadmium coordination polymers","CrystEngComm","2021","23","42","7450","7461","10.1039/D1CE00979F","","","0.710918","Synchrotron","","0.0471","0.0461","","","0.1247","0.1255","","","","","","1.113","","","","has coordinates","270428","2021-11-06","19:51:30",""
"7243672","14.727","0.003","23.437","0.005","5.987","0.0012","90","","90","","90","","2066.5","0.7","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H28 Cd N2 O5 -","- C22 H28 Cd N2 O5 -","- C88 H112 Cd4 N8 O20 -","4","0.5","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","","0.710918","Synchrotron","","0.0471","0.0461","","","0.1247","0.1255","","","","","","1.113","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243683","7.8228","0.0003","13.8222","0.0006","16.4334","0.0008","90","","90","","90","","1776.92","0.13","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0296","0.0226","","","0.0467","0.0487","","","","","","1.042","","","","has coordinates","271159","2021-12-07","02:53:53",""
"7243684","7.8558","0.0003","13.8616","0.0005","16.5205","0.0007","90","","90","","90","","1798.98","0.12","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0403","0.0262","","","0.0507","0.0546","","","","","","0.992","","","","has coordinates","271159","2021-12-07","02:53:56",""
"7243685","7.9139","0.0003","13.9195","0.0006","16.6734","0.0008","90","","90","","90","","1836.7","0.14","315","2","315","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0536","0.0282","","","0.0444","0.0494","","","","","","1.027","","","","has coordinates","271159","2021-12-07","02:53:58",""
"7243686","7.9357","0.0003","13.9514","0.0006","16.7733","0.0008","90","","90","","90","","1857.04","0.14","350","2","350","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0676","0.034","","","0.0543","0.0619","","","","","","1.027","","","","has coordinates","271159","2021-12-07","02:53:59",""
"7243687","7.9192","0.0003","13.9256","0.0006","16.7036","0.0008","90","","90","","90","","1842.07","0.14","330","2","330","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0589","0.0314","","","0.0518","0.0577","","","","","","1.038","","","","has coordinates","271159","2021-12-07","02:54:01",""
"7243688","7.9171","0.0003","13.9272","0.0005","16.6694","0.0007","90","","90","","90","","1838.02","0.12","305","2","305","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0575","0.031","","","0.0491","0.0549","","","","","","1.022","","","","has coordinates","271159","2021-12-07","02:54:05",""
"7243689","7.8962","0.0003","13.9023","0.0005","16.6281","0.0008","90","","90","","90","","1825.36","0.13","290","2","290","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0483","0.0268","","","0.0453","0.0502","","","","","","1.026","","","","has coordinates","271159","2021-12-07","02:54:05",""
"7243690","7.8377","0.0003","13.8396","0.0006","16.4718","0.0008","90","","90","","90","","1786.71","0.13","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0363","0.0258","","","0.0492","0.0521","","","","","","1.036","","","","has coordinates","271159","2021-12-07","02:54:05",""
"7243691","7.8755","0.0003","13.8822","0.0005","16.5729","0.0007","90","","90","","90","","1811.9","0.12","250","2","250","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0474","0.0272","","","0.0496","0.0543","","","","","","1.031","","","","has coordinates","271159","2021-12-07","02:54:08",""
"7243817","15.1276","0.0011","8.9116","0.0007","11.1889","0.0008","90","","90","","90","","1508.39","0.19","110","","110","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H23 Br N4 Ni O2 -","- C10 H23 Br N4 Ni O2 -","- C40 H92 Br4 N16 Ni4 O8 -","4","0.5","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0548","0.0434","","","0.0814","0.0862","","","","","","1.182","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243859","14.263","0.0005","6.745","0.0002","14.31","0.0005","90","","90","","90","","1376.68","0.08","190","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H15 B F4 Te -","- C13 H15 B F4 Te -","- C52 H60 B4 F16 Te4 -","4","0.5","","Sashida, Haruki; Ohyanagi, Kazuo; Minoura, Mao; Akiba, Kin-ya","Studies on tellurium-containing heterocycles. Part 18. Preparation and structure of 2-benzotelluropyrylium salts and 2-benzoselenopyrylium salts","Journal of the Chemical Society, Perkin Transactions 1","2002","","5","606","612","10.1039/b111045b","","","0.7107","MoKα","","","0.0601","","","","0.1006","","","","","","1.356","","","","has coordinates","270522","2021-11-07","03:46:21",""
"7243860","13.842","0.0004","6.786","0.0001","14.296","0.0005","90","","90","","90","","1342.85","0.06","273.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H15 B F4 Se -","- C13 H15 B F4 Se -","- C52 H60 B4 F16 Se4 -","4","0.5","","Sashida, Haruki; Ohyanagi, Kazuo; Minoura, Mao; Akiba, Kin-ya","Studies on tellurium-containing heterocycles. Part 18. Preparation and structure of 2-benzotelluropyrylium salts and 2-benzoselenopyrylium salts","Journal of the Chemical Society, Perkin Transactions 1","2002","","5","606","612","10.1039/b111045b","","","0.7107","MoKα","","","0.0598","","","","0.1083","","","","","","1.475","","","","has coordinates","270522","2021-11-07","03:46:42",""
"7244293","22.7597","0.0016","6.6011","0.0005","16.7307","0.0012","90","","90","","90","","2513.6","0.3","120","","120","","","","","","","","","4","P n m a","-P 2ac 2n","62","","5-bromo-resorcylic acid dioxane solvate","","- C11 H13 Br O6 -","- C11 H13 Br O6 -","- C88 H104 Br8 O48 -","8","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0693","0.0434","","","0.088","0.097","","","","","","1.083","","","","has coordinates","272229","2022-01-25","23:38:06",""
"7244316","10.3261","0.0015","6.0071","0.001","4.6943","0.0007","90","","90","","90","","291.19","0.08","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","LiFePO4","Nitrided LFP","","- Fe Li0.94 N0.16 O3.84 P -","- Fe Li0.94 N0.16 O3.84 P -","- Fe4 Li3.76 N0.64 O15.36 P4 -","4","0.5","","Mayer, Sergio Federico; de la Calle, Cristina; Fernández-Díaz, María Teresa; Amarilla, José Manuel; Alonso, José Antonio","Nitridation effect on lithium iron phosphate cathode for rechargeable batteries","RSC Advances","2022","12","6","3696","3707","10.1039/D1RA07574H","powder diffraction","","1.594","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.396","0.909","","","","","","","has coordinates","272340","2022-01-29","02:07:11",""
"7244360","19.9543","0.001","19.7136","0.0009","13.2726","0.0006","90","","90","","90","","5221.1","0.4","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4.33 H7.72 B0.64 N1.44 O24 Si11.37 -","- C4.326 H7.931 B0.64 N1.442 O24 Si11.36 -","- C34.608 H63.448 B5.12 N11.536 O192 Si90.88 -","8","1","","Ma, Yufang; Wang, Lei; Chen, Lei; Shen, Meikun; Yang, Xue; Wang, Tengteng; yuan, feixiang; Zhou, Yu; Wang, Jun; Zhu, Hongjun","Anchoring Boron Atom to the Specific Tetrahedral Sites of Borosilicate MFI by Imidazolium-based Molecules","CrystEngComm","2022","","","","","10.1039/D1CE01686E","powder diffraction","x-ray","0.6887","synchrotron","","","","","","","","","0.012","2.142","","","","","","","has coordinates","272846","2022-02-07","23:41:12",""
"7244361","20.0445","0.0002","19.9204","0.0002","13.3984","0.0001","90","","90","","90","","5349.91","0.09","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","TPA_MFI","","","- C7.08 H15.34 B0.09 N0.59 O24 Si11.71 -","- C7.08 H15.635 B0.0875 N0.59 O24 Si11.7138 -","- C56.64 H125.08 B0.7 N4.72 O192 Si93.7104 -","8","1","","Ma, Yufang; Wang, Lei; Chen, Lei; Shen, Meikun; Yang, Xue; Wang, Tengteng; yuan, feixiang; Zhou, Yu; Wang, Jun; Zhu, Hongjun","Anchoring Boron Atom to the Specific Tetrahedral Sites of Borosilicate MFI by Imidazolium-based Molecules","CrystEngComm","2022","","","","","10.1039/D1CE01686E","powder diffraction","x-ray","0.6887","synchrotron","","","","","","","","","0.039","3.512","","","","","","","has coordinates","272846","2022-02-07","23:41:13",""
"7244362","19.9997","0.001","19.7849","0.001","13.3278","0.0006","90","","90","","90","","5273.7","0.4","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4.91 H9.18 B0.59 N1.11 O24 Si11.44 -","- C5.064 H9.495 B0.59 N1.266 O24 Si11.41 -","- C40.512 H75.96 B4.72 N10.128 O192 Si91.28 -","8","1","","Ma, Yufang; Wang, Lei; Chen, Lei; Shen, Meikun; Yang, Xue; Wang, Tengteng; yuan, feixiang; Zhou, Yu; Wang, Jun; Zhu, Hongjun","Anchoring Boron Atom to the Specific Tetrahedral Sites of Borosilicate MFI by Imidazolium-based Molecules","CrystEngComm","2022","","","","","10.1039/D1CE01686E","powder diffraction","x-ray","0.6887","synchrotron","","","","","","","","","0.016","1.929","","","","","","","has coordinates","272846","2022-02-07","23:41:13",""
"7244363","19.9106","0.0011","19.6572","0.0011","13.2495","0.0007","90","","90","","90","","5185.7","0.5","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3.97 H7.5 B0.79 N1.67 O24 Si11.21 -","- C4.165 H7.497 B0.79 N1.666 O24 Si11.21 -","- C33.32 H59.976 B6.32 N13.328 O192 Si89.68 -","8","1","","Ma, Yufang; Wang, Lei; Chen, Lei; Shen, Meikun; Yang, Xue; Wang, Tengteng; yuan, feixiang; Zhou, Yu; Wang, Jun; Zhu, Hongjun","Anchoring Boron Atom to the Specific Tetrahedral Sites of Borosilicate MFI by Imidazolium-based Molecules","CrystEngComm","2022","","","","","10.1039/D1CE01686E","powder diffraction","x-ray","0.6887","synchrotron","","","","","","","","","0.562","1.494","","","","","","","has coordinates","272846","2022-02-07","23:41:13",""
"7244364","19.9892","0.0003","19.761","0.0003","13.3066","0.0003","90","","90","","90","","5256.19","0.16","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C5.08 H10.56 B0.78 N1.37 O24 Si11.22 -","- C5.278 H10.558 B0.78 N1.564 O24 Si11.22 -","- C42.224 H84.464 B6.24 N12.512 O192 Si89.76 -","8","1","","Ma, Yufang; Wang, Lei; Chen, Lei; Shen, Meikun; Yang, Xue; Wang, Tengteng; yuan, feixiang; Zhou, Yu; Wang, Jun; Zhu, Hongjun","Anchoring Boron Atom to the Specific Tetrahedral Sites of Borosilicate MFI by Imidazolium-based Molecules","CrystEngComm","2022","","","","","10.1039/D1CE01686E","powder diffraction","x-ray","0.6887","synchrotron","","","","","","","","","0.019","2.186","","","","","","","has coordinates","272846","2022-02-07","23:41:13",""
"7244535","29.8656","0.0017","7.1127","0.0004","10.0461","0.0005","90","","90","","90","","2134","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","(E)-2-(2-(4-((2-azidoethyl)(methyl)amino)styryl)-6-(tert-butyl)-4H-pyran-4-ylidene)malononitrile","","- C23 H24 N6 O -","- C23 H24 N6 O -","- C92 H96 N24 O4 -","4","0.5","","Zhou, Yang; Maisonneuve, Stéphane; Casimiro, Lorenzo; Retailleau, Pascal; Xie, Juan; Maurel, François; Métivier, Rémi","Photoisomerization of a 4-dicyanomethylene-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran analog dye: a combined photophysical and theoretical investigation","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D1CP05170A","","x-ray","0.71073","MoKα","","0.0731","0.0659","","","0.2012","0.2093","","","","","","1.091","","","","has coordinates","273201","2022-03-02","01:52:07",""
"7244546","15.5333","0.0006","6.3618","0.0003","7.9158","0.0003","90","","90","","90","","782.24","0.06","173","0.14","173","0.14","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H8 Br N3 -","- C6 H8 Br N3 -","- C24 H32 Br4 N12 -","4","0.5","","Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Pugh, David; Kay, Christopher William Michael; Welton, Tom","Effect of the cation structure on the properties of homobaric imidazolium ionic liquids","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D1CP05169E","","x-ray","0.71073","MoKα","","0.0413","0.0329","","","0.084","0.0899","","","","","","1.048","","","","has coordinates,has disorder","273215","2022-03-03","01:49:31",""
"7244554","14.9547","0.0005","6.2734","0.0002","7.8292","0.0003","90","","90","","90","","734.51","0.04","173","0.14","173","0.14","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H8 Cl N3 -","- C6 H8 Cl N3 -","- C24 H32 Cl4 N12 -","4","0.5","","Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Pugh, David; Kay, Christopher William Michael; Welton, Tom","Effect of the cation structure on the properties of homobaric imidazolium ionic liquids","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D1CP05169E","","x-ray","0.71073","MoKα","","0.0386","0.031","","","0.0712","0.0741","","","","","","1.081","","","","has coordinates,has disorder","273215","2022-03-03","01:49:33",""
"7244949","12.7428","0.0006","9.5341","0.0003","8.5326","0.0003","90","","90","","90","","1036.64","0.07","413","5","413","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag2.999 B6 I O10 -","- Ag11.996 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.0794","0.059","","","0.0741","0.0761","","","","3.74","3.74","3.24","","","","has coordinates","275527","2022-05-18","22:41:06",""
"7244950","12.7477","0.0005","9.5347","0.0003","8.5287","0.0003","90","0.003","90","0.003","90","0.003","1036.63","0.06","393","5","393","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag2.999 B6 I O10 -","- Ag11.996 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.0794","0.0599","","","0.0744","0.0761","","","","3.73","3.73","3.21","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7244951","12.7504","0.0005","9.537","0.0003","8.5317","0.0003","90","","90","","90","","1037.46","0.06","383","4","383","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag2.9992 B6 I O10 -","- Ag11.9968 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.0798","0.0596","","","0.0716","0.0732","","","","3.69","3.69","3.16","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7244952","12.7702","0.0006","9.5617","0.0004","8.5156","0.0004","90","","90","","90","","1039.8","0.08","573","0.5","573","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag3 B6 I O10 -","- Ag12 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.1187","0.0581","","","0.0571","0.0628","","","","3.16","3.16","2.39","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7244953","12.8162","0.0006","9.9063","0.0005","7.6762","0.0004","90","","90","","90","","974.58","0.08","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B6 I Na3 O10 -","- B6 I Na3 O10 -","- B24 I4 Na12 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.0394","0.0277","","","0.0296","0.0309","","","","1.44","1.44","1.33","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7244954","12.7566","0.0015","9.705","0.0012","8.4295","0.001","90","","90","","90","","1043.6","0.2","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag3 B6 I O10 -","- Ag12 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.0471","0.0311","","","0.0358","0.0378","","","","1.83","1.83","1.66","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7244955","12.7726","0.0007","9.5739","0.0005","8.4899","0.0005","90","","90","","90","","1038.18","0.1","673","0.6","673","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag2.998 B6 I O10 -","- Ag11.992 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.1045","0.0598","","","0.0631","0.0681","","","","3","3","2.37","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7245111","7.5672","0.0003","22.2189","0.0008","15.2555","0.0006","90","","90","","90","","2564.98","0.17","99","","99","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H23 N5 O14 -","- C22 H23 N5 O14 -","- C88 H92 N20 O56 -","4","0.5","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0856","0.054","","","0.1251","0.1395","","","","","","1.079","","","","has coordinates","276412","2022-06-29","22:40:39",""
"7245214","14.3168","0.0008","18.7687","0.0011","8.9267","0.0005","90","","90","","90","","2398.7","0.2","150","","143","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H20 Cu2 N3 P -","- C27 H20 Cu2 N3 P -","- C108 H80 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.0612","0.0378","","","0.092","0.1089","","","","","","1.0967","","","","has coordinates,has disorder","276947","2022-07-26","22:35:41",""
"7245215","14.325","0.0006","19.0152","0.0008","8.917","0.0004","90","","90","","90","","2428.93","0.18","300","","303","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H20 Cu2 N3 P -","- C27 H20 Cu2 N3 P -","- C108 H80 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.0791","0.0423","","","0.0947","0.1146","","","","","","1.0671","","","","has coordinates,has disorder","276947","2022-07-26","22:35:49",""
"7245216","14.3252","0.0005","18.935","0.0007","8.9216","0.0003","90","","90","","90","","2419.96","0.15","250","","250","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H20 Cu2 N3 P -","- C27 H20 Cu2 N3 P -","- C108 H80 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.0602","0.0379","","","0.0889","0.1027","","","","","","1.0801","","","","has coordinates,has disorder","276947","2022-07-26","22:35:52",""
"7245217","14.3204","0.0009","18.8505","0.0013","8.9253","0.0006","90","","90","","90","","2409.4","0.3","200","","196","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H23 Cu2 N3 P -","- C27 H23 Cu2 N3 P -","- C108 H92 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.0695","0.0426","","","0.1067","0.1233","","","","","","1.0581","","","","has coordinates,has disorder","276947","2022-07-26","22:36:03",""
"7245218","14.3334","0.0008","19.0929","0.0011","8.9152","0.0005","90","","90","","90","","2439.8","0.2","350","","357","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H20 Cu2 N3 P -","- C27 H20 Cu2 N3 P -","- C108 H80 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.067","0.0396","","","0.0954","0.1147","","","","","","1.085","","","","has coordinates,has disorder","276947","2022-07-26","22:36:05",""
"7245219","14.3364","0.0017","19.171","0.002","8.9148","0.0011","90","","90","","90","","2450.2","0.5","400","","410","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H20 Cu2 N3 P -","- C27 H20 Cu2 N3 P -","- C108 H80 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.0616","0.0387","","","0.0962","0.1136","","","","","","1.0949","","","","has coordinates,has disorder","276947","2022-07-26","22:36:08",""
"7245360","9.862","0.0002","6.3853","0.0002","25.0333","0.0005","90","","90","","90","","1576.39","0.07","100","2","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H12 I N5 S -","- C14 H12 I N5 S -","- C56 H48 I4 N20 S4 -","4","0.5","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0362","0.028","","","0.0529","0.0578","","","","","","1.061","","","","has coordinates","277360","2022-08-23","22:33:31",""
"7245727","7.1219","0.0004","10.9301","0.0006","11.484","0.0007","90","","90","","90","","893.95","0.09","100","","100","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Fe4 K6 S8 -","- Fe4 K6 S8 -","- Fe8 K12 S16 -","2","0.25","","Ghazanfari, Mohammad R.; Santhosh, Archa; Vrijmoed, Johannes C.; Siemensmeyer, Konrad; Peters, Bertram; Dehnen, Stefanie; Jerabek, Paul; Thiele, Günther","Large-scale synthesis of mixed valence K3[Fe2S4] with high dielectric and ferrimagnetic characteristics","RSC Advances","2022","12","47","30514","30521","10.1039/D2RA05200H","","","0.71073","MoKα","","0.0555","0.0428","","","0.0691","0.0724","","","","","","1.141","","","","has coordinates","278831","2022-10-27","01:40:06",""
"7245812","7.501","0.002","14.316","0.004","6.1485","0.0016","90","","90","","90","","660.3","0.3","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- La3 Ni3 Si2 -","- La3 Ni3 Si2 -","- La12 Ni12 Si8 -","4","0.5","","Pani, Marcella; Provino, Alessia; Smetana, Volodymyr; Shtender, Vitalii; Bernini, Cristina; Mudring, Anja-Verena; Manfrinetti, Pietro","Four ternary silicides in the La–Ni–Si system: from polyanionic layers to frameworks","CrystEngComm","2022","","","","","10.1039/D2CE01007K","","","0.71073","MoKα","","0.0216","0.0214","","","0.0546","0.0547","","","","","","1.249","","","","has coordinates","279271","2022-11-14","23:45:40",""
"7246028","12.6831","0.0003","10.8758","0.0002","6.7333","0.0002","90","","90","","90","","928.78","0.04","327.97","0.1","327.97","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H10 N2 O4 S -","- C7 H10 N2 O4 S -","- C28 H40 N8 O16 S4 -","4","0.5","","Yu, Zihong; You, Xiuli; Du, Wenqing; Peng, Ziqin; Guo, Wenjing; Wei, Zhenhong","The mechanism of two reversible phase transitions and dielectric anomalies in a single-component organic molecule 1-sulfo-4-dimethylamino-pyridinium","CrystEngComm","2023","25","5","822","827","10.1039/D2CE01521H","","x-ray","1.54184","CuKα","","0.0685","0.0662","","","0.2212","0.226","","","","","","1.125","","","","has coordinates,has disorder","281417","2023-03-04","18:10:54",""
"7246029","12.6737","0.0004","10.861","0.0004","6.7004","0.0002","90","","90","","90","","922.3","0.05","292.96","0.1","292.96","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H10 N2 O4 S -","- C7 H10 N2 O4 S -","- C28 H40 N8 O16 S4 -","4","0.5","","Yu, Zihong; You, Xiuli; Du, Wenqing; Peng, Ziqin; Guo, Wenjing; Wei, Zhenhong","The mechanism of two reversible phase transitions and dielectric anomalies in a single-component organic molecule 1-sulfo-4-dimethylamino-pyridinium","CrystEngComm","2023","25","5","822","827","10.1039/D2CE01521H","","x-ray","1.54184","CuKα","","0.0787","0.0735","","","0.2213","0.2287","","","","","","1.111","","","","has coordinates,has disorder","281417","2023-03-04","18:10:54",""
"7246101","6.3129","0.0003","30.172","0.0012","7.2937","0.0004","90","","90","","90","","1389.25","0.11","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","MBFP","2,5-bis(3-bromophenyl)furan","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","0.5","","Dyk, Konrad; Kinzhybalo, Vasyl; Czernel, Grzegorz; Grudziński, Wojciech; Horak, Yuriy; Butenko, Serhii; Kamiński, Daniel M.","Solvent induced conformational polymorphism","CrystEngComm","2023","25","6","971","980","10.1039/D2CE01681H","","x-ray","0.71073","MoKα","","0.1015","0.0578","","","0.12","0.1354","","","","","","1.108","","","","has coordinates","281448","2023-03-04","18:18:21",""
"7246272","15.673","0.0017","10.8757","0.0009","14.278","0.0015","90","","90","","90","","2433.8","0.4","365.01","0.11","365.01","0.11","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H38 Cl N O11 -","- C19 H38 Cl N O11.002 -","- C76 H152 Cl4 N4 O44.008 -","4","0.5","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.3081","0.2497","","","0.623","0.659","","","","","","2.479","","","","has coordinates,has disorder","281454","2023-03-04","18:20:05",""
"7246298","9.176","","10.505","","13.141","","90","","90","","90","","1266.71","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tricesium Dicopper(I) Chloride","","- Cl5 Cs3 Cu2 -","- Cl5 Cs3 Cu2 -","- Cl20 Cs12 Cu8 -","4","0.5","","Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana","Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties","RSC Advances","2023","13","9","5993","6001","10.1039/D2RA07100B","","","","","","0.0771","","","","","","","","","","","","","","","has coordinates","281045","2023-02-20","13:34:16",""
"7246299","9.524","","10.979","","13.648","","90","","90","","90","","1427.09","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tricesium Dicopper(I) Bromide","","- Br5 Cs3 Cu2 -","- Br5 Cs3 Cu2 -","- Br20 Cs12 Cu8 -","4","0.5","","Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana","Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties","RSC Advances","2023","13","9","5993","6001","10.1039/D2RA07100B","","","","","","0.0342","","","","","","","","","","","","","","","has coordinates","281045","2023-02-20","13:34:17",""
"7246300","10.1743","","11.6532","","14.3621","","90","","90","","90","","1702.82","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tricesium Dicopper(I) Iodide","","- Cs3 Cu2 I5 -","- Cs3 Cu2 I5 -","- Cs12 Cu8 I20 -","4","0.5","","Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana","Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties","RSC Advances","2023","13","9","5993","6001","10.1039/D2RA07100B","","","","","","0.0709","","","","","","","","","","","","","","","has coordinates","281045","2023-02-20","13:34:17",""
"7246422","11.3761","0.0007","4.3405","0.0003","14.3469","0.0009","90","","90","","90","","708.42","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cu Eu Gd Te3 -","- Cu Eu Gd Te3 -","- Cu4 Eu4 Gd4 Te12 -","4","0.5","","Ruseikina, Anna V.; Grigoriev, Maxim V.; Garmonov, Alexander A.; Molokeev, Maxim S.; Schleid, Thomas; Safin, Damir A.","Synthesis, structures and magnetic properties of the Eu-based quaternary tellurides EuGdCuTe3 and EuLuCuTe3","CrystEngComm","2023","25","12","1716","1722","10.1039/D2CE01578A","","","0.71069","MoKα","","0.0325","0.0248","","","0.0583","0.0605","","","","","","1.082","","","","has coordinates","282336","2023-04-04","10:16:37",""
"7246579","9.1259","0.0007","13.4355","0.001","14.5446","0.0011","90","","90","","90","","1783.3","0.2","120","","120","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H15.5 Cu N2 O4.25 -","- C18 H15.5 Cu N2 O4.2499 -","- C72 H62 Cu4 N8 O16.9996 -","4","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.0825","0.0626","","","0.1297","0.1397","","","","","","1.028","","","","has coordinates,has disorder","284252","2023-06-05","04:21:01",""
"7246714","21.6511","0.0017","6.9602","0.0006","5.9635","0.0005","90","","90","","90","","898.68","0.13","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,4-diazabicyclo[2,2,2]octane iodine chloride","","- C6 H12 Cl0.95 I1.05 N2 -","- C6 H12 Cl0.9528 I1.0472 N2 -","- C24 H48 Cl3.8112 I4.1888 N8 -","4","0.5","","Torubaev, Yury V.; Howe, Devin; Leitus, Gregory; Rosokha, Sergiy V.","The relationship between the crystal habit and the energy framework pattern: a case study involving halogen bonding on the edge of a covalent bond","CrystEngComm","2023","25","23","3380","3390","10.1039/D3CE00316G","","","0.71073","MoKα","","0.049","0.0291","","","0.0563","0.0608","","","","","","1.046","","","","has coordinates","284921","2023-07-05","10:09:27",""
"7246715","21.6028","0.0009","7.1603","0.0003","5.9684","0.0002","90","","90","","90","","923.21","0.06","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,4-diazabicyclo[2,2,2]octane iodine bromide","","- C6 H12 Br0.96 I0.98 N2 -","- C6 H12 Br0.957 I0.983 N2 -","- C24 H48 Br3.828 I3.932 N8 -","4","0.5","","Torubaev, Yury V.; Howe, Devin; Leitus, Gregory; Rosokha, Sergiy V.","The relationship between the crystal habit and the energy framework pattern: a case study involving halogen bonding on the edge of a covalent bond","CrystEngComm","2023","25","23","3380","3390","10.1039/D3CE00316G","","","0.71073","MoKα","","0.0157","0.0141","","","0.0284","0.0287","","","","","","1.105","","","","has coordinates","284921","2023-07-05","10:09:27",""
"7246930","37.455","0.0014","36.5541","0.0014","11.0255","0.0002","90","","90","","90","","15095.4","0.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C112 H84 Mn4 N16 O26 -","- C112 H84 Mn4 N16 O26 -","- C448 H336 Mn16 N64 O104 -","4","0.5","","Yin, Jia-Ling; Yan, Qing-Qing; Liu, Yu-Xin; Yong, Guo-Ping","From zero-dimensional metallomacrocycle to three-dimensional metal–organic frameworks mediated by solvent polarity: near-white light emissions and gas adsorption properties","CrystEngComm","2023","25","31","4435","4444","10.1039/D3CE00476G","","x-ray","1.54184","CuKα","","0.135","0.0883","","","0.2529","0.2972","","","","","","0.994","","","","has coordinates","286118","2023-09-05","19:43:01",""
"7247281","11.563","0.006","17.139","0.008","4.8436","0.0019","90","","90","","90","","959.9","0.8","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H4 N2 Se2 -","- C8 H4 N2 Se2 -","- C32 H16 N8 Se8 -","4","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.1206","0.0688","","","0.1798","0.2156","","","","","","1.049","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247283","11.2833","0.0019","18.088","0.003","4.056","0.0007","90","","90","","90","","827.8","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H2 N2 S Se2 -","- C6 H2 N2 S Se2 -","- C24 H8 N8 S4 Se8 -","4","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.0194","0.0182","","","0.0449","0.0453","","","","","","1.095","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247457","22.1459","0.0003","12.0673","0.0002","12.5517","0.0002","90","","90","","90","","3354.33","0.09","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H29 Mn2 N10 O13 -","- C24 H28 Mn2 N10 O13 -","- C96 H112 Mn8 N40 O52 -","4","0.5","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","1.54184","CuKα","","0.0892","0.0876","","","0.2234","0.2242","","","","","","1.191","","","","has coordinates,has disorder","288791","2024-01-06","07:57:26",""
"7247619","12.102","0.004","6.6333","0.0011","17.915","0.004","90","","90","","90","","1438.1","0.6","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H10 Ag F6 N2 Sb -","- C12 H10 Ag F5.9998 N2 Sb -","- C48 H40 Ag4 F23.9992 N8 Sb4 -","4","0.5","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0226","0.0197","","","0.0502","0.0509","","","","","","1.123","","","","has coordinates,has disorder","288084","2023-12-06","15:09:34",""
"7247834","13.3687","0.0006","19.6383","0.0009","12.8093","0.0005","90","","90","","90","","3362.9","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H24 Cu2 N6 O17 -","- C34 H24 Cu2 N6 O17 -","- C136 H96 Cu8 N24 O68 -","4","0.5","","Duan, Wen-Long; Yan, Ming-Yue; Yan, Feng; Luan, Jian","Fabrication of two 5-R-isophthalic acid-modulated Cu-based coordination polymers as urease inhibitors","CrystEngComm","2024","26","3","324","333","10.1039/D3CE01109G","","","0.71073","MoKα","","0.0799","0.0402","","","0.0922","0.1094","","","","","","1","","","","has coordinates","289451","2024-02-04","11:39:36",""
"7248137","8.8896","0.0001","4.3363","0.0001","17.221","0.0002","90","","90","","90","","663.835","0.019","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 Mn S3 -","- Ba2 Mn S3 -","- Ba8 Mn4 S12 -","4","0.5","","Moore, Benjamin J.; Cui, Z. X.; Liu, Y.; Gutmann, Matthias J.; Teather, E. N.; Orlandi, Fabio; Balz, Christian; Manuel, Pascal; Perry, R. S.","Crystal growth of ternary metal sulfides from an open melt: Ba2MnS3","CrystEngComm","2024","26","10","1444","1452","10.1039/D3CE00977G","","neutron","","neutron","","0.0644","0.0644","","","0.097","0.097","","","","1.91","1.91","1.91","","","","has coordinates","290879","2024-04-04","23:03:55",""
"7248138","8.824","0.0001","4.3415","0.0001","17.1357","0.0002","90","","90","","90","","656.458","0.019","25","","25","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 Mn S3 -","- Ba2 Mn S3 -","- Ba8 Mn4 S12 -","4","0.5","","Moore, Benjamin J.; Cui, Z. X.; Liu, Y.; Gutmann, Matthias J.; Teather, E. N.; Orlandi, Fabio; Balz, Christian; Manuel, Pascal; Perry, R. S.","Crystal growth of ternary metal sulfides from an open melt: Ba2MnS3","CrystEngComm","2024","26","10","1444","1452","10.1039/D3CE00977G","","neutron","","neutron","","0.0699","0.0699","","","0.1067","0.1067","","","","1.4","1.4","1.4","","","","has coordinates","290879","2024-04-04","23:03:55",""
"7248204","11.7879","0.0006","15.0748","0.0009","11.0619","0.0007","90","","90","","90","","1965.7","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H15 Cl2 N3 Zn -","- C22 H15 Cl2 N3 Zn -","- C88 H60 Cl8 N12 Zn4 -","4","0.5","","Lee, Pei-Chin; Huang, Tzu-Chiao; Wu, Jing-Yun","Wavelike zinc coordination polymers: anion-modulated ligand conformation and fluorescence detection of 4-aminobenzylamine","CrystEngComm","2024","26","13","1819","1828","10.1039/D3CE01228J","","","0.71073","MoKα","","0.0565","0.0428","","","0.1152","0.1356","","","","","","1.11","","","","has coordinates","290886","2024-04-04","23:06:49",""
"7248367","13.7185","0.0018","7.2021","0.0009","8.8003","0.0012","90","","90","","90","","869.5","0.2","150","2","150","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","","","","- C8 H5 Br2 N -","- C8 H5 Br2 N -","- C32 H20 Br8 N4 -","4","0.5","","Kupietz, Kamil; Gomila, Rosa Maria; Roisnel, Thierry; Frontera, Antonio; Gramage-Doria, Rafael","Shortening C≡N···Br-Csp3 halogen bonds via π-stacking","CrystEngComm","2024","","","","","10.1039/D4CE00307A","","x-ray","0.71073","MoKα","","0.0316","0.0238","","","0.0523","0.0563","","","","","","1.045","","","","has coordinates","290719","2024-04-01","22:40:10",""
"7248508","21.3719","0.0001","12.2556","0.0001","17.2118","0.0001","90","","90","","90","","4508.21","0.05","99.99","0.1","99.99","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H20 Ag2 Br3 P -","- C8 H20 Ag2 Br3 P -","- C96 H240 Ag24 Br36 P12 -","12","1.5","","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","","x-ray","1.54184","CuKα","","0.03","0.0296","","","0.0862","0.0866","","","","","","1.0433","","","","has coordinates,has disorder","291322","2024-04-22","23:07:16",""
"7700078","16.9103","0.0011","6.3543","0.0004","12.5868","0.0008","90","","90","","90","","1352.49","0.15","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H10 Cu2 I3 N -","- C7 H10 Cu2 I3 N -","- C28 H40 Cu8 I12 N4 -","4","0.5","","Yue, Cheng-Yang; Lin, Na; Gao, Lu; Jin, Ying-Xue; Liu, Zhao-Yang; Cao, Yao-Yao; Han, Sha-Sha; Lian, Xi-Kai; Hu, Bing; Lei, Xiao-Wu","Organic cation directed one-dimensional cuprous halide compounds: syntheses, crystal structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10151","10159","10.1039/c9dt01460h","","","0.71073","MoKα","","0.0258","0.0217","","","0.0495","0.0513","","","","","","1.067","","","","has coordinates","223874","2020-10-21","18:00:00",""
"7700079","17.951","0.002","7.9123","0.001","10.4907","0.0014","90","","90","","90","","1490","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H14 Br5 Cu3 N2 -","- C6 H14 Br5 Cu3 N2 -","- C24 H56 Br20 Cu12 N8 -","4","0.5","","Yue, Cheng-Yang; Lin, Na; Gao, Lu; Jin, Ying-Xue; Liu, Zhao-Yang; Cao, Yao-Yao; Han, Sha-Sha; Lian, Xi-Kai; Hu, Bing; Lei, Xiao-Wu","Organic cation directed one-dimensional cuprous halide compounds: syntheses, crystal structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10151","10159","10.1039/c9dt01460h","","","0.71073","MoKα","","0.0537","0.0443","","","0.1105","0.1176","","","","","","1.033","","","","has coordinates","223874","2020-10-21","18:00:00",""
"7700081","18.748","0.003","8.3956","0.0012","11.0005","0.0016","90","","90","","90","","1731.5","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H14 Cu3 I5 N2 -","- C6 H14 Cu3 I5 N2 -","- C24 H56 Cu12 I20 N8 -","4","0.5","","Yue, Cheng-Yang; Lin, Na; Gao, Lu; Jin, Ying-Xue; Liu, Zhao-Yang; Cao, Yao-Yao; Han, Sha-Sha; Lian, Xi-Kai; Hu, Bing; Lei, Xiao-Wu","Organic cation directed one-dimensional cuprous halide compounds: syntheses, crystal structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10151","10159","10.1039/c9dt01460h","","","0.71073","MoKα","","0.0226","0.0208","","","0.0495","0.0504","","","","","","1.018","","","","has coordinates","223874","2020-10-21","18:00:00",""
"7700110","16.7908","0.0007","15.7747","0.0006","10.9869","0.0005","90","","90","","90","","2910.1","0.2","200","2","199.99","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C92 H112 F48 N12 P8 Rh4 -","- C92 H112 F48 N12 P8 Rh4 -","- C92 H112 F48 N12 P8 Rh4 -","1","0.125","","Lionetti, Davide; Day, Victor W.; Blakemore, James D.","Structural and chemical properties of half-sandwich rhodium complexes supported by the bis(2-pyridyl)methane ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12396","12406","10.1039/c9dt01821b","","x-ray","1.54184","CuKα","","0.0408","0.035","","","0.0831","0.0867","","","","","","1.033","","","","has coordinates,has disorder","223978","2020-10-21","18:00:00",""
"7700111","13.882","0.002","12.3599","0.0019","13.397","0.002","90","","90","","90","","2298.7","0.6","200","2","199.99","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C10.5 H12.5 Cl0.5 F3 N P0.5 Rh0.5 -","- C10.5 H12.5 Cl0.5 F3 N P0.5 Rh0.5 -","- C84 H100 Cl4 F24 N8 P4 Rh4 -","8","1","","Lionetti, Davide; Day, Victor W.; Blakemore, James D.","Structural and chemical properties of half-sandwich rhodium complexes supported by the bis(2-pyridyl)methane ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12396","12406","10.1039/c9dt01821b","","x-ray","0.71073","MoKα","","0.0488","0.0371","","","0.0916","0.1012","","","","","","1.039","","","","has coordinates","223978","2020-10-21","18:00:00",""
"7700284","20.9027","0.0002","11.9632","0.00014","22.3054","0.0002","90","","90","","90","","5577.76","0.1","180","2","180","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H31 Co Er O9 P3 -","- C19 H31 Co Er O9 P3 -","- C152 H248 Co8 Er8 O72 P24 -","8","1","","Meng, Yin-Shan; Yang, Mu-Wen; Xu, Ling; Xiong, Jin; Hu, Ji-Yun; Liu, Tao; Wang, Bing-Wu; Gao, Song","Design principle of half-sandwich type erbium single-ion magnets through crystal field engineering: a combined magnetic and electronic structure study.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10407","10411","10.1039/c9dt01954e","","","0.71073","MoKα","","0.0569","0.0481","","","0.1545","0.1637","","","","","","1.091","","","","has coordinates,has disorder","223774","2020-10-21","18:00:00",""
"7700344","24.6469","0.0014","8.6875","0.0005","9.7514","0.0005","90","","90","","90","","2088","0.2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H18 B3 F12 N7 O2 Ru -","- C6 H18 B3 F12 N7 O2 Ru -","- C24 H72 B12 F48 N28 O8 Ru4 -","4","0.5","","Roveda, Jr, Antonio C; Santos, Willy G.; Souza, Maykon L.; Adelson, Charles N.; Gonçalves, Felipe S; Castellano, Eduardo E.; Garino, Claudio; Franco, Douglas W.; Cardoso, Daniel R.","Light-activated generation of nitric oxide (NO) and sulfite anion radicals (SO<sub>3</sub>˙<sup>-</sup>) from a ruthenium(ii) nitrosylsulphito complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10812","10823","10.1039/c9dt01432b","","x-ray","0.71073","MoKα","","0.0656","0.0416","","","0.0983","0.1085","","","","","","1.049","","","","has coordinates","223756","2020-10-21","18:00:00",""
"7700353","12.547","0.003","8.969","0.002","16.063","0.004","90","","90","","90","","1807.6","0.7","343","2","343","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H24 Br8 Cd2 S4 -","- C12 H24 Br8 Cd2 S4 -","- C24 H48 Br16 Cd4 S8 -","2","0.25","","Chen, Xiao-Gang; Zhang, Yao-Zu; Sun, Dong-Sheng; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang","Above room-temperature dielectric and nonlinear optical switching materials based on [(CH<sub>3</sub>)<sub>3</sub>S]<sub>2</sub>[MBr<sub>4</sub>] (M = Cd, Mn and Zn).","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11292","11297","10.1039/c9dt02045d","","","0.71073","MoKα","","0.4107","0.1569","","","0.3941","0.5185","","","","","","1.047","","","","has coordinates","224353","2020-10-21","18:00:00",""
"7700354","12.571","0.003","8.88","0.002","16.034","0.003","90","","90","","90","","1789.9","0.7","333","2","333","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H18 Br4 Mn S2 -","- C6 Br4 Mn S2 -","- C24 Br16 Mn4 S8 -","4","0.5","","Chen, Xiao-Gang; Zhang, Yao-Zu; Sun, Dong-Sheng; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang","Above room-temperature dielectric and nonlinear optical switching materials based on [(CH<sub>3</sub>)<sub>3</sub>S]<sub>2</sub>[MBr<sub>4</sub>] (M = Cd, Mn and Zn).","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11292","11297","10.1039/c9dt02045d","","","0.71073","MoKα","","0.2883","0.1312","","","0.3649","0.4704","","","","","","1.021","","","","has coordinates","224353","2020-10-21","18:00:00",""
"7700387","13.486","0.003","3.0841","0.0006","9.0857","0.0018","90","","90","","90","","377.89","0.13","273","2","273","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Cu N6 -","- Cu N6 -","- Cu4 N24 -","4","0.5","","Shi, Taqing; Xu, Ye; Zou, Ya-Jing; Wang, Zhao-Xi","Synthesis, structure and magnetic properties of copper(ii) azide.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11186","11190","10.1039/c9dt01450k","","","0.71073","MoKα","","0.0198","0.0171","","","0.0404","0.0419","","","","","","1.085","","","","has coordinates","224348","2020-10-21","18:00:00",""
"7700681","12.3743","0.0015","9.5728","0.0012","8.4609","0.001","90","","90","","90","","1002.3","0.2","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ba3 Br S4 -","- Al Ba3 Br S4 -","- Al4 Ba12 Br4 S16 -","4","0.5","","Tudi, Abudukadi; Han, Shujuan; Abudurusuli, Ailijiang; Yu, Haohai; Yang, Zhihua; Pan, Shilie","Structural modulation induced by M<sup>IIIA</sup> metals in Ba<sub>3</sub>MQ<sub>4</sub>X (M = Al, Ga, In; Q = S, Se; X = Cl, Br): an experimental and computational analysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12713","12719","10.1039/c9dt01833f","","","0.71073","MoKα","","0.0339","0.0325","","","0.0911","0.0919","","","","","","1.091","","","","has coordinates","223984","2020-10-21","18:00:00",""
"7700682","12.574","0.003","9.858","0.002","8.827","0.002","90","","90","","90","","1094.1","0.4","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ba3 Br Se4 -","- Al Ba3 Br Se4 -","- Al4 Ba12 Br4 Se16 -","4","0.5","","Tudi, Abudukadi; Han, Shujuan; Abudurusuli, Ailijiang; Yu, Haohai; Yang, Zhihua; Pan, Shilie","Structural modulation induced by M<sup>IIIA</sup> metals in Ba<sub>3</sub>MQ<sub>4</sub>X (M = Al, Ga, In; Q = S, Se; X = Cl, Br): an experimental and computational analysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12713","12719","10.1039/c9dt01833f","","","0.71073","MoKα","","0.0333","0.0254","","","0.0562","0.0599","","","","","","1.059","","","","has coordinates","223984","2020-10-21","18:00:00",""
"7700683","12.2257","0.0011","9.5329","0.0009","8.4343","0.0008","90","","90","","90","","982.99","0.16","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ba3 Cl S4 -","- Al Ba3 Cl S4 -","- Al4 Ba12 Cl4 S16 -","4","0.5","","Tudi, Abudukadi; Han, Shujuan; Abudurusuli, Ailijiang; Yu, Haohai; Yang, Zhihua; Pan, Shilie","Structural modulation induced by M<sup>IIIA</sup> metals in Ba<sub>3</sub>MQ<sub>4</sub>X (M = Al, Ga, In; Q = S, Se; X = Cl, Br): an experimental and computational analysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12713","12719","10.1039/c9dt01833f","","","0.71073","MoKα","","0.0159","0.0149","","","0.0318","0.0324","","","","","","1.143","","","","has coordinates","223984","2020-10-21","18:00:00",""
"7700684","12.6532","0.0018","9.8696","0.0014","8.7452","0.0012","90","","90","","90","","1092.1","0.3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ba3 Cl Se4 -","- Al Ba3 Cl Se4 -","- Al4 Ba12 Cl4 Se16 -","4","0.5","","Tudi, Abudukadi; Han, Shujuan; Abudurusuli, Ailijiang; Yu, Haohai; Yang, Zhihua; Pan, Shilie","Structural modulation induced by M<sup>IIIA</sup> metals in Ba<sub>3</sub>MQ<sub>4</sub>X (M = Al, Ga, In; Q = S, Se; X = Cl, Br): an experimental and computational analysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12713","12719","10.1039/c9dt01833f","","","0.71073","MoKα","","0.0215","0.0186","","","0.0393","0.0402","","","","","","1.069","","","","has coordinates","223984","2020-10-21","18:00:00",""
"7700826","10.89","0.0018","17.0382","0.0018","13.0657","0.0015","90","","90","","90","","2424.3","0.6","375","0.1","375","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C38 H60 Mn2 N20 -","- C38 Mn2 N20 -","- C76 Mn4 N40 -","2","0.25","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Stefańska, Dagmara; Macalik, Lucyna; Pikul, Adam; Sieradzki, Adam","Structural, phonon, magnetic and optical properties of novel perovskite-like frameworks of TriBuMe[M(dca)<sub>3</sub>] (TriBuMe = tributylmethylammonium; dca = dicyanamide; M = Mn<sup>2+</sup>, Fe<sup>2+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","34","13006","13016","10.1039/c9dt02924a","","x-ray","0.71073","MoKα","","0.1307","0.0826","","","0.2659","0.3134","","","","","","1.204","","","","has coordinates","224526","2020-10-21","18:00:00",""
"7700839","12.3381","0.0006","19.4322","0.001","10.9337","0.0008","90","","90","","90","","2621.4","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C26 H16 Fe2 O8 S2 -","- C26 H16 Fe2 O8 S2 -","- C104 H64 Fe8 O32 S8 -","4","0.5","","Zhong, Wei; Wu, Li; Jiang, Weidong; Li, Yulong; Mookan, Natarajan; Liu, Xiaoming","Proton-coupled electron transfer in the reduction of diiron hexacarbonyl complexes and its enhancement on the electrocatalytic reduction of protons by a pendant basic group.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13711","13718","10.1039/c9dt02058f","","","0.71073","MoKα","","0.073","0.0452","","","0.0935","0.1058","","","","","","1.092","","","","has coordinates","224479","2020-10-21","18:00:00",""
"7700983","14.388","0.0003","8.818","0.0001","16.9008","0.0003","90","","90","","90","","2144.26","0.06","292","3","292","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H31 B2 Co F8 N5 -","- C14 H31 B2 Co F8 N5 -","- C56 H124 B8 Co4 F32 N20 -","4","0.5","","Puthiyaveetil Yoosaf, Mohammed Ajmal; Ghosh, Somnath; Narayan, Yatheesh; Yadav, Munendra; Sahoo, Subash Chandra; Kumar, Pankaj","Finding a new pathway for acid-induced nitrite reduction reaction: formation of nitric oxide with hydrogen peroxide.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13916","13920","10.1039/c9dt02834j","","x-ray","0.71073","MoKα","","0.0344","0.0322","","","0.082","0.0833","","","","","","1.047","","","","has coordinates,has disorder","223847","2020-10-21","18:00:00",""
"7701009","11.5812","0.0005","6.8946","0.0003","23.2291","0.0009","90","","90","","90","","1854.79","0.13","120","","120","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C16 H17 Cl F3 N3 O2 Pt S -","- C16 H17 Cl F3 N3 O2 Pt S -","- C64 H68 Cl4 F12 N12 O8 Pt4 S4 -","4","0.5","","Puttock, Emma V.; Fradgley, Jack D.; Yufit, Dmitry S.; Williams, J. A. Gareth","A family of readily synthesised phosphorescent platinum(ii) complexes based on tridentate N^N^O-coordinating Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15012","15028","10.1039/c9dt03156a","","x-ray","0.71073","MoKα","","0.026","0.0212","","","0.037","0.0384","","","","","","1.188","","","","has coordinates,has disorder","224250","2020-10-21","18:00:00",""
"7701110","21.48","0.019","7.668","0.005","13.332","0.007","90","","90","","90","","2196","3","230","2","230","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H15 Bi2 Cl9 N6 -","- C3 H15 Bi2 Cl9 N6 -","- C12 H60 Bi8 Cl36 N24 -","4","0.5","","Mencel, K.; Starynowicz, P.; Siczek, M.; Piecha-Bisiorek, A; Jakubas, R.; Medycki, W.","Symmetry breaking structural phase transitions, dielectric properties and molecular motions of formamidinium cations in 1D and 2D hybrid compounds: (NH<sub>2</sub>CHNH<sub>2</sub>)<sub>3</sub>[Bi<sub>2</sub>Cl<sub>9</sub>] and (NH<sub>2</sub>CHNH<sub>2</sub>)<sub>3</sub>[Bi<sub>2</sub>Br<sub>9</sub>].","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14829","14838","10.1039/c9dt02916h","","","0.71073","MoKα","","0.0881","0.0477","","","0.1087","0.1203","","","","","","0.884","","","","has coordinates,has disorder","224042","2020-10-21","18:00:00",""
"7701363","23.669","0.002","26.279","0.002","10.8841","0.001","90","","90","","90","","6769.9","1","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C65 H61 Cl5 Mn N9 O12 -","- C65 H61 Cl5 Mn N9 O12 -","- C260 H244 Cl20 Mn4 N36 O48 -","4","0.5","","Lippi, Martina; Cametti, Massimo; Marti-Rujas, Javier","Ab Initio Powder X-Ray Diffraction Structural Analysis of Bispidine Based 1D Coordination Polymer: Insight into their Guest Responsive Behaviour.","Dalton Transactions","2019","","","","","10.1039/C9DT03765A","","","1.54178","CuKα","","0.0855","0.0786","","","0.2417","0.252","","","","","","1.07","","","","has coordinates","219346","2020-10-21","18:00:00",""
"7701364","23.6584","0.0019","26.203","0.002","10.5621","0.0007","90","","90","","90","","6547.7","0.8","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C66 H70 Cl5 Mn N8 O10 -","- C66 H70 Cl5 Mn N8 O10 -","- C264 H280 Cl20 Mn4 N32 O40 -","4","0.5","","Lippi, Martina; Cametti, Massimo; Marti-Rujas, Javier","Ab Initio Powder X-Ray Diffraction Structural Analysis of Bispidine Based 1D Coordination Polymer: Insight into their Guest Responsive Behaviour.","Dalton Transactions","2019","","","","","10.1039/C9DT03765A","","","1.54178","CuKα","","0.1415","0.0991","","","0.2955","0.326","","","","","","1.04","","","","has coordinates","219346","2020-10-21","18:00:00",""
"7701472","19.4234","0.0008","14.5749","0.0007","16.5414","0.0007","90","","90","","90","","4682.8","0.4","100","2","100","","","","","","","","","7","P n m a","-P 2ac 2n","62","","complex_C","","- C51 H45 Cl3 N3 O2 P2 Ru -","- C51 H45 Cl3 N3 O2 P2 Ru -","- C204 H180 Cl12 N12 O8 P8 Ru4 -","4","0.5","","Maji, Milan; Kundu, Sabuj","Cooperative Ruthenium Complex Catalyzed Multicomponent Synthesis of Pyrimidines","Dalton Transactions","2019","","","","","10.1039/C9DT04040D","","","0.71073","MoKα","","0.0688","0.0501","","","0.09","0.0984","","","","","","1.168","","","","has coordinates,has disorder","223274","2020-10-21","18:00:00",""
"7701853","17.6129","0.0006","20.4536","0.0005","20.3947","0.0007","90","","90","","90","","7347.1","0.4","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C25 H57 Mo18 N8 O59 Sb3 -","- C25 H52 Mo18 N8 O59 Sb3 -","- C100 H208 Mo72 N32 O236 Sb12 -","4","0.5","","yu, fang; Xu, Li","Highly efficient MoIV3•••SbIII cluster frustrated Lewis pair hydrogenation","Dalton Transactions","2019","","","","","10.1039/C9DT04138A","","","0.71073","MoKα","","0.0712","0.0441","","","0.0888","0.0986","","","","","","1.265","","","","has coordinates","225383","2020-10-21","18:00:00",""
"7701979","29.6331","0.0016","17.9626","0.0009","12.3339","0.0007","90","","90","","90","","6565.2","0.6","286","2","286.23","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H50 N7 O40 P W11 Zn -","- C34 H50 N7 O40 P W11 Zn -","- C136 H200 N28 O160 P4 W44 Zn4 -","4","0.5","","Li, Li; Zou, Yong-Cun; Hua, Yang; Li, Xiao-Nan; Wang, Zhi-Hui; Zhang, Hong","Polyoxometalate-viologen photochromic hybrids for rapid solar ultraviolet light detection, photoluminescence-based UV probing and inkless and erasable printing.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","89","94","10.1039/c9dt04116h","","","0.71073","MoKα","","0.092","0.0474","","","0.0985","0.1189","","","","","","1.023","","","","has coordinates,has disorder","247700","2020-10-21","18:00:00",""
"7702008","24.2049","0.0007","24.8897","0.0008","14.9855","0.0005","90","","90","","90","","9028.1","0.5","296","2","296.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35.5 H42 Cl3 N8 O18.5 Zn2 -","- C35.5 H42 Cl3 N8 O18.5 Zn2 -","- C284 H336 Cl24 N64 O148 Zn16 -","8","1","","Bodman, Samantha E.; Fitchett, Christopher M.","Conformational control of the self-assembly of triple helicates and [2 ×2]-grids from zinc(II) and 3,6-di(2-pyridyl)pyridazine based ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12606","12613","10.1039/c4dt01416b","","","0.71073","MoKα","","0.0653","0.0426","","","0.1074","0.1209","","","","","","1.041","","","","has coordinates,has disorder","232785","2020-10-21","18:00:00",""
"7702105","19.407","0.009","12.502","0.006","7.084","0.003","90","","90","","90","","1718.8","1.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H18 Cl4 Nb S2 -","- C12 H18 Cl4 Nb S2 -","- C48 H72 Cl16 Nb4 S8 -","4","0.5","","Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian","Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16262","16274","10.1039/c6dt02979e","","","0.71073","MoKα","","0.0486","0.0328","","","0.0681","0.0738","","","","","","1.03","","","","has coordinates","234753","2020-10-21","18:00:00",""
"7702108","9.3739","0.0019","7.5698","0.0015","15.028","0.003","90","","90","","90","","1066.4","0.4","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","[PBr4][IBr2]","","- Br6 I P -","- Br6 I P -","- Br24 I4 P4 -","4","0.5","","Hausmann, David; Köppe, Ralf; Wolf, Silke; Roesky, Peter W.; Feldmann, Claus","Ionic-liquid-assisted synthesis of the phosphorus interhalides [PBr<sub>4</sub>][IBr<sub>2</sub>] and [PBr<sub>4</sub>][I<sub>5</sub>Br<sub>7</sub>].","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16526","16532","10.1039/c6dt03303b","","","0.71073","MoKα","","0.0539","0.0469","","","0.1317","0.1373","","","","","","1.128","","","","has coordinates","234756","2020-10-21","18:00:00",""
"7702141","16.276","0.003","18.779","0.003","14.043","0.003","90","","90","","90","","4292.2","1.4","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H54 Fe Ho3 N12 O9 -","- C30 H54 Fe Ho3 N12 O9 -","- C120 H216 Fe4 Ho12 N48 O36 -","4","0.5","","Escobedo-Cruz, Francisco V; Hughbanks, Timothy","New coordination networks containing trinuclear lanthanide complexes and hexacyanometallates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6831","6841","10.1039/c7dt02541f","","x-ray","0.71073","MoKα","","0.0269","0.0234","","","0.0529","0.0545","","","","","","1.077","","","","has coordinates","235651","2020-10-21","18:00:00",""
"7702142","24.591","0.009","12.863","0.005","16.091","0.006","90","","90","","90","","5090","3","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H56 Co Er3 N12 O10 -","- C30 H56 Co Er3 N12 O10 -","- C120 H224 Co4 Er12 N48 O40 -","4","0.5","","Escobedo-Cruz, Francisco V; Hughbanks, Timothy","New coordination networks containing trinuclear lanthanide complexes and hexacyanometallates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6831","6841","10.1039/c7dt02541f","","x-ray","0.71073","MoKα","","0.0414","0.0301","","","0.067","0.071","","","","","","1.061","","","","has coordinates","235651","2020-10-21","18:00:00",""
"7702143","16.239","0.004","18.833","0.004","14.043","0.003","90","","90","","90","","4294.8","1.7","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H54 Er3 Fe N12 O9 -","- C30 H54 Er3 Fe N12 O9 -","- C120 H216 Er12 Fe4 N48 O36 -","4","0.5","","Escobedo-Cruz, Francisco V; Hughbanks, Timothy","New coordination networks containing trinuclear lanthanide complexes and hexacyanometallates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6831","6841","10.1039/c7dt02541f","","x-ray","0.71073","MoKα","","0.0335","0.0261","","","0.0545","0.0575","","","","","","1.031","","","","has coordinates","235651","2020-10-21","18:00:00",""
"7702144","24.568","0.014","12.893","0.007","16.127","0.009","90","","90","","90","","5108","5","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H56 Co N12 O10 Y3 -","- C30 H56 Co N12 O10 Y3 -","- C120 H224 Co4 N48 O40 Y12 -","4","0.5","","Escobedo-Cruz, Francisco V; Hughbanks, Timothy","New coordination networks containing trinuclear lanthanide complexes and hexacyanometallates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6831","6841","10.1039/c7dt02541f","","x-ray","0.71073","MoKα","","0.0397","0.0309","","","0.0772","0.0808","","","","","","1.051","","","","has coordinates","235651","2020-10-21","18:00:00",""
"7702145","16.325","0.002","18.887","0.003","14.075","0.002","90","","90","","90","","4339.7","1.1","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H54 Dy3 Fe N12 O9 -","- C30 H54 Dy3 Fe N12 O9 -","- C120 H216 Dy12 Fe4 N48 O36 -","4","0.5","","Escobedo-Cruz, Francisco V; Hughbanks, Timothy","New coordination networks containing trinuclear lanthanide complexes and hexacyanometallates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6831","6841","10.1039/c7dt02541f","","x-ray","0.71073","MoKα","","0.0274","0.0226","","","0.0452","0.0467","","","","","","1.034","","","","has coordinates","235651","2020-10-21","18:00:00",""
"7702146","16.401","0.004","18.919","0.004","14.122","0.003","90","","90","","90","","4381.9","1.7","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H54 Fe Gd3 N12 O9 -","- C30 H54 Fe Gd3 N12 O9 -","- C120 H216 Fe4 Gd12 N48 O36 -","4","0.5","","Escobedo-Cruz, Francisco V; Hughbanks, Timothy","New coordination networks containing trinuclear lanthanide complexes and hexacyanometallates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6831","6841","10.1039/c7dt02541f","","x-ray","0.71073","MoKα","","0.0369","0.0282","","","0.0586","0.0615","","","","","","1.051","","","","has coordinates","235651","2020-10-21","18:00:00",""
"7702147","24.606","0.005","12.873","0.002","16.083","0.003","90","","90","","90","","5094.3","1.6","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H56 Co Ho3 N12 O10 -","- C30 H56 Co Ho3 N12 O10 -","- C120 H224 Co4 Ho12 N48 O40 -","4","0.5","","Escobedo-Cruz, Francisco V; Hughbanks, Timothy","New coordination networks containing trinuclear lanthanide complexes and hexacyanometallates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6831","6841","10.1039/c7dt02541f","","x-ray","0.71073","MoKα","","0.0264","0.0208","","","0.0489","0.0511","","","","","","1.045","","","","has coordinates","235651","2020-10-21","18:00:00",""
"7702150","16.359","0.003","18.917","0.003","14.106","0.002","90","","90","","90","","4365.3","1.2","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H54 Fe N12 O9 Tb3 -","- C30 H54 Fe N12 O9 Tb3 -","- C120 H216 Fe4 N48 O36 Tb12 -","4","0.5","","Escobedo-Cruz, Francisco V; Hughbanks, Timothy","New coordination networks containing trinuclear lanthanide complexes and hexacyanometallates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6831","6841","10.1039/c7dt02541f","","x-ray","0.71073","MoKα","","0.034","0.0259","","","0.0528","0.0558","","","","","","1.048","","","","has coordinates","235651","2020-10-21","18:00:00",""
"7702428","28.389","0.005","11.343","0.002","10.29","0.002","90","","90","","90","","3313.5","1","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H53 Li N6 Si3 -","- C22 H55 Li N6 Si3 -","- C88 H220 Li4 N24 Si12 -","4","0.5","","Boesveld, W. Marco; Hitchcock, Peter B.; Lappert, Michael F.","Reactions of 1,3,5-triazine with organolithium compounds containing trimethylsilyl substituents; X-ray structures of 1,3,5-triaza- and 1,3,5,7-tetraaza-heptatrienyllithium compounds †","Journal of the Chemical Society, Dalton Transactions","1999","","22","4041","","10.1039/a907375b","","","0.71073","MoKα","","0.1059","0.0605","","0.1575","0.1362","","","","1.025","1.122","1.122","","","","","has coordinates","243861","2020-10-21","18:00:00",""
"7702509","20.121","0.01","6.491","0.001","11.417","0.006","90","","90","","90","","1491.1","1.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H20 Ag N5 O3 -","- C13 H20 Ag N5 O3 -","- C52 H80 Ag4 N20 O12 -","4","0.5","","Zheng, Shao-Liang; Tong, Ming-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming","Syntheses and structures of six chain-, ladder- and grid-like co-ordination polymers constructed from μ-hexamethylenetetramine and silver salts","Journal of the Chemical Society, Dalton Transactions","2001","","5","586","","10.1039/b009068i","","","0.71073","MoKα","","0.117","0.0646","","","0.1458","0.1725","","","","","","1.075","","","","has coordinates","243886","2020-10-21","18:00:00",""
"7702669","11.96","0.002","12.15","0.002","15.71","0.003","90","","90","","90","","2282.9","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H30 N4 O4 Zn -","- C42 H38 N8 O8 Zn2 -","- C84 H76 N16 O16 Zn4 -","2","0.25","","Liu, Hong-Ke; Hu, Jun; Wang, Tian-Wei; Yu, Xiao-Lan; Liu, Jun; Kang, Beisheng","Synthesis and crystal structures of silver(i), palladium(ii), zinc(ii) and cobalt(ii) complexes of the ditoptic ligand 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene","Journal of the Chemical Society, Dalton Transactions","2001","","23","3534","","10.1039/b104833n","","","0.71073","MoKα","","0.0941","0.0756","","","0.2518","0.277","","","","","","1.023","","","","has coordinates","243941","2020-10-21","18:00:00",""
"7702840","14.409","0.003","15.947","0.003","11.737","0.002","90","","90","","90","","2696.9","0.9","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H45 Cl3 P3 Re -","- C21 H28 Cl3 P3 Re -","- C84 H112 Cl12 P12 Re4 -","4","0.5","","Baker, Robert J.; Edwards, Peter G.; Gracia-Mora, Jes??s; Ingold, Florent; Abdul Malik, K. M.","Manganese and rhenium triphosphorus macrocycle complexes and reactions with alkenes","Journal of the Chemical Society, Dalton Transactions","2002","","21","3985","","10.1039/b205754a","","","0.71073","MoKα","","0.0677","0.0641","","","0.1492","0.1508","","","","","","1.004","","","","has coordinates,has disorder","244042","2020-10-21","18:00:00",""
"7702853","12.564","0.003","21.284","0.004","10.412","0.002","90","","90","","90","","2784.3","1","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C26 H36 Al I2 N2 -","- C26 H36 Al I2 N2 -","- C104 H144 Al4 I8 N8 -","4","0.5","","Baker, Robert J.; Farley, Robert D.; Jones, Cameron; Kloth, Marc; Murphy, Damien M.","The reactivity of diazabutadienes toward low oxidation state Group 13 iodides and the synthesis of a new gallium(i) carbene analogue","Journal of the Chemical Society, Dalton Transactions","2002","","20","3844","","10.1039/b206605j","","","0.71073","MoKα","","0.0377","0.028","","","0.0606","0.0643","","","","","","1.066","","","","has coordinates","244051","2020-10-21","18:00:00",""
"7702876","15.1155","0.0009","12.4471","0.0007","12.4209","0.0009","90","","90","","90","","2336.9","0.3","213","2","213","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Molybdenum(VI) oxide 2:1 complex with 1,3-bis(1,2,4-triazol-4- yl)adamantane Hexahydrate","Molybdenum(VI) oxide 2:1 complex with 1,3-bis(1,2,4-triazol-4-yl)adamantane Hexahydrate","","- C14 H30 Mo2 N6 O12 -","- C14 H30 Mo2 N6 O12 -","- C56 H120 Mo8 N24 O48 -","4","0.5","","Lysenko, Andrey B.; Senchyk, Ganna A.; Lincke, Jörg; Lässig, Daniel; Fokin, Andrey A.; Butova, Ekaterina D.; Schreiner, Peter R.; Krautscheid, Harald; Domasevitch, Konstantin V.","Metal oxide-organic frameworks (MOOFs), a new series of coordination hybrids constructed from molybdenum(VI) oxide and bitopic 1,2,4-triazole linkers.","Dalton transactions (Cambridge, England : 2003)","2010","39","17","4223","4231","10.1039/b922732f","","","0.71073","MoKα","","0.0339","0.0251","","","0.0609","0.0632","","","","","","0.987","","","","has coordinates","244083","2020-10-21","18:00:00",""
"7702886","14.3222","0.0002","12.9169","0.0002","17.1494","0.0002","90","","90","","90","","3172.61","0.08","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H41 Cl2 Fe N9 O2 -","- C29 H41 Cl2 Fe N9 O2 -","- C116 H164 Cl8 Fe4 N36 O8 -","4","0.5","","Morin, Tyler J.; Wanniarachchi, Sarath; Gwengo, Chengeto; Makura, Vitales; Tatlock, Heidi M.; Lindeman, Sergey V.; Bennett, Brian; Long, Gary J.; Grandjean, Fernande; Gardinier, James R.","Pyrazolyl methyls prescribe the electronic properties of iron(II) tetra(pyrazolyl)lutidine chloride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","8024","8034","10.1039/c1dt10712g","","","1.54178","CuKα","","0.0393","0.0352","","","0.0775","0.079","","","","","","1.063","","","","has coordinates,has disorder","244150","2020-10-21","18:00:00",""
"7702892","21.695","0.007","12.454","0.004","7.9","0.003","90","","90","","90","","2134.5","1.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","triiodo-1,4,7,10,13-pentaoxacyclopentadecane-lanthanum(III) acetonitrile solvate","","- C12 H23 I3 La N O5 -","- C12 H23 I3 La N O5 -","- C48 H92 I12 La4 N4 O20 -","4","0.5","","Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian","Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13179","13189","10.1039/c3dt51405f","","","0.71073","MoKα","","0.0577","0.0535","","","0.1361","0.1402","","","","","","1.104","","","","has coordinates,has disorder","244416","2020-10-21","18:00:00",""
"7702897","18.946","0.007","11.146","0.004","11.901","0.005","90","","90","","90","","2513.2","1.7","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","bis(acetonitrile)aqua(1,4,7,10,13-pentaoxacyclopentadecane)lutetium(III) triiodide","","- C14 H28 I3 Lu N2 O6 -","- C14 H26 I3 Lu N2 O6 -","- C56 H104 I12 Lu4 N8 O24 -","4","0.5","","Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian","Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13179","13189","10.1039/c3dt51405f","","","0.71073","MoKα","","0.044","0.041","","","0.1038","0.1061","","","","","","1.035","","","","has coordinates","244416","2020-10-21","18:00:00",""
"7702899","15.436","0.005","11.954","0.004","14.804","0.005","90","","90","","90","","2731.7","1.6","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","diiodo(1,4,10,13-tetraoxa-7,16-diselenacyclooctadecane)lutetium(III) iodide acetonitrile solvate","","- C16 H30 I3 Lu N2 O4 Se2 -","- C16 H24 I3 Lu N2 O4 Se2 -","- C64 H96 I12 Lu4 N8 O16 Se8 -","4","0.5","","Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian","Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13179","13189","10.1039/c3dt51405f","","","0.71073","MoKα","","0.0716","0.063","","","0.1529","0.1595","","","","","","1.061","","","","has coordinates,has disorder","244416","2020-10-21","18:00:00",""
"7702902","15.29","0.001","11.9434","0.0008","14.4913","0.0008","90","","90","","90","","2646.3","0.3","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","Diiodo(1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane)scandium(III) iodide acetonitrile solvate","","- C14 H27 I3 N O4 S2 Sc -","- C14 H27 I3 N O4 S2 Sc -","- C56 H108 I12 N4 O16 S8 Sc4 -","4","0.5","","Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian","Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13179","13189","10.1039/c3dt51405f","","","0.71073","MoKα","","0.0997","0.0741","","","0.1876","0.206","","","","","","1.057","","","","has coordinates,has disorder","244416","2020-10-21","18:00:00",""
"7702904","10.4983","0.0006","30.2025","0.0016","16.589","0.0009","90","","90","","90","","5260","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H16 Cu9 N24 O27 S2 -","- C12 H16 Cu9 N24 O27 S2 -","- C48 H64 Cu36 N96 O108 S8 -","4","0.5","","Sun, Wu-Juan; Li, Lei-Lei; Liu, Xiang-Yu; Liu, Shuang; Ke, Cong-Yu; Zhang, Qun-Zheng; Zhang, Xun-Li","A 3D Cu(ii) tetrazolate coordination polymer based on pentanuclear units with a large coercive field.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","651","658","10.1039/c9dt04113c","","","0.71073","MoKα","","0.0576","0.04","","","0.0972","0.1076","","","","","","1.035","","","","has coordinates","247754","2020-10-21","18:00:00",""
"7703229","17.4379","0.0008","19.7759","0.001","10.2741","0.0005","90","","90","","90","","3543","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C37 H55 N4 Re Si -","- C37 H56 N4 Re Si -","- C148 H224 N16 Re4 Si4 -","4","0.5","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Controlling dinitrogen functionalization at rhenium through alkali metal ion pairing.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17936","17944","10.1039/c9dt04489b","","","0.7288","synchrotron","","0.0432","0.0419","","","0.1045","0.105","","","","","","1.302","","","","has coordinates,has disorder","246604","2020-10-21","18:00:00",""
"7703263","10.212","0.0002","13.0608","0.0004","8.1901","0.0002","90","","90","","90","","1092.37","0.05","150","0.1","150","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H15 F2 Sb -","- C10 H15 F2 Sb -","- C40 H60 F8 Sb4 -","4","0.5","","Coughlin, Omar; Krämer, Tobias; Benjamin, Sophie L.","Diverse structure and reactivity of pentamethylcyclopentadienyl antimony(iii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1726","1730","10.1039/d0dt00024h","","x-ray","0.71073","MoKα","","0.0321","0.0222","","","0.0406","0.0431","","","","","","1.041","","","","has coordinates,has disorder","248949","2020-10-21","18:00:00",""
"7703294","12.15","0.05","24.9","0.07","6.2","0.01","90","","90","","90","","1876","10","210","2","210","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H24 Br4 N2 Pb -","- C10 H24 Br4 N2 Pb -","- C40 H96 Br16 N8 Pb4 -","4","0.5","","Chai, Siqian; Xiong, Jianbo; Zheng, Yongshen; Shi, Rongchao; Xu, Jialiang","Dielectric phase transition of an A<sub>2</sub>BX<sub>4</sub>-type perovskite with a pentahedral to octahedral transformation.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2218","2224","10.1039/c9dt04270a","","","1.34139","GaKα","","0.1512","0.1272","","","0.3062","0.3235","","","","","","1.071","","","","has coordinates,has disorder","248968","2020-10-21","18:00:00",""
"7703296","22.4936","0.0008","23.8631","0.001","6.1802","0.0002","90","","90","","90","","3317.3","0.2","120","0.1","120","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H48 Cl8 N4 Pb2 -","- C20 H48 Cl8 N4 Pb2 -","- C80 H192 Cl32 N16 Pb8 -","4","0.5","","Chai, Siqian; Xiong, Jianbo; Zheng, Yongshen; Shi, Rongchao; Xu, Jialiang","Dielectric phase transition of an A<sub>2</sub>BX<sub>4</sub>-type perovskite with a pentahedral to octahedral transformation.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2218","2224","10.1039/c9dt04270a","","x-ray","0.71073","MoKα","","0.0323","0.0233","","","0.056","0.0586","","","","","","1.031","","","","has coordinates","248968","2020-10-21","18:00:00",""
"7703362","10.60811","0.00017","7.66072","0.00012","16.1437","0.0003","90","","90","","90","","1311.93","0.04","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cs2 Ge2 O14 U3 -","- Cs2 Ge2 O14 U3 -","- Cs8 Ge8 O56 U12 -","4","0.5","","Li, Haijian; Kegler, Philip; Alekseev, Evgeny V.","Crystal growth of novel 3D skeleton uranyl germanium complexes: influence of synthetic conditions on crystal structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2244","2257","10.1039/c9dt04750f","","","0.71073","MoKα","","0.0205","0.0186","","","0.0451","0.0457","","","","","","1.085","","","","has coordinates","248970","2020-10-21","18:00:00",""
"7703366","10.288","0.0004","7.6612","0.0002","16.1444","0.0005","90","","90","","90","","1272.48","0.07","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ge2 O14 Rb2 U3 -","- Ge2 O14 Rb2 U3 -","- Ge8 O56 Rb8 U12 -","4","0.5","","Li, Haijian; Kegler, Philip; Alekseev, Evgeny V.","Crystal growth of novel 3D skeleton uranyl germanium complexes: influence of synthetic conditions on crystal structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2244","2257","10.1039/c9dt04750f","","","0.71073","MoKα","","0.0257","0.0189","","","0.0358","0.0374","","","","","","1.015","","","","has coordinates","248970","2020-10-21","18:00:00",""
"7703407","9.181","0.0003","11.4645","0.0004","20.7463","0.0007","90","","90","","90","","2183.66","0.13","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C27 H38 Ti -","- C27 H38 Ti -","- C108 H152 Ti4 -","4","0.5","","Fischer, Malte; Vincent-Heldt, Lisa; Hillje, Malena; Schmidtmann, Marc; Beckhaus, Ruediger","Synthesis of a titanium ethylene complex via C-H-activation and alternative access to Cp<sub>2</sub>Ti(η<sup>2</sup>-Me<sub>3</sub>SiC<sub>2</sub>SiMe<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2068","2072","10.1039/d0dt00237b","","","0.71073","MoKα","","0.0626","0.0438","","","0.1112","0.1238","","","","","","1.039","","","","has coordinates,has disorder","248959","2020-10-21","18:00:00",""
"7703504","17.4039","0.001","28.4415","0.0016","8.1734","0.0004","90","","90","","90","","4045.8","0.4","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C44 H52 Co N6 O6 -","- C44 H52 Co N6 O6 -","- C176 H208 Co4 N24 O24 -","4","0.5","","Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3112","3119","10.1039/d0dt00335b","","","0.71073","MoKα","","0.0569","0.0429","","","0.1085","0.1181","","","","","","1.035","","","","has coordinates,has disorder","250271","2020-10-21","18:00:00",""
"7703597","35.3302","0.0002","6.842","0.0001","10.3388","0.0001","90","","90","","90","","2499.19","0.05","150","0.1","150","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H30 N2 O2 Pt Se -","- C26 H30 N2 O2 Pt Se -","- C104 H120 N8 O8 Pt4 Se4 -","4","0.5","","Petrenko, Alla; Leitonas, Karolis; Volyniuk, Dmytro; Baryshnikov, Gleb V.; Belyakov, Sergey; Minaev, Boris F.; Ågren, Hans; Durgaryan, Hranush; GraŽulevičius, Juozas Vidas; Arsenyan, Pavel","Benzoselenophenylpyridine platinum complexes: green versus red phosphorescence towards hybrid OLEDs.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3393","3397","10.1039/d0dt00214c","","x-ray","1.54184","CuKα","","0.0339","0.0339","","","0.0927","0.0927","","","","","","1.222","","","","has coordinates","250304","2020-10-21","18:00:00",""
"7703718","18.2568","0.0017","14.37","0.0013","26.52","0.002","90","","90","","90","","6957.5","1","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C88 H76 B Dy N10 -","- C78 H66 B Dy N8 -","- C312 H264 B4 Dy4 N32 -","4","0.5","","Long, Jérôme; Selikhov, Alexander N.; Mamontova, Ekaterina; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Single-molecule magnet behavior in luminescent carbazolyl Dy(iii) octahedral complexes with a quasi linear N<sup>-</sup>-Dy-N<sup>-</sup> angle.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4039","4043","10.1039/d0dt00072h","","","0.71073","MoKα","","0.0545","0.0439","","","0.0853","0.0904","","","","","","1.008","","","","has coordinates,has disorder","250294","2020-10-21","18:00:00",""
"7703859","21.7144","0.0007","21.179","0.0007","10.5333","0.0003","90","","90","","90","","4844.2","0.3","296","2","296.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C48 H71 Br2 Co Li N2 O4 -","- C48 H71 Br2 Co Li N2 O4 -","- C192 H284 Br8 Co4 Li4 N8 O16 -","4","0.5","","Huang, Li-Cheng; Zhang, Jing-Shun; Jia, Teng; Mu, Ying; Gao, Wei","Bis(imino)aryl NCN pincer cobalt complexes: synthesis and disproportionation.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5219","5227","10.1039/d0dt00747a","","","0.71073","MoKα","","0.0815","0.0486","","","0.1157","0.1333","","","","","","1.063","","","","has coordinates","251623","2020-10-21","18:00:00",""
"7703954","16.073","0.0004","16.52","0.0004","16.853","0.0004","90","","90","","90","","4474.91","0.19","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36.73 H43.09 Cl0.64 Co2 I1.36 N6.36 O8 -","- C36.728 H43.092 Cl0.637 Co2 I1.362 N6.364 O8 -","- C146.912 H172.368 Cl2.548 Co8 I5.448 N25.456 O32 -","4","0.5","","Anjana, S. S.; Varghese, B.; Murthy, Narasimha N.","Coligand modulated oxidative O-demethylation of a methyl ether appended tetradentate N-ligand in Co(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3187","3197","10.1039/c9dt04609g","","","0.71073","MoKα","","0.0777","0.0596","","","0.1827","0.1988","","","","","","1.08","","","","has coordinates,has disorder","250132","2020-10-21","18:00:00",""
"7703959","7.29913","0.00016","15.8333","0.0003","8.64504","0.00018","90","","90","","90","","999.1","0.04","297","","297","","","","","","","","","4","P n m a","-P 2ac 2n","62","Strontium Europium Oxide Borate","Sr3Eu2B4O12","","- B4 Eu2.001 O12 Sr3.001 -","- B4 Eu2.001 O12 Sr3.001 -","- B16 Eu8.004 O48 Sr12.004 -","4","0.5","","Li, Gui-Hua; Yang, Nian; Guo, Jian-Gang; Wang, Zheng-Liang; Cai, Ge-Mei; Wang, Xiao-Jun","Efficient and stable Sr<sub>3</sub>Eu<sub>2</sub>B<sub>4</sub>O<sub>12</sub> red phosphor benefiting from low symmetry and distorted local environment.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3260","3271","10.1039/c9dt04769g","powder diffraction","","1.5418","CuKα","","","","","","","","","6.7604","2.05","","","","","","","has coordinates","250133","2020-10-21","18:00:00",""
"7704272","19.2163","0.0003","12.0734","0.0002","12.3104","0.0002","90","","90","","90","","2856.09","0.08","120","","120","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C25 H34 Br F6 N2 Ni O P -","- C25 H34 Br F6 N2 Ni O P -","- C100 H136 Br4 F24 N8 Ni4 O4 P4 -","4","0.5","","Shvydkiy, Nikita V.; Dlin, Egor A.; Ivanov, Klimentiy V.; Buyanovskaya, Anastasiya G.; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Synthesis and reactivity of cyclobutadiene nickel bromide.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6801","6806","10.1039/d0dt01510e","","","1.54178","CuKα","","0.0395","0.0346","","","0.0885","0.0919","","","","","","1.058","","","","has coordinates","252782","2020-10-21","18:00:00",""
"7704618","11.1587","0.0005","22.0003","0.001","17.5957","0.0007","90","","90","","90","","4319.7","0.3","120","0.1","120","0.1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H28.07 Br0.27 Cl1.69 Cu2 N6 O6.93 -","- C14 H28.071 Br0.2715 Cl1.693 Cu2 N6 O6.929 -","- C112 H224.568 Br2.172 Cl13.544 Cu16 N48 O55.432 -","8","1","","Lopera, Alberto; Gil-Martínez, Ariadna; Pitarch-Jarque, Javier; Verdejo, Begoña; Blasco, Salvador; Clares, M. Paz; Jiménez, Hermas R; García-España, Enrique","Influence of the chain length and metal : ligand ratio on the self-organization processes of Cu<sup>2+</sup> complexes of [1 + 1] 1H-pyrazole azamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8614","8624","10.1039/d0dt01056a","","","0.71073","MoKα","","0.0637","0.0426","","","0.0973","0.1093","","","","","","1.034","","","","has coordinates,has disorder","253904","2020-10-21","18:00:00",""
"7704679","18.4493","0.0002","21.2072","0.0002","10.7787","0.0003","90","","90","","90","","4217.25","0.13","180","","180","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C48 H52 Fe P4 Si -","- C48 H52 Fe P4 Si -","- C192 H208 Fe4 P16 Si4 -","4","0.5","","Chang, Guoliang; Zhang, Peng; Yang, Wenjing; Xie, Shangqing; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Pyridine N-oxide promoted hydrosilylation of carbonyl compounds catalyzed by [PSiP]-pincer iron hydrides.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9349","9354","10.1039/d0dt00392a","","","1.34143","GaKα","","0.0326","0.0282","","","0.0764","0.0789","","","","","","1.049","","","","has coordinates,has disorder","254970","2020-10-21","18:00:00",""
"7704687","12.6673","0.0004","13.6362","0.0004","17.3873","0.0005","90","","90","","90","","3003.38","0.16","102","2","102","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H46 Cl N4 Os P2 -","- C28 H46 Cl N4 Os P2 -","- C112 H184 Cl4 N16 Os4 P8 -","4","0.5","","Ramler, Jacqueline; Radacki, Krzysztof; Abbenseth, Josh; Lichtenberg, Crispin","Combined experimental and theoretical studies towards mutual osmium-bismuth donor/acceptor bonding.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9024","9034","10.1039/d0dt01663b","","","0.71073","MoKα","","0.0369","0.024","","","0.0395","0.0423","","","","","","1.039","","","","has coordinates","254992","2020-10-21","18:00:00",""
"7704857","24.2727","0.0009","35.951","0.0013","7.6427","0.0003","90","","90","","90","","6669.2","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C50 H43 Mo2 N5 O16 -","- C50 H32 Mo2 N5 O16 -","- C200 H128 Mo8 N20 O64 -","4","0.5","","Xia, Zhinan; Li, Fengyan; Xu, Lin; Feng, Pingyun","A stable and highly selective metalloporphyrin based framework for the catalytic oxidation of cyclohexene.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11157","11162","10.1039/d0dt01420f","","","0.71073","MoKα","","0.0867","0.0778","","","0.1952","0.2016","","","","","","1.014","","","","has coordinates","256064","2020-10-21","18:00:00",""
"7705013","27.474","0.001","29.3018","0.001","10.854","0.0004","90","","90","","90","","8737.9","0.5","100","2","100","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C32 H40.5 F3 N0.5 O2 P0.5 Pt0.5 S2 -","- C32 H40.5 F3 N0.5 O2 P0.5 Pt0.5 S2 -","- C256 H324 F24 N4 O16 P4 Pt4 S16 -","8","1","","Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A.","A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9735","9742","10.1039/d0dt02237c","","","0.71073","MoKα","","0.0736","0.0512","","","0.1382","0.1498","","","","","","1.039","","","","has coordinates,has disorder","254791","2020-10-21","18:00:00",""
"7705125","11.2609","0.0004","6.7138","0.0003","25.8248","0.0008","90","","90","","90","","1952.44","0.13","100.02","0.1","100.02","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H26.42 N2 O2.21 -","- C24 H26.422 N2 O2.211 -","- C96 H105.688 N8 O8.844 -","4","0.5","","Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.","Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12009","12017","10.1039/d0dt02437f","","","1.54184","CuKα","","0.053","0.0416","","","0.1078","0.1172","","","","","","1.048","","","","has coordinates","256110","2020-10-21","18:00:00",""
"7705172","25.685","0.002","3.4697","0.0003","5.4404","0.0004","90","","90","","90","","484.84","0.07","297","2","297","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- B4 Ca2 F2 I0 Li6 O10 -","- B4 Ca2 F2 Li6 O10 -","- B8 Ca4 F4 Li12 O20 -","2","0.25","","Ding, Mengmeng; Xu, JingJing; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Li<sub>3</sub>CaB<sub>2</sub>O<sub>5</sub>F: a unique sandwich-like structure with diverse and wide Li ion diffusion pathways.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12184","12188","10.1039/d0dt02423f","","","0.71073","MoKα","","0.0362","0.0302","","","0.1009","0.1104","","","","","","0.906","","","","has coordinates","257567","2020-10-21","18:00:00",""
"7705418","8.54524","0.00004","4.74622","0.00002","11.60133","0.00006","90","","90","","90","","470.522","0.004","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C Ba I N O -","- C Ba I N O -","- C4 Ba4 I4 N4 O4 -","4","0.5","","Siai, Amira; Hämmerle, Luzian; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Structure, polymorphism and luminescence of cyanate iodides MI(OCN) (M = Ba, Eu, and Sr).","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14133","14139","10.1039/d0dt02126a","powder diffraction","","1.5406","CuKalpha1","","","","","","","","","1.2922","1.0586","","","","","","","has coordinates","258846","2020-11-06","12:17:25",""
"7705591","28.136","0.002","17.1992","0.0013","7.4871","0.0006","90","","90","","90","","3623.1","0.5","100","","100","","","","","","","","see text","9","P n m a","-P 2ac 2n","62","","","","- C34 H30 Ag Cl3 F0 N8 Ni O S -","- C34 H30 Ag Cl3 N8 Ni O S -","- C136 H120 Ag4 Cl12 N32 Ni4 O4 S4 -","4","0.5","","Bernd, Marco A.; Bauer, Elisabeth B.; Oberkofler, Jens; Bauer, Andreas; Reich, Robert M.; Kühn, Fritz E","Macrocyclic NHC complexes of group 10 elements with enlarged aromaticity for biological studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14106","14114","10.1039/d0dt02598d","","x-ray","0.71073","MoKα","","0.0449","0.0382","","","0.0804","0.0831","","","","","","1.086","","","","has coordinates","258850","2020-11-06","12:18:07",""
"7705600","8.787","0.0017","16.25","0.004","41.341","0.007","90","","90","","90","","5903","2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","4-Methyl-7-(2-pyrazinyl)-2<i>H</i>-3<i>H</i>-7<i>H</i>[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]-triazolium tetrachlorozincate","","- C16 H18 Cl8 N14 Zn2 -","- C16 H18 Cl8 N14 Zn2 -","- C128 H144 Cl64 N112 Zn16 -","8","1","","Parisi, Emmanuele; Capasso, Domenica; Capobianco, Amedeo; Peluso, Andrea; Di Gaetano, Sonia; Fusco, Sandra; Manfredi, Carla; Mozzillo, Rosaria; Pinto, Gabriella; Centore, Roberto","Tautomeric and conformational switching in a new versatile N-rich heterocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14452","14462","10.1039/d0dt02572k","","x-ray","0.71073","MoKα","","0.0928","0.0686","","","0.1662","0.1768","","","","","","1.161","","","","has coordinates,has disorder","258791","2020-11-06","11:58:21",""
"7705658","16.2539","0.0001","17.7182","0.0002","10.1694","0.0001","90","","90","","90","","2928.68","0.05","100","0.1","100","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H42 Cl2 N2 Pt S -","- C29 H42 Cl2 N2 Pt S -","- C116 H168 Cl8 N8 Pt4 S4 -","4","0.5","","Maliszewski, Benon P.; Tzouras, Nikolaos V.; Guillet, Sébastien G; Saab, Marina; Beliš, Marek; Van Hecke, Kristof; Nahra, Fady; Nolan, Steven P.","A general protocol for the synthesis of Pt-NHC (NHC = N-heterocyclic carbene) hydrosilylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14673","14679","10.1039/d0dt03480k","","x-ray","0.71073","MoKα","","0.0602","0.0495","","","0.0981","0.1043","","","","","","1.034","","","","has coordinates","258787","2020-11-06","11:57:14",""
"7705727","18.3316","0.001","32.7986","0.0014","8.1963","0.0003","90","","90","","90","","4928","0.4","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H24 Bi2 I14 N4 -","- C20 H24 Bi2 I14 N4 -","- C80 H96 Bi8 I56 N16 -","4","0.5","","Möbs, Jakob; Gerhard, Marina; Heine, Johanna","(HPy)<sub>2</sub>(Py)CuBi<sub>3</sub>I<sub>12</sub>, a low bandgap metal halide photoconductor.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14397","14400","10.1039/d0dt03427d","","x-ray","0.71073","MoKα","","0.1027","0.0714","","","0.224","0.2374","","","","","","1.072","","","","has coordinates,has disorder","258731","2020-11-04","20:00:40",""
"7705730","14.6088","0.0006","23.6348","0.0009","9.9053","0.0004","90","","90","","90","","3420.1","0.2","100","","100.01","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H18 Bi2 I9 N3 -","- C15 H18 Bi2 I9 N3 -","- C60 H72 Bi8 I36 N12 -","4","0.5","","Möbs, Jakob; Gerhard, Marina; Heine, Johanna","(HPy)<sub>2</sub>(Py)CuBi<sub>3</sub>I<sub>12</sub>, a low bandgap metal halide photoconductor.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14397","14400","10.1039/d0dt03427d","","","0.71073","MoKα","","0.0535","0.032","","","0.043","0.0468","","","","","","1.073","","","","has coordinates,has disorder","258731","2020-11-04","20:00:42",""
"7705799","17.3542","0.0006","9.9387","0.0004","11.2606","0.0004","90","","90","","90","","1942.21","0.12","296","","296","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H10 F7 N9 O2 Ti Zn3 -","- C6 H10 F7 N9 O2 Ti Zn3 -","- C24 H40 F28 N36 O8 Ti4 Zn12 -","4","0.5","","Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M.","Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH).","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17758","17771","10.1039/d0dt03391j","powder diffraction","","1.54175","CuKα","","","","","","","","","5.8382","4.4589","","","","","","","has coordinates","260763","2021-01-07","06:23:25",""
"7705800","17.02","0.011","10.292","0.007","11.213","0.007","90","","90","","90","","1964","2","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H16 F7 N9 O3 Ti Zn3 -","- C8 H10 F7 N9 O3 Ti Zn3 -","- C32 H40 F28 N36 O12 Ti4 Zn12 -","4","0.5","","Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M.","Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH).","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17758","17771","10.1039/d0dt03391j","","","0.71073","MoKα","","0.0643","0.0394","","","0.1016","0.1131","","","","","","1.114","","","","has coordinates","260763","2021-01-07","06:23:25",""
"7705801","17.5556","0.0014","10.091","0.0007","9.9786","0.0007","90","","90","","90","","1767.7","0.2","405","","405","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H6 F7 N9 Ti Zn3 -","- C6 H6 F7 N9 Ti Zn3 -","- C24 H24 F28 N36 Ti4 Zn12 -","4","0.5","","Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M.","Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH).","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17758","17771","10.1039/d0dt03391j","powder diffraction","","1.54175","CuKα","","","","","","","","","7.9544","1.5958","","","","","","","has coordinates","260763","2021-01-07","06:23:25",""
"7705810","12.7351","0.0004","29.6484","0.001","17.6754","0.0005","90","","90","","90","","6673.8","0.4","120","","120","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C72 H49 Cl4 N15 P2 Pt -","- C72 H49 Cl4 N15 P2 Pt -","- C288 H196 Cl16 N60 P8 Pt4 -","4","0.5","","Kuzniak-Glanowska, Emilia; Glosz, Dorota; Niedzielski, Grzegorz; Kobylarczyk, Jedrzej; Srebro-Hooper, Monika; Hooper, James G. M.; Podgajny, Robert","Binding of anionic Pt(ii) complexes in a dedicated organic matrix: towards new binary crystalline composites.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","170","185","10.1039/d0dt03535a","","","0.71073","MoKα","","0.0341","0.024","","","0.047","0.0502","","","","","","1.031","","","","has coordinates,has disorder","261643","2021-02-04","23:09:00",""
"7705811","12.8291","0.0006","30.0209","0.0015","17.6145","0.0009","90","","90","","90","","6784.1","0.6","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C72 H49 Br4 N15 P2 Pt -","- C72 H49 Br4 N15 P2 Pt -","- C288 H196 Br16 N60 P8 Pt4 -","4","0.5","","Kuzniak-Glanowska, Emilia; Glosz, Dorota; Niedzielski, Grzegorz; Kobylarczyk, Jedrzej; Srebro-Hooper, Monika; Hooper, James G. M.; Podgajny, Robert","Binding of anionic Pt(ii) complexes in a dedicated organic matrix: towards new binary crystalline composites.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","170","185","10.1039/d0dt03535a","","","0.71073","MoKα","","0.0701","0.0462","","","0.1093","0.1205","","","","","","1.057","","","","has coordinates,has disorder","261643","2021-02-04","23:09:00",""
"7706118","18.554","0.0005","19.0734","0.0006","8.1713","0.0002","90","","90","","90","","2891.72","0.14","135","2","135","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H42 B F4 N2 P -","- C29 H42 B F4 N2 P -","- C116 H168 B4 F16 N8 P4 -","4","0.5","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.0592","0.043","","","0.11","0.1223","","","","","","1.049","","","","has coordinates","259993","2020-12-19","03:23:30",""
"7706596","7.2574","0.0004","11.2605","0.0006","7.153","0.0004","90","","90","","90","","584.56","0.06","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C3 N3 O3 P -","- C3 N3 O3 P -","- C12 N12 O12 P4 -","4","0.5","","Hu, Dandan; Lu, Bo; Song, Chao; Zhu, Bifeng; Wang, Lina; Bernhardt, Eduard; Zeng, Xiaoqing","Synthesis and characterization of phosphorous(III) diisocyanate and triisocyanate.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3299","3307","10.1039/d1dt00261a","","","0.71073","MoKα","","0.0287","0.0265","","","0.0716","0.0736","","","","","","1.107","","","","has coordinates","263758","2021-04-05","14:48:48",""
"7706597","7.2241","0.0017","12.227","0.003","6.3593","0.001","90","","90","","90","","561.7","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 Cl N2 O2 P -","- C2 Cl N2 O2 P -","- C8 Cl4 N8 O8 P4 -","4","0.5","","Hu, Dandan; Lu, Bo; Song, Chao; Zhu, Bifeng; Wang, Lina; Bernhardt, Eduard; Zeng, Xiaoqing","Synthesis and characterization of phosphorous(III) diisocyanate and triisocyanate.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3299","3307","10.1039/d1dt00261a","","","0.71073","MoKα","","0.0412","0.0329","","","0.085","0.0894","","","","","","1.057","","","","has coordinates","263758","2021-04-05","14:48:57",""
"7706647","13.042","0.0012","9.8661","0.001","7.3139","0.0007","90","","90","","90","","941.11","0.16","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C3 H11 B8 Cl -","- C3 H11 B8 Cl -","- C12 H44 B32 Cl4 -","4","0.5","","Bakardjiev, Mario; Holub, Josef; R°užičková, Zdeňka; R°užička, Aleš; Fanfrlík, Jindřich; Štíbr, Bohumil; McKee, Michael L.; Hnyk, Drahomír","Transformation of various multicenter bondings within bicapped-square antiprismatic motifs: <i>Z</i>-rearrangement.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12098","12106","10.1039/d0dt04225k","","","0.71073","MoKα","","0.0498","0.0396","","","0.0968","0.1015","","","","","","1.099","","","","has coordinates,has disorder","269731","2021-10-06","15:43:02",""
"7706763","12.2795","0.0002","12.7576","0.0003","7.6118","0.0002","90","","90","","90","","1192.44","0.05","100","0.1","100","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","[MoOCl3(MeS(CH3)2SMe)]","","- C5 H12 Cl3 Mo O S2 -","- C5 H12 Cl3 Mo O S2 -","- C20 H48 Cl12 Mo4 O4 S8 -","4","0.5","","Smith, Danielle E.; Levason, William; Powell, James; Reid, Gillian","Synthesis, properties and structural features of molybdenum(v) oxide trichloride complexes with neutral chalcogenoether ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4380","4389","10.1039/d1dt00038a","","x-ray","0.71073","MoKα","","0.0357","0.029","","","0.058","0.0605","","","","","","1.074","","","","has coordinates","263786","2021-04-05","14:57:45",""
"7706765","12.261","0.0002","12.7705","0.0002","7.6085","0.0001","90","","90","","90","","1191.33","0.03","99.98","0.18","99.98","0.18","","","","","","","","6","P n m a","-P 2ac 2n","62","","[MoOCl3(MeS(CH2)3SMe)]","","- C5 H12 Cl3 Mo O S2 -","- C5 H12 Cl3 Mo O S2 -","- C20 H48 Cl12 Mo4 O4 S8 -","4","0.5","","Smith, Danielle E.; Levason, William; Powell, James; Reid, Gillian","Synthesis, properties and structural features of molybdenum(v) oxide trichloride complexes with neutral chalcogenoether ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4380","4389","10.1039/d1dt00038a","","x-ray","0.71073","MoKα","","0.0194","0.0187","","","0.0424","0.0428","","","","","","1.106","","","","has coordinates","263786","2021-04-05","14:57:45",""
"7707302","21.9278","0.0009","16.6105","0.0008","10.6008","0.0006","90","","90","","90","","3861.1","0.3","173","0.14","173","0.14","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H49 Al Fe N2 O4 -","- C40 H48.844 Al Fe N2 O4 -","- C160 H195.376 Al4 Fe4 N8 O16 -","4","0.5","","Kong, Richard Y.; Crimmin, Mark R.","1<sup>st</sup> row transition metal aluminylene complexes: preparation, properties and bonding analysis.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7810","7817","10.1039/d1dt01415c","","x-ray","0.71073","MoKα","","0.075","0.045","","","0.1097","0.131","","","","","","1.091","","","","has coordinates,has disorder","267153","2021-07-05","17:32:58",""
"7707391","19.0304","0.0002","24.9486","0.0003","22.2887","0.0002","90","","90","","90","","10582.3","0.19","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C50 H56 B Dy F18 O6.5 -","- C50 H56 B Dy F18 O6.5 -","- C400 H448 B8 Dy8 F144 O52 -","8","1","","Long, Jérôme; Tolpygin, Aleksei O.; Lyubov, Dmitry M.; Rad'kova, Natalia Yu; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","High magnetization reversal barriers in luminescent dysprosium octahedral and pentagonal bipyramidal single-molecule magnets based on fluorinated alkoxide ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8487","8496","10.1039/d1dt01319j","","","0.71073","MoKα","","0.0707","0.0438","","","0.0987","0.1036","","","","","","1.01","","","","has coordinates,has disorder","267142","2021-07-05","17:28:25",""
"7707760","13.1174","0.0016","7.5074","0.0009","15.2749","0.0019","90","","90","","90","","1504.2","0.3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H20 B9 Co -","- C11 H18 B9 Co -","- C44 H72 B36 Co4 -","4","0.5","","Chan, Tek Long; Lu, Zhenpin; Xie, Zuowei","Synthesis and structure of metallacarboranes bearing carborane-fused cyclopentenyl and dicarbollyl-fused cyclopentene ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10615","10620","10.1039/d1dt01592c","","","0.71073","MoKα","","0.0857","0.0704","","","0.1811","0.189","","","","","","1.201","","","","has coordinates","268782","2021-09-06","11:18:56",""
"7707923","7.4445","0.0003","8.2726","0.0005","13.7915","0.0007","90","","90","","90","","849.35","0.08","100","2","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H3 I N3 O3 Rb -","- C3 H3 I N3 O3 Rb -","- C12 H12 I4 N12 O12 Rb4 -","4","0.5","","Wang, Jinhui; Zhang, Xinyuan; Liang, Fei; Hu, Zhanggui; Wu, Yicheng","Co-crystal AX·(H<sub>3</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>) (A = Na, Rb, Cs; X = Br, I): a series of strongly anisotropic alkali halide cyanurates with a planar structural motif and large birefringence.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11555","11561","10.1039/d1dt02217b","","","0.71073","MoKα","","0.0629","0.0362","","","0.0624","0.0713","","","","","","1.047","","","","has coordinates","268747","2021-09-06","11:07:25",""
"7708031","12.436","0.003","9.889","0.002","8.9564","0.0019","90","","90","","90","","1101.5","0.4","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba3 Se5 Si -","- Ba3 Se5 Si -","- Ba12 Se20 Si4 -","4","0.5","","Cheng, Huanhuan; Tudi, Abudukadi; Wang, Peng; Zhang, Kewang; Yang, Zhihua; Pan, Shilie","Design and synthesis of Ba<sub>3</sub>SiSe<sub>5</sub> with suitable birefringence modulated via M<sup>IV</sup> atoms in the Ba-M<sup>IV</sup>-Q (M<sup>IV</sup> = Si, Ge; Q = S, Se) system.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11999","12005","10.1039/d1dt01747k","","","0.71073","MoKα","","0.044","0.0375","","","0.089","0.0924","","","","","","1.087","","","","has coordinates","268809","2021-09-06","11:29:22",""
"7708330","15.4877","0.0005","13.3252","0.0004","18.3914","0.0007","90","","90","","90","","3795.6","0.2","296.15","","296.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H26 Cu3 I5 N4 S2 -","- C36 H26 Cu3 I5 N4 S2 -","- C144 H104 Cu12 I20 N16 S8 -","4","0.5","","Li, Meng-Hua; You, Ming-Hua; Lin, Mei-Jin","Encapsulating third donors into D‒A hybrid heterostructures to form three-component charge-transfer complexes for enhanced electrical properties","Dalton Transactions","2021","","","","","10.1039/D1DT02230J","","","0.71073","MoKα","","0.0505","0.0346","","","0.0536","0.0599","","","","","","1.065","","","","has coordinates","269198","2021-09-17","23:08:27",""
"7708331","15.4744","0.0007","13.3303","0.0005","17.5587","0.0008","90","","90","","90","","3622","0.3","296.15","","296.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C32 H24 Cu3 I5 N4 S2 -","- C32 H24 Cu3 I5 N4 S2 -","- C128 H96 Cu12 I20 N16 S8 -","4","0.5","","Li, Meng-Hua; You, Ming-Hua; Lin, Mei-Jin","Encapsulating third donors into D‒A hybrid heterostructures to form three-component charge-transfer complexes for enhanced electrical properties","Dalton Transactions","2021","","","","","10.1039/D1DT02230J","","","0.71073","MoKα","","0.0781","0.0682","","","0.1555","0.1632","","","","","","1.075","","","","has coordinates","269198","2021-09-17","23:08:27",""
"7708353","16.8079","0.0004","20.4351","0.0004","11.637","0.0003","90","","90","","90","","3996.97","0.16","123.01","0.1","123.01","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C43 H63 Co Mg N2 P2 -","- C43 H63 Co Mg N2 P2 -","- C172 H252 Co4 Mg4 N8 P8 -","4","0.5","","Kelly, John A.; Gramüller, Johannes; Gschwind, Ruth M.; Wolf, Robert","Low-oxidation state cobalt‒magnesium complexes: ion-pairing and reactivity","Dalton Transactions","2021","","","","","10.1039/D1DT02621F","","x-ray","1.54184","CuKα","","0.0577","0.0558","","","0.1371","0.1384","","","","","","1.1","","","","has coordinates","269222","2021-09-20","22:59:13",""
"7708790","13.4739","0.0003","14.791","0.0003","11.65","0.0003","90","","90","","90","","2321.76","0.09","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H32 B12 Br2 S2 -","- C13 H32 B12 Br2 S2 -","- C52 H128 B48 Br8 S8 -","4","0.5","","Zhong, Minling; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei","Diboration of Alkenes and Alkynes with a Carborane-Fused Four-Membered Boracycle Bearing an Electron-Precise B-B Bond","Dalton Transactions","2021","","","","","10.1039/D1DT03665C","","","0.71073","MoKα","","0.0261","0.0239","","","0.0597","0.0613","","","","","","1.054","","","","has coordinates","270590","2021-11-11","00:06:17",""
"7708799","6.17","0.0003","10.8301","0.0006","16.8422","0.0009","90","","90","","90","","1125.42","0.1","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H2 Ag N5 O3 -","- C9 H2 Ag N5 O3 -","- C36 H8 Ag4 N20 O12 -","4","0.5","","Nimax, Patrick; Rotthowe, Nils; Zoller, Florian; Blockhaus, Tobias; Wagner, Friedrich Ernst; Fattakhova-Rohlfing, Dina; Sünkel, Karlheinz","Coordination polymers of 5-substituted 1,2,3,4-tetracyanocyclopentadienides: structural and electrochemical properties of complex compounds of 5-amino- and 5-nitro-tetracyanocyclopentadienide","Dalton Transactions","2021","","","","","10.1039/D1DT02866A","","","0.71073","MoKα","","0.036","0.0279","","","0.0555","0.0617","","","","","","1.1","","","","has coordinates,has disorder","270610","2021-11-12","00:03:46",""
"7708810","20.6464","0.0013","12.2863","0.0008","18.6507","0.0012","90","","90","","90","","4731.1","0.5","233","","233","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C33 H50 F11 Fe2 N3 P2 S2 -","- C33 H50 F11 Fe2 N3 P2 S2 -","- C132 H200 F44 Fe8 N12 P8 S8 -","4","0.5","","Xu, Sunlin; Yang, Dawei; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","Formation of thiolate-bridged diiron complexes featuring anionic isocyanide originated from the activation of counterions in the outer sphere","Dalton Transactions","2021","","","","","10.1039/D1DT03482K","","","0.71073","MoKα","","0.058","0.0513","","","0.1334","0.1412","","","","","","1.026","","","","has coordinates","270628","2021-11-12","23:56:02",""
"7709114","13.2066","0.0002","23.2676","0.0004","14.0442","0.0003","90","","90","","90","","4315.58","0.14","93","","93","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C44 H45 Cl4 N7 O0.5 Pd2 -","- C44 H45 Cl4 N7 O0.5 Pd2 -","- C176 H180 Cl16 N28 O2 Pd8 -","4","0.5","","Yamashita, Yutaro; Tashiro, Shohei; Ishii, Yoshiki; Uchihashi, Takayuki; Matsushita, Nobuyuki; Kubota, Ryou; Shionoya, Mitsuhiko","Shape-selective one-step synthesis of branched gold nanoparticles on the crystal surface of redox-active Pd<sup>II</sup>-macrocycles.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1318","1324","10.1039/d1dt03973c","","x-ray","1.54184","CuKα","","0.0783","0.0685","","","0.2022","0.2127","","","","","","1.077","","","","has coordinates,has disorder","272691","2022-02-04","19:46:07",""
"7709276","17.1551","0.0009","13.4665","0.0007","13.0108","0.0006","90","","90","","90","","3005.7","0.3","150","0.1","150","0.1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C22 H42 K N2 O6 P Se2 -","- C22 H42 K N2 O6 P Se2 -","- C88 H168 K4 N8 O24 P4 Se8 -","4","0.5","","Zhao, Minggang; Xue, Tingting; He, Ru-Ru; Ma, Jianping; Zheng, Wenjun","Ion-bearing stairs: alkali metal complexes of 1,2-diaza-4-phospholides.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1634","1645","10.1039/d1dt03601g","","x-ray","1.54184","CuKα","","0.1124","0.1088","","","0.2542","0.2558","","","","","","1.118","","","","has coordinates","272694","2022-02-04","19:48:13",""
"7709277","17.2868","0.0005","13.3235","0.0003","13.0097","0.0003","90","","90","","90","","2996.4","0.13","230.01","0.1","230.01","0.1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C22 H42 K N2 O6 P S2 -","- C22 H42 K N2 O6 P S2 -","- C88 H168 K4 N8 O24 P4 S8 -","4","0.5","","Zhao, Minggang; Xue, Tingting; He, Ru-Ru; Ma, Jianping; Zheng, Wenjun","Ion-bearing stairs: alkali metal complexes of 1,2-diaza-4-phospholides.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1634","1645","10.1039/d1dt03601g","","x-ray","1.54184","CuKα","","0.0545","0.0463","","","0.1191","0.1274","","","","","","1.054","","","","has coordinates","272694","2022-02-04","19:48:13",""
"7709291","14.7721","0.0012","21.3648","0.0019","9.6684","0.0008","90","","90","","90","","3051.4","0.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H42 Cl3 Ga N2 -","- C30 H42 Cl3 Ga N2 -","- C120 H168 Cl12 Ga4 N8 -","4","0.5","","Helling, Christoph; Ganesamoorthy, Chelladurai; Wölper, Christoph; Schulz, Stephan","Geminal C-Cl and Si-Cl bond activation of chloromethanes and chlorosilanes by gallanediyl LGa.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","2050","2058","10.1039/d1dt04192d","","","0.71073","MoKα","","0.0598","0.0461","","","0.1049","0.11","","","","","","1.08","","","","has coordinates","272670","2022-02-04","19:39:09",""
"7709294","15.7276","0.0013","21.0688","0.0017","9.4846","0.0008","90","","90","","90","","3142.8","0.4","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H42 Cl3 Ga N2 Si -","- C29 H42 Cl3 Ga N2 Si -","- C116 H168 Cl12 Ga4 N8 Si4 -","4","0.5","","Helling, Christoph; Ganesamoorthy, Chelladurai; Wölper, Christoph; Schulz, Stephan","Geminal C-Cl and Si-Cl bond activation of chloromethanes and chlorosilanes by gallanediyl LGa.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","2050","2058","10.1039/d1dt04192d","","","0.71073","MoKα","","0.0385","0.0309","","","0.0764","0.0823","","","","","","1.089","","","","has coordinates,has disorder","272670","2022-02-04","19:39:09",""
"7709328","13.5882","0.00013","19.5279","0.0002","6.69716","0.00007","90","","90","","90","","1777.08","0.03","100","0.1","100","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Cl6 S2 Se3 W2 -","- C4 H12 Cl6 S2 Se3 W2 -","- C16 H48 Cl24 S8 Se12 W8 -","4","0.5","","Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Sethi, Vikesh; Reid, Gillian","Tungsten(vi) selenide tetrachloride, WSeCl4 – synthesis, properties, coordination complexes and application of [WSeCl4(SenBu2)] for CVD growth of WSe2 thin films","Dalton Transactions","2022","","","","","10.1039/D1DT03980F","","x-ray","1.54184","CuKα","","0.0295","0.0295","","","0.0705","0.0706","","","","","","1.188","","","","has coordinates","272142","2022-01-19","23:52:29",""
"7709493","12.3667","0.0002","20.3331","0.0004","10.443","0.0002","90","","90","","90","","2625.93","0.08","100","1","100","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H36 Br2 N2 Se -","- C27 H36 Br2 N2 Se -","- C108 H144 Br8 N8 Se4 -","4","0.5","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0433","0.0294","","","0.0584","0.0636","","","","","","1.015","","","","has coordinates","272982","2022-02-15","23:59:42",""
"7709523","18.7199","0.0005","18.2981","0.0005","10.5069","0.0003","90","","90","","90","","3599.02","0.17","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C42 H50 Ga N2 -","- C42 H50 Ga N2 -","- C168 H200 Ga4 N8 -","4","0.5","","Dodonov, Vladimir Alekseevich; Kushnerova, Olga A.; Rumyantcev, Roman V.; Novikov, Alexander S.; Osmanov, Vladimir K.; Fedushkin, Igor Leonidovich","Cycloaddition of isoselenocyanates to sodium and magnesium metallacycles","Dalton Transactions","2022","","","","","10.1039/D1DT04366H","","","0.71073","MoKα","","0.0657","0.0386","","","0.0906","0.0987","","","","","","1.033","","","","has coordinates","272984","2022-02-16","00:04:49",""
"7709816","17.4262","0.0003","9.40374","0.00016","17.0884","0.0003","90","","90","","90","","2800.3","0.08","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H41 B2 N3 O -","- C30 H41 B2 N3 O -","- C120 H164 B8 N12 O4 -","4","0.5","","Becker, Christian; Schwabedissen, Jan; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Frustrated Lewis pair chemistry of hydride sponges","Dalton Transactions","2022","","","","","10.1039/D2DT00585A","","x-ray","0.71073","MoKα","","0.0465","0.0417","","","0.112","0.1154","","","","","","1.069","","","","has coordinates","273943","2022-03-23","23:57:41",""
"7710100","24.3679","0.0004","15.9691","0.0002","16.9507","0.0002","90","","90","","90","","6596.08","0.16","153.15","","153.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H6 B Cr3 K4 O66 W12 -","- C6 H6 B Cr3 K4 O66 W12 -","- C24 H24 B4 Cr12 K16 O264 W48 -","4","0.5","","Weng, Zhewei; Ogiwara, Naoki; Yokogawa, Daisuke; Kitao, Takashi; Kikukawa, Yuji; Uchida, Sayaka","Basicity of Isostructural Porous Ionic Crystals Composed of Nb/Ta-Substituted Keggin-Type Polyoxotungstates","Dalton Transactions","2022","","","","","10.1039/D2DT00478J","","x-ray","0.71073","MoKα","","0.067","0.0637","","","0.1684","0.1709","","","","","","1.174","","","","has coordinates","274630","2022-04-21","22:55:03",""
"7710101","24.4216","0.0004","16.0494","0.0002","17.0259","0.0002","90","","90","","90","","6673.34","0.16","153.15","","153.15","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C6 H6 Cr3 K4 Nb O66 Si W11 -","- C6 H6 Cr3 K4 Nb0.997 O66 Si W11.003 -","- C24 H24 Cr12 K16 Nb3.988 O264 Si4 W44.012 -","4","0.5","","Weng, Zhewei; Ogiwara, Naoki; Yokogawa, Daisuke; Kitao, Takashi; Kikukawa, Yuji; Uchida, Sayaka","Basicity of Isostructural Porous Ionic Crystals Composed of Nb/Ta-Substituted Keggin-Type Polyoxotungstates","Dalton Transactions","2022","","","","","10.1039/D2DT00478J","","x-ray","0.71073","MoKα","","0.0737","0.0658","","","0.1732","0.18","","","","","","1.055","","","","has coordinates","274630","2022-04-21","22:55:08",""
"7710102","24.4565","0.0004","16.0527","0.0004","17.0555","0.0004","90","","90","","90","","6695.9","0.3","153.15","","153.15","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C6 H6 Cr3 K4 O66 Si Ta W11 -","- C6 H6 Cr3 K4 O66 Si Ta0.9996 W11.0004 -","- C24 H24 Cr12 K16 O264 Si4 Ta3.9984 W44.0016 -","4","0.5","","Weng, Zhewei; Ogiwara, Naoki; Yokogawa, Daisuke; Kitao, Takashi; Kikukawa, Yuji; Uchida, Sayaka","Basicity of Isostructural Porous Ionic Crystals Composed of Nb/Ta-Substituted Keggin-Type Polyoxotungstates","Dalton Transactions","2022","","","","","10.1039/D2DT00478J","","x-ray","0.71073","MoKα","","0.1166","0.1052","","","0.2644","0.2751","","","","","","1.069","","","","has coordinates","274630","2022-04-21","22:55:08",""
"7710164","13.7873","0.0005","14.7844","0.001","6.9901","0.0003","90","","90","","90","","1424.84","0.13","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H8 Br2 Cd0.5 N -","- C3 H8 Br2 Cd0.5 N -","- C24 H64 Br16 Cd4 N8 -","8","1","","Gautier, Romain; PARIS, Michael; Massuyeau, Florian","Templating Effect of Trans-2,5-dimethylpiperazine (TDMP) on the Structure Dimensionality of Hybrid Metal Halides","Dalton Transactions","2022","","","","","10.1039/D2DT00614F","","x-ray","0.71073","MoKα","","0.0779","0.0364","","","0.0436","0.0516","","","","","","1.0409","","","","has coordinates","274818","2022-05-02","23:22:55",""
"7710226","11.216","0.005","25.174","0.005","19.437","0.004","90","","90","","90","","5488","3","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","8","","","- C59.59 H41.59 Cl6.78 N2 P2 Si2 Zn -","- C59.5936 H41.5936 Cl6.782 N2 P2 Si2 Zn -","- C238.374 H166.374 Cl27.128 N8 P8 Si8 Zn4 -","4","0.5","","Gildenast, Hans; Gruszien, Lukas; Friedt, Felix; Englert, Ulli","Phosphorus or nitrogen – the first phosphatriptycene in coordination polymer chemistry","Dalton Transactions","2022","","","","","10.1039/D2DT00728B","","","0.56356","synchrotron","","0.0382","0.035","","","0.0962","0.0994","","","","","","1.063","","","","has coordinates,has disorder","275309","2022-05-10","22:51:36",""
"7710282","12.3687","0.0007","22.9892","0.001","13.9721","0.0006","90","","90","","90","","3972.9","0.3","153.15","","153.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H49 Cl Fe N2 -","- C45 H49 Cl Fe N2 -","- C180 H196 Cl4 Fe4 N8 -","4","0.5","","Li, Yuzhu; Xi, Jing; Ferrando-Soria, Jesús; Zhang, Yi-Quan; Wang, Wenyuan; Song, You; Guo, Yan; Pardo, Emilio; Liu, Xiangyu","Slow magnetic relaxation in a trigonal-planar mononuclear Fe(ii) complex","Dalton Transactions","2022","","","","","10.1039/D2DT00899H","","","0.71073","MoKα","","0.0854","0.0598","","","0.1777","0.1932","","","","","","1.044","","","","has coordinates,has disorder","275494","2022-05-17","22:50:59",""
"7710385","13.2969","0.0015","6.7069","0.0008","27.78","0.003","90","","90","","90","","2477.4","0.5","100","2","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","1","[Ni(L2)]","","- C28 H31 N4 Ni O2 -","- C28 H31 N4 Ni O2 -","- C112 H124 N16 Ni4 O8 -","4","0.5","","Mukhopadhyay, Narottam; Sengupta, Arunava; Vijay, Aswin Kottapurath; Lloret, Francesc; Mukherjee, Rabindranath","Ni(ii) complexes of a new tetradentate NN′N′′O picolinoyl-1,2-phenylenediamide-phenolate redox-active ligand at different redox levels","Dalton Transactions","2022","","","","","10.1039/D2DT01043G","","","0.71073","MoKα","","0.0498","0.0327","","","0.0689","0.0798","","","","","","1.059","","","","has coordinates,has disorder","275710","2022-05-31","22:56:41",""
"7710637","19.642","0.004","45.952","0.009","11.984","0.002","90","","90","","90","","10817","4","298","2","298","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C37.33 H33.33 Cl F3 O3 P2 Pd S -","- C37.3333 H33.3333 Cl F2.83333 O2.83333 P2 Pd S -","- C448 H400 Cl12 F34 O34 P24 Pd12 S12 -","12","1.5","","Scattolin, Thomas; Visentin, Fabiano; Bortolamiol, Enrica; Caligiuri, Isabella; Rizzolio, Flavio; Cavallo, Luigi; Zhang, Ziyun; Demitri, Nicola; Fama, Francesco","Cationic Palladium(II)-Indenyl complexes bearing phosphines as ancillary ligands: synthesis, study of indenyl amination and anticancer activity","Dalton Transactions","2022","","","","","10.1039/D2DT01821G","","","0.62","Synchrotron","","0.0462","0.042","","","0.1411","0.1463","","","","","","1.031","","","","has coordinates,has disorder","276373","2022-06-28","22:56:00",""
"7710817","16.281","0.0004","12.8355","0.0003","13.3658","0.0003","90","","90","","90","","2793.12","0.11","150","0.1","150","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H22 B Cl3 N6 W -","- C16 H22 B Cl3 N6 W -","- C64 H88 B4 Cl12 N24 W4 -","4","0.5","","Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.","Heterobimetallic μ2-halocarbyne complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01558G","","x-ray","1.54184","CuKα","","0.0416","0.0401","","","0.1096","0.1116","","","","","","1.061","","","","has coordinates,has disorder","276970","2022-07-27","22:54:09",""
"7710822","20.494","0.0004","13.7716","0.0003","7.9961","0.0001","90","","90","","90","","2256.78","0.07","200","","200","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H22 B Br Mo N6 O2 -","- C18 H22 B Br Mo N6 O2 -","- C72 H88 B4 Br4 Mo4 N24 O8 -","4","0.5","","Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.","Heterobimetallic μ2-halocarbyne complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01558G","","","0.71073","MoKα","","0.0713","0.0557","","0.1432","0.1373","0.1432","","","","","","1.0004","","","","has coordinates","276970","2022-07-27","22:54:10",""
"7710826","20.2626","0.0003","13.7288","0.0003","7.9566","0.0002","90","","90","","90","","2213.38","0.08","150.01","0.1","150.01","0.1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H22 B Br N6 O2 W -","- C18 H22 B Br N6 O2 W -","- C72 H88 B4 Br4 N24 O8 W4 -","4","0.5","","Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.","Heterobimetallic μ2-halocarbyne complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01558G","","x-ray","1.54184","CuKα","","0.0592","0.0569","","","0.1263","0.1276","","","","","","1.138","","","","has coordinates,has disorder","276970","2022-07-27","22:54:11",""
"7710895","10.4134","0.0002","12.3697","0.0002","16.5809","0.0002","90","","90","","90","","2135.8","0.06","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","1-(Adamantyl)-3-(2,6-diisopropylphenyl)-imidazolin-2-yliden","","- C25 H34 N2 -","- C25 H34 N2 -","- C100 H136 N8 -","4","0.5","","Koneczny, Marvin; Erol, Arife Büsra; Mauduit, Marc; Eisen, Moris S.; Tamm, Matthias","Titanium complexes with unsymmetrically substituted imidazolin-2-iminato ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","30","11448","11456","10.1039/d2dt01740g","","","1.54184","CuKα","","0.0417","0.0398","","","0.0995","0.1013","","","","","","1.044","","","","has coordinates","277050","2022-08-02","22:58:52",""
"7710998","36.8996","0.0009","19.0503","0.0005","21.1241","0.0005","90","","90","","90","","14849.2","0.6","180","","180","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Co4","","- C84 H76 Cl8 Co4 N28 O48 -","- C84 H76 Cl8 Co4 N28 O48 -","- C336 H304 Cl32 Co16 N112 O192 -","4","0.5","","Yang, Qianqian; Wang, Guo-Lu; Zhang, Yi-Quan; Tang, Jinkui","Self-assembly of fish-bone and grid-like CoII-based single-molecule magnets using dihydrazone ligands with NNN and NNO pockets","Dalton Transactions","2022","","","","","10.1039/D2DT02451A","","","0.71073","MoKα","","0.1484","0.1167","","","0.3635","0.4058","","","","","","1.682","","","","has coordinates","277267","2022-08-16","22:51:37",""
"7711058","19.1631","0.0019","19.543","0.002","8.3341","0.0009","90","","90","","90","","3121.2","0.6","100","2","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C36 H55 B N2 -","- C36 H55 B N2 -","- C144 H220 B4 N8 -","4","0.5","","Kundu, Gargi; Dixit, Ruchi; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya Singha","Versatile chemistry of six-membered NHC with boranes: bromination at sp3 borane, activation of B–H bond of HBpin, and ring expansion of NHC","Dalton Transactions","2022","","","","","10.1039/D2DT01707E","","","0.71073","MoKα","","0.0771","0.0649","","","0.1609","0.1717","","","","","","1.094","","","","has coordinates,has disorder","277395","2022-08-24","22:52:51",""
"7711256","8.3103","0.0004","15.9036","0.0009","18.3037","0.0011","90","","90","","90","","2419.1","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H28 I3 N O6 Pb -","- C12 H28 I3 N O6 Pb -","- C48 H112 I12 N4 O24 Pb4 -","4","0.5","","Xie, Yu-Xin; Yuan, Guo-Jun; Miao, Ji-Bin; Luan, Ye-Ting; Li, Li; Chen, Hong; Ren, Xiaoming","Two-step thermotropic phase transition and dielectric relaxation in 1D supramolecular lead iodide perovskite [NH4@18-crown ether]PbI3","Dalton Transactions","2022","","","","","10.1039/D2DT02621J","","","0.71073","MoKα","","0.074","0.0444","","","0.1086","0.1215","","","","","","1.063","","","","has coordinates,has disorder","277904","2022-09-15","22:36:17",""
"7711296","14.446","0.002","6.8496","0.001","12.429","0.002","90","","90","","90","","1229.8","0.3","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H11 Cd Cl4 N -","- C8 H11 Cd Cl4 N -","- C32 H44 Cd4 Cl16 N4 -","4","0.5","","Liu, Jia; Han, Li-Jun; Shao, Ting; Su, Chang-Yuan; Chen, Ming; Huang, Pei-Zhi; Jia, Qiang-Qiang; Fu, Da-Wei; Lu, Hai-Feng","Metal ion induced dual switchable dielectric and luminescent properties in hybrid halides","Dalton Transactions","2022","","","","","10.1039/D2DT02148J","","","0.71073","MoKα","","0.0574","0.0367","","","0.0784","0.0894","","","","","","1.048","","","","has coordinates","277973","2022-09-18","23:10:55",""
"7711690","18.0743","0.0012","6.7904","0.0005","6.4174","0.0004","90","","90","","90","","787.62","0.09","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cs P S4 Sr -","- Cs P S4 Sr -","- Cs4 P4 S16 Sr4 -","4","0.5","","Huang, Yi; Huang, Junben; Zhang, Yong","Wide band gap thiophosphates ASrPS<sub>4</sub> (A = Li, Na, K, Rb, Cs): cation size effect induced successive structural transformation.","Dalton transactions (Cambridge, England : 2003)","2022","51","39","15067","15073","10.1039/d2dt02321k","","","0.71073","MoKα","","0.0382","0.0313","","","0.075","0.0797","","","","","","1.138","","","","has coordinates","278951","2022-11-05","16:37:11",""
"7711691","17.3427","0.0006","6.6969","0.0002","6.513","0.0002","90","","90","","90","","756.43","0.04","299","","299","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- P Rb S4 Sr -","- P Rb S4 Sr -","- P4 Rb4 S16 Sr4 -","4","0.5","","Huang, Yi; Huang, Junben; Zhang, Yong","Wide band gap thiophosphates ASrPS<sub>4</sub> (A = Li, Na, K, Rb, Cs): cation size effect induced successive structural transformation.","Dalton transactions (Cambridge, England : 2003)","2022","51","39","15067","15073","10.1039/d2dt02321k","","","0.71073","MoKα","","0.0225","0.0206","","","0.0458","0.0464","","","","","","1.127","","","","has coordinates","278951","2022-11-05","16:37:11",""
"7711692","16.849","0.0017","6.6365","0.0006","6.5607","0.0008","90","","90","","90","","733.61","0.13","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- K P S4 Sr -","- K P S4 Sr -","- K4 P4 S16 Sr4 -","4","0.5","","Huang, Yi; Huang, Junben; Zhang, Yong","Wide band gap thiophosphates ASrPS<sub>4</sub> (A = Li, Na, K, Rb, Cs): cation size effect induced successive structural transformation.","Dalton transactions (Cambridge, England : 2003)","2022","51","39","15067","15073","10.1039/d2dt02321k","","","0.71073","MoKα","","0.0815","0.077","","","0.2129","0.2158","","","","","","1.183","","","","has coordinates","278951","2022-11-05","16:37:11",""
"7711711","13.1969","0.0003","23.5561","0.0007","5.9279","0.0002","90","","90","","90","","1842.79","0.09","100","0.1","100","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H16 Mo2 N4 O10 S -","- C10 H16 Mo2 N4 O10 S -","- C40 H64 Mo8 N16 O40 S4 -","4","0.5","","Lin, Rong-Yan; Deng, Lan; An, Dong-Li; Zhou, Zhao-Hui","Binuclear, tetranuclear and hexadecanuclear thio-oxomolybdenum(V/IV) glycolates with selective adsorptions of gases.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","562","571","10.1039/d2dt03324k","","x-ray","1.54184","CuKα","","0.0376","0.0348","","","0.0957","0.0973","","","","","","1.178","","","","has coordinates","283349","2023-05-05","02:42:43",""
"7711743","13.2552","0.0015","6.7087","0.0008","7.6337","0.0007","90","","90","","90","","678.83","0.13","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H3 N7 O3 -","- C4 H3 N7 O3 -","- C16 H12 N28 O12 -","4","0.5","","Shreeve, Jean'ne M.; Chinnam, Ajay Kumar; Tang, Yongxing; Staples, Richard J.","Effects of nitric acid concentration for nitration of fused [1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-diamine","Dalton Transactions","2022","","","","","10.1039/D2DT03255D","","x-ray","0.71073","MoKα","","0.0789","0.0639","","","0.1683","0.1845","","","","","","1.04","","","","has coordinates","279220","2022-11-11","00:00:58",""
"7712404","12.8405","0.001","13.7735","0.0012","7.3358","0.0006","90","","90","","90","","1297.4","0.19","180","","180","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H4 Ca Fe K2 N6 O2 -","- C6 H4 Ca Fe K2 N6 O2 -","- C24 H16 Ca4 Fe4 K8 N24 O8 -","4","0.5","","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","","0.089","0.0821","","","0.1844","0.1872","","","","","","0.978","","","","has coordinates","281139","2023-02-25","08:39:03",""
"7712536","18.412","0.002","23.1159","0.0013","4.717","0.0004","90","","90","","90","","2007.6","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H13 O Se0.5 -","- C11 H13 O Se0.5 -","- C88 H104 O8 Se4 -","8","1","","Joshi, Hemant; Kumar, Sunil; Singh, Sohan; Mahala, Suman; Janjani, Prachi; Rajagopala Reddy, S.; Rom, Tanmay; Paul, Avijit; Roy, Partha","Palladium complex of macrocyclic selenium ligand: Catalyst for dehydroxymethylation of dihydroxy compounds","Dalton Transactions","2023","","","","","10.1039/D3DT00375B","","x-ray","1.54184","CuKα","","0.1345","0.0999","","","0.2731","0.3115","","","","","","1.056","","","","has coordinates","281753","2023-03-08","23:53:04",""
"7712611","19.4682","0.0007","22.7439","0.0007","8.0177","0.0003","90","","90","","90","","3550.1","0.2","297","2","297","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C23 H28 Cu3 I6 N5 O2 -","- C23 H23 Cu3 I6 N5 O2 -","- C92 H92 Cu12 I24 N20 O8 -","4","0.5","","Leng, Feng; Zhang, Xiao; Yu, Jie-Hui","Photocatalytic properties of iodometallates with <i>in situ</i>-generated organic bases as countercations.","Dalton transactions (Cambridge, England : 2003)","2023","52","16","5127","5140","10.1039/d2dt03589h","","","0.71073","MoKα","","0.0519","0.0494","","","0.1505","0.1537","","","","","","1.094","","","","has coordinates","283311","2023-05-05","02:21:29",""
"7712612","19.595","0.002","22.8721","0.0017","8.1757","0.0007","90","","90","","90","","3664.2","0.6","257","2","257","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C23 H28 Ag3 I6 N5 O2 -","- C23 H21 Ag3 I6 N5 O2 -","- C92 H84 Ag12 I24 N20 O8 -","4","0.5","","Leng, Feng; Zhang, Xiao; Yu, Jie-Hui","Photocatalytic properties of iodometallates with <i>in situ</i>-generated organic bases as countercations.","Dalton transactions (Cambridge, England : 2003)","2023","52","16","5127","5140","10.1039/d2dt03589h","","","0.71073","MoKα","","0.0947","0.0865","","","0.2282","0.2349","","","","","","1.106","","","","has coordinates","283311","2023-05-05","02:21:39",""
"7712614","15.7091","0.0003","15.5322","0.0003","8.0832","0.0002","90","","90","","90","","1972.28","0.07","295","2","295.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H18 B10 N2 -","- C16 H18 B10 N2 -","- C64 H72 B40 N8 -","4","0.5","","Xu, Shi-Nuo; Zheng, Yan; Ye, Jing-Yao; Chen, Zhong-Yang; Yan, Jian-Feng; Geng, Yan-Hou; Hong, Wenjing; Yuan, Yao-Feng","Conductance of <i>o</i>-carborane-based wires with different substitution patterns.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00011g","","","1.54184","CuKα","","0.0559","0.0489","","","0.1335","0.1413","","","","","","1.047","","","","has coordinates","281879","2023-03-15","00:02:42",""
"7712837","17.7129","0.0009","18.7916","0.0007","12.3172","0.0006","90","","90","","90","","4099.8","0.3","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","2","","- C28 H63 Br Fe Si9 -","- C28 H63 Br Fe Si9 -","- C112 H252 Br4 Fe4 Si36 -","4","0.5","","Rupf, Susanne M.; Sievers, Robin; Riemann, Paulin S.; Reimann, Marc; Kaupp, Martin; Fasting, Dr. Carlo; Malischewski, Moritz","Persilylation of Ferrocene: The Ultimate Discipline in Sterically Overcrowded Metal Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01133J","","","0.71073","MoKα","","0.0355","0.0295","","","0.0788","0.082","","","","","","1.045","","","","has coordinates,has disorder","282755","2023-04-19","23:57:19",""
"7713008","11.7529","0.0002","20.8862","0.0004","18.2988","0.0003","90","","90","","90","","4491.87","0.14","89.97","0.18","90.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C30 H50 Br Cl3 Mn3 N6 O11 -","- C30 H50 Br Cl3.0004 Mn3 N6 O11 -","- C120 H200 Br4 Cl12.0016 Mn12 N24 O44 -","4","0.5","","Pražáková, Marie; Ndiaye, Daouda; Toth, Eva J.; Drahoš, Bohuslav","Seven-coordinate Mn(II) complex with a pyridine-based 15-membered macrocyclic ligand containing one acetate pendant arm: structure, stability and relaxation properties","Dalton Transactions","2023","","","","","10.1039/D3DT00701D","","","1.54184","CuKα","","0.0551","0.0532","","","0.1485","0.1505","","","","","","1.046","","","","has coordinates,has disorder","283701","2023-05-11","23:07:29",""
"7713276","23.5716","0.0017","10.7966","0.0008","12.5938","0.0009","90","","90","","90","","3205","0.4","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cs8 Mn2 Mo14 O65 -","- Cs8 Mn2 Mo14 O65 -","- Cs16 Mn4 Mo28 O130 -","2","0.25","","Shang, Jining; Li, Xiang; Ren, Yuanhang; Ding, Hongxin; Cao, Jiapeng; He, Rui; Yue, Bin; He, Heyong","An one-dimensional chain of manganese(II) bridged peroxomolybdate isolated from aqueous Mn-polymolybdate-H2O2 system","Dalton Transactions","2023","","","","","10.1039/D3DT01243C","","","1.34138","GaKα","","0.0652","0.0614","","","0.1674","0.1764","","","","","","1.089","","","","has coordinates","284616","2023-06-29","10:54:25",""
"7713277","23.5716","0.0017","10.7966","0.0008","12.5938","0.0009","90","","90","","90","","3205","0.4","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cs4 Mn Mo7 O32.25 -","- Cs4 Mn Mo7 O32.25 -","- Cs16 Mn4 Mo28 O129 -","4","0.5","","Shang, Jining; Li, Xiang; Ren, Yuanhang; Ding, Hongxin; Cao, Jiapeng; He, Rui; Yue, Bin; He, Heyong","An one-dimensional chain of manganese(II) bridged peroxomolybdate isolated from aqueous Mn-polymolybdate-H2O2 system","Dalton Transactions","2023","","","","","10.1039/D3DT01243C","","","1.34138","GaKα","","0.0657","0.0619","","","0.1673","0.1765","","","","","","1.081","","","","has coordinates","284617","2023-06-29","10:54:54",""
"7713314","7.8675","0.0017","14.825","0.004","12.827","0.003","90","","90","","90","","1496.1","0.6","125","2","125","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H12 N2 Pt S4 -","- C14 H12 N2 Pt S4 -","- C56 H48 N8 Pt4 S16 -","4","0.5","","Pintus, Anna; Pilloni, Cristian; Pippia, Gabriele; Podda, Enrico; Carla Aragoni, M.; Lippolis, Vito; Aloukos, Panagiotis; Potamianos, Dionysios; Chazapis, Nikolaos; Couris, Stelios; Anyfantis, George C.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Arca, Massimiliano","A new class of third-order nonlinear optical materials: laser pulse-duration dependant saturable absorption and nonlinear refraction in platinum(II) diimine-dithiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00931a","","","0.71075","MoKα","","0.0254","0.0251","","","0.0656","0.0657","","","","","","1.131","","","","has coordinates,has disorder","284631","2023-06-29","11:11:38",""
"7713335","13.3771","0.0007","9.7035","0.0006","16.8488","0.0012","90","","90","","90","","2187.1","0.2","273","0.1","273","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 Cd I4 N2 -","- C8 Cd I4 N2 -","- C32 Cd4 I16 N8 -","4","0.5","","Zhang, Si-Yue; Zhang, Zhi-Cheng; Zhang, Tie; Ni, Hao-Fei; Zhang, Zhixu; Fu, Da-Wei; Lu, Hai-Feng","Methyl Regulation Triggers High-Temperature Ferroelastic Phase Transition","Dalton Transactions","2023","","","","","10.1039/D3DT01574B","","x-ray","0.71073","MoKα","","0.0669","0.0542","","","0.1573","0.1657","","","","","","1.074","","","","has coordinates","284731","2023-06-30","22:51:02",""
"7713337","14.3623","0.0006","9.9781","0.0006","17.5752","0.0008","90","","90","","90","","2518.7","0.2","272.94","0.1","272.94","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H32 Cd I4 N2 -","- C12 H32 Cd I4 N2 -","- C48 H128 Cd4 I16 N8 -","4","0.5","","Zhang, Si-Yue; Zhang, Zhi-Cheng; Zhang, Tie; Ni, Hao-Fei; Zhang, Zhixu; Fu, Da-Wei; Lu, Hai-Feng","Methyl Regulation Triggers High-Temperature Ferroelastic Phase Transition","Dalton Transactions","2023","","","","","10.1039/D3DT01574B","","x-ray","0.71073","MoKα","","0.0888","0.0764","","","0.2348","0.248","","","","","","1.169","","","","has coordinates,has disorder","284731","2023-06-30","22:51:02",""
"7713338","14.196","0.007","9.791","0.005","17.224","0.01","90","","90","","90","","2394","2","273","","273","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 Cd I4 N2 -","- C10 Cd I4 N2 -","- C40 Cd4 I16 N8 -","4","0.5","","Zhang, Si-Yue; Zhang, Zhi-Cheng; Zhang, Tie; Ni, Hao-Fei; Zhang, Zhixu; Fu, Da-Wei; Lu, Hai-Feng","Methyl Regulation Triggers High-Temperature Ferroelastic Phase Transition","Dalton Transactions","2023","","","","","10.1039/D3DT01574B","","","0.71073","MoKα","","0.1481","0.0672","","","0.221","0.284","","","","","","1.028","","","","has coordinates","284731","2023-06-30","22:51:02",""
"7713354","16.6388","0.001","20.2254","0.0013","15.4445","0.0009","90","","90","","90","","5197.5","0.5","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C53 H51 Cl2 F10 N3 O2 Zn -","- C53 H51 Cl2 F10 N3 O2 Zn -","- C212 H204 Cl8 F40 N12 O8 Zn4 -","4","0.5","","Delgado-Collado, Juan Manuel; Gallardo-Villagrán, Manuel; Alvarez González, Eleuterio; Campora, Juan; Rodríguez Delgado, Antonio","Ligand and Metal-Centred Reactivity in 2,6-bis(imino)-1,4-dihydropyridinate Zn(II) alkyls: the dual behaviour of an intriguing type of complex.","Dalton Transactions","2023","","","","","10.1039/D3DT01492D","","","0.71073","MoKα","","0.1172","0.076","","","0.1922","0.2109","","","","","","1.054","","","","has coordinates","284761","2023-07-03","22:50:31",""
"7713519","8.8615","0.0011","11.5618","0.0018","23.392","0.003","90","","90","","90","","2396.6","0.6","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H25 Cl F3 N O9 S -","- C14.999 H25 Cl F3 N O9 S -","- C59.996 H100 Cl4 F12 N4 O36 S4 -","4","0.5","","Song, Ning; Ying, Ting-Ting; Tan, Yu-Hui; Tang, Yun Zhi; Liao, Juan; Wang, Li Juan; Wang, Fang Xin; Wan, Ming-Yang","2-Chloroethylamine·Trifluoromethanesulfonate Combined with 18-Crown-6: a Ferroelectric with Excellent Dielectric Switching Properties","Dalton Transactions","2023","","","","","10.1039/D3DT01426F","","x-ray","0.71073","MoKα","","0.118","0.0722","","","0.2304","0.28","","","","","","1.083","","","","has coordinates,has disorder","285281","2023-07-19","22:59:45",""
"7713520","16.7903","0.0015","5.3088","0.0004","11.5314","0.0005","90","","90","","90","","1027.87","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba4 H6 O18 P6 Zn2 -","- Ba4 H6 O18 P6 Zn2 -","- Ba8 H12 O36 P12 Zn4 -","2","0.25","","Zhang, Yu; Liu, Xia; Liu, Qian-Yan; Wang, Jianhua; HU, Ting; Lin, Yan-Mei; Zhang, Jian-Han","CaZn(HPO3)2 and Ba2Zn(HPO3)3 : Novel Alkaline-Earth Zincophosphites with Diversified Anionic Frameworks","Dalton Transactions","2023","","","","","10.1039/D3DT01321A","","","0.71073","MoKα","","0.0564","0.0336","","","0.0664","0.0731","","","","","","0.969","","","","has coordinates","285282","2023-07-19","23:00:25",""
"7713792","14.7263","0.0008","17.7923","0.0012","9.6321","0.0006","90","","90","","90","","2523.8","0.3","300","","300","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H36 Cl2 Co N2 -","- C25 H36 Cl2 Co N2 -","- C100 H144 Cl8 Co4 N8 -","4","0.5","","Fu, Yuan; Tang, Jian; Hua, Jing","Ultrahigh Activity and Broad Temperature Resistance of Amine-Imine Cobalt Precatalysts for Butadiene Polymerization","Dalton Transactions","2023","","","","","10.1039/D3DT02460A","","x-ray","0.71073","MoKα","","0.1283","0.1037","","","0.2471","0.2585","","","","","","1.097","","","","has coordinates,has disorder","285868","2023-08-24","23:02:24",""
"7713853","9.4181","0.0009","6.6865","0.0006","14.2531","0.0013","90","","90","","90","","897.58","0.14","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H6 Ag Cl N4 O5 -","- C4 H6 Ag Cl N4 O5 -","- C16 H24 Ag4 Cl4 N16 O20 -","4","0.5","","Zhang, Chao; Wang, Tingwei; Lu, Zu-Jia; Yi, Zhenxin; Kuang, Baolong; Bu, Shu; Xie, Zhiming; Li, Yan; Wang, Kun; Zhang, Jianguo","Optimization of Performance and Sensitivity: Preparation of Two Ag(I)-based ECPs by Using Isomeric Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02429F","","","0.71073","MoKα","","0.0858","0.061","","","0.1511","0.1624","","","","","","1.111","","","","has coordinates","285943","2023-08-31","23:05:42",""
"7714048","17.9971","0.0006","20.3282","0.0007","13.9362","0.0004","90","","90","","90","","5098.5","0.3","130","2","130","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","4(N,N-dimethylamino)pyridinium iodobismuthate","","- C28 H44 Bi2 I10 N8 -","- C28 H44 Bi2 I10 N8 -","- C112 H176 Bi8 I40 N32 -","4","0.5","","Abdi, Gisya; Gryl, Marlena; Sławek, Andrzej; Kowalewska, Ewelina; Mazur, Tomasz; Podborska, Agnieszka; Mech, Krzysztof; Zawal, Piotr; Pritam, Anurag; Kmita, Angelika; Alluhaibi, Lulu; Maximenko, Alexey; Chakkooth, Vijayakumar; Szacilowski, Konrad","Influence of Crystal Structure and Composition on Optical and Electronic Properties of Pyridinium-based Bismuth Iodide Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02910G","","x-ray","0.71073","MoKα","","0.0421","0.0269","","","0.0579","0.0622","","","","","","1.014","","","","has coordinates","286597","2023-09-28","22:56:32",""
"7714125","20.7756","0.0017","23.3714","0.0019","10.0722","0.0008","90","","90","","90","","4890.6","0.7","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H12 Br I N2 Pt -","- C16 H12 Br I N2 Pt -","- C192 H144 Br12 I12 N24 Pt12 -","12","1.5","","Gitlina, Anastasiia Yu.; Petrovskii, Stanislav; Luginin, Maksim; Melnikov, Alexei S.; Rychagova, Elena A.; Ketkov, Sergey Yu.; Grachova, Elena V.","X/Y Platinum(II) complexes: some features of supramolecular assembly via halogen bonding","Dalton Transactions","2023","","","","","10.1039/D3DT02970K","","","0.71073","MoKα","","0.0286","0.0271","","","0.0557","0.0562","","","","","","1.21","","","","has coordinates","286833","2023-10-06","22:58:49",""
"7714323","8.8167","0.0003","6.5913","0.0002","21.1218","0.0007","90","","90","","90","","1227.46","0.07","298","2","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B Ba3 P S7 -","- B Ba3 P S7 -","- B4 Ba12 P4 S28 -","4","0.5","","Zhou, Jiazheng; Wang, Linan; Wang, Hongshan; Luo, Ling; Li, Junjie; Yu, Feng","Ba3(BS3)(PS4): The First Alkaline-Earth Metal Thioborate-Thiophosphate with Strong Optical Anisotropy Originated from Planar [BS3] Units","Dalton Transactions","2023","","","","","10.1039/D3DT02807K","","","0.71073","MoKα","","0.0141","0.0138","","","0.0308","0.031","","","","","","1.202","","","","has coordinates","287129","2023-10-26","22:54:49",""
"7714330","9.496","0.0019","12.83","0.003","24.979","0.005","90","","90","","90","","3043.3","1.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H10 I4 N2 Sn -","- C6 H10 I4 N2 Sn -","- C48 H80 I32 N16 Sn8 -","8","1","","Jung, Mi Hee","Diammonium Spacer-Induced Stable Zigzag Type 2D Dion-Jacobson Lead/Tin-Based Perovskite Solar Cells","Dalton Transactions","2023","","","","","10.1039/D3DT02041J","","","0.7","synchrotron","","0.0491","0.0423","","","0.1285","0.1324","","","","","","1.135","","","","has coordinates","287161","2023-10-28","22:49:12",""
"7714368","11.0584","0.0013","6.5961","0.0007","16.3424","0.0018","90","","90","","90","","1192.1","0.2","173","2","173.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H6 Co2 N6 O5 -","- C8 H6 Co2 N6 O5 -","- C32 H24 Co8 N24 O20 -","4","0.5","","Ding, Bo; Liu, Zhong-Yi; Gong, Xin-JIng; Tang, Hui-Min; Wang, Xiu-Guang; Liu, Zheng-Yu; Dong, Hui-Ming; Liu, Jing; Yang, En-Cui","Interlayer interaction force-tuned magnetic responses in CoII-tetrazolate-carboxylate system from canted antiferromagnet to field-induced metamagnet","Dalton Transactions","2023","","","","","10.1039/D3DT02851H","","","0.71073","MoKα","","0.0333","0.0287","","","0.063","0.0661","","","","","","1.102","","","","has coordinates","287234","2023-11-02","00:02:41",""
"7714429","7.151","0.002","6.596","0.002","25.646","0.008","90","","90","","90","","1209.7","0.6","296.15","","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H9 N3 O5 Pb -","- C11 H9 N3 O5 Pb -","- C44 H36 N12 O20 Pb4 -","4","0.5","","Lv, Qiu; Guan, Qing Lin; Li, Jin Long; Li, Jin Xiao; Jin, Jing; Bai, Feng Ying; Xing, Yong Heng","Smart crystalline framework materials with a triazole carboxylic acid ligand: fluorescence sensing and catalytic reduction of PNP.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02406g","","x-ray","0.71073","MoKα","","0.0728","0.0686","","","0.1916","0.194","","","","","","1.095","","","","has coordinates,has disorder","287495","2023-11-09","23:52:07",""
"7714434","8.6905","0.0014","11.9599","0.0018","18.386","0.003","90","","90","","90","","1911","0.5","126","2","126","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C5 H6 Co2 Cs N7 O18 -","- C5 H6 Co2 Cs N7 O18 -","- C20 H24 Co8 Cs4 N28 O72 -","4","0.5","","Vorobyova, Anna; Lyssenko, Konstantin; Chistyakov, Gregory; Morozov, Igor V.; Ovchenkov, Yevgeny; Vasilchikova, Tatyana M.; Koo, Hyun-Joo; Whangbo, Mike; Volkova, Olga S.; Vasiliev, Alexander","Combination of Organic and Inorganic Cations in Synthesis of Transition Metal Nitrates: Preparation and Characterization of Canted Rectangular Ising Antiferromagnet (PyH)CsCo2(NO3)6","Dalton Transactions","2023","","","","","10.1039/D3DT03159D","","","0.71073","MoKα","","0.0574","0.0472","","","0.0998","0.1049","","","","","","1.05","","","","has coordinates,has disorder","287497","2023-11-09","23:53:38",""
"7714435","8.658","0.003","11.869","0.004","17.593","0.006","90","","90","","90","","1807.9","1.1","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H10 N8 Ni2 O18 -","- C5 H10 N8 Ni2 O18 -","- C20 H40 N32 Ni8 O72 -","4","0.5","","Vorobyova, Anna; Lyssenko, Konstantin; Chistyakov, Gregory; Morozov, Igor V.; Ovchenkov, Yevgeny; Vasilchikova, Tatyana M.; Koo, Hyun-Joo; Whangbo, Mike; Volkova, Olga S.; Vasiliev, Alexander","Combination of Organic and Inorganic Cations in Synthesis of Transition Metal Nitrates: Preparation and Characterization of Canted Rectangular Ising Antiferromagnet (PyH)CsCo2(NO3)6","Dalton Transactions","2023","","","","","10.1039/D3DT03159D","","","0.71073","MoKα","","0.074","0.0494","","","0.104","0.1195","","","","","","1.036","","","","has coordinates","287497","2023-11-09","23:53:38",""
"7714436","8.632","0.003","11.859","0.004","18.173","0.004","90","","90","","90","","1860.3","1","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C5 H6 Cs N7 Ni2 O18 -","- C5 H6 Cs N7 Ni2 O18 -","- C20 H24 Cs4 N28 Ni8 O72 -","4","0.5","","Vorobyova, Anna; Lyssenko, Konstantin; Chistyakov, Gregory; Morozov, Igor V.; Ovchenkov, Yevgeny; Vasilchikova, Tatyana M.; Koo, Hyun-Joo; Whangbo, Mike; Volkova, Olga S.; Vasiliev, Alexander","Combination of Organic and Inorganic Cations in Synthesis of Transition Metal Nitrates: Preparation and Characterization of Canted Rectangular Ising Antiferromagnet (PyH)CsCo2(NO3)6","Dalton Transactions","2023","","","","","10.1039/D3DT03159D","","","0.71073","MoKα","","0.0311","0.0243","","","0.0564","0.0588","","","","","","1.005","","","","has coordinates","287497","2023-11-09","23:53:38",""
"7714575","6.7095","0.0003","10.7458","0.0005","15.4294","0.0006","90","","90","","90","","1112.44","0.08","102","2","102","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C11 H15 B F N O2 -","- C11 H15 B F N O2 -","- C44 H60 B4 F4 N4 O8 -","4","0.5","","Lenz, Tabea; Hebenbrock, Marian","Phenylsilver - an unexpected one-dimensional coordination polymer of silver(I) tetrads.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","423","427","10.1039/d3dt03007e","","","0.71073","MoKα","","0.0457","0.0453","","","0.1107","0.1109","","","","","","1.052","","","","has coordinates,has disorder","289523","2024-02-04","12:01:41",""
"7714794","11.2782","0.0004","15.363","0.0004","9.5551","0.0002","90","","90","","90","","1655.58","0.08","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H15 Br5 Mn N6 -","- C3 H15 Br5 Mn N6 -","- C12 H60 Br20 Mn4 N24 -","4","0.5","","Fateev, Sergey A.; Kozhevnikova, Vladislava Y.; Kuznetsov, Kirill M.; Belikova, Daria E.; Khrustalev, Victor N.; Goodilin, Eugene A.; Tarasov, Alexey B.","Optical and scintillation properties of hybrid manganese(II) bromides with formamidinium and acetamidinium cations.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2722","2730","10.1039/d3dt03452f","","","1.54184","CuKα","","0.0466","0.0448","","","0.11","0.1117","","","","","","1.014","","","","has coordinates","290185","2024-03-04","20:18:55",""
"7714998","13.99","","7.058","","16.715","","90","","90","","90","","1650.46","","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H12 Mn2 N7 -","- C16 H12 Mn2 N7 -","- C64 H48 Mn8 N28 -","4","0.5","","Imamura, Yuki; Yoshino, Haruka; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","A novel style of 2D Hofmann-type coordination polymer incorporated trigonal prismatic coordination geometry with bidentate co-ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","3970","3974","10.1039/d3dt03914e","","","0.71073","MoKα","","0.042","0.0329","","","0.0816","0.0864","","","","","","1.048","","","","has coordinates,has disorder","290212","2024-03-04","20:25:17",""
"7714999","14.3053","0.0007","7.2469","0.0002","17.0304","0.0009","90","","90","","90","","1765.53","0.14","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","MnCr_dmbpy","","","- C16 H11 Cr Mn N7 -","- C16 H11 Cr Mn N7 -","- C64 H44 Cr4 Mn4 N28 -","4","0.5","","Imamura, Yuki; Yoshino, Haruka; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","A novel style of 2D Hofmann-type coordination polymer incorporated trigonal prismatic coordination geometry with bidentate co-ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","3970","3974","10.1039/d3dt03914e","powder diffraction","","1.138","Synchrotron","","0.00589","","","","","","0.00747","0.01064","0.1436","","","","","","","has coordinates","290212","2024-03-04","20:25:17",""
"7715054","13.5704","0.0017","9.633","0.0012","7.0067","0.0009","90","","90","","90","","915.9","0.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl5 H2 K2 O Ru -","- Cl5 H2 K2 O Ru -","- Cl20 H8 K8 O4 Ru4 -","4","0.5","","He, Yu-Ru; Zhang, Mi; Huang, Wen-Hui; Xue, Xiang-Xian; Zhou, Zi-Qin; Feng, Li-Na; Yang, Jian-Hui; Liu, Bin","Edge-sharing bi-octahedral diruthenium(IV,IV) compounds containing Ru-Ru bonds chelated and bridged by two carbonate and two oxo groups.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4598","4606","10.1039/d3dt03864e","","","0.71073","MoKα","","0.0417","0.0323","","","0.0754","0.0812","","","","","","1.012","","","","has coordinates","290912","2024-04-04","23:16:49",""
"7715138","15.257","0.0001","21.1082","0.0001","8.587","0.0001","90","","90","","90","","2765.42","0.04","150","0.1","150","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C29 H43 Cu N2 -","- C29 H43 Cu N2 -","- C116 H172 Cu4 N8 -","4","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","","0.0288","0.0274","","","0.0754","0.0764","","","","","","1.068","","","","has coordinates,has disorder","290208","2024-03-04","20:24:36",""
"7715156","24.258","0.005","14.863","0.003","18.414","0.004","90","","90","","90","","6639","2","100","0.2","100","0.2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C27 H92 Cl6 N12 O40 Zn6 -","- C24 H66 Cl6 N12 O30 Zn6 -","- C96 H264 Cl24 N48 O120 Zn24 -","4","0.5","","Keypour, Hassan; Zeynali, Hamid; Fatemikia, Hojatollah; Ranjbar, Nika; Karamian, Roya; Rezaei, Mohammad Taher; Gable, Robert William","Anticancer, antioxidant, and antimicrobial studies and molecular docking of a new hexanuclear Zn(II) complex, together with its X-ray crystal analysis.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4512","4525","10.1039/d3dt03327a","","","0.71076","Synchrotron","","0.0753","0.0663","","","0.2093","0.2203","","","","","","1.098","","","","has coordinates,has disorder","290925","2024-04-04","23:21:37",""
"7715165","13.3806","0.0004","11.9359","0.0004","12.9332","0.0005","90","","90","","90","","2065.55","0.12","192","","192","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H22 Cl2 Cu N4 O8 -","- C16 H22 Cl2 Cu N4 O8 -","- C64 H88 Cl8 Cu4 N16 O32 -","4","0.5","","Wang, Jieying; Ping, Yezi; Chen, Yanmei; Liu, Shanshan; Dong, Jinfeng; Ruan, Zhijun; Liang, Xiangming; Lin, Junqi","Improvement of electrocatalytic water oxidation activity of novel copper complex by modulating the axial coordination of phosphate on metal center.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5222","5229","10.1039/d3dt03409g","","","0.71073","MoKα","","0.0334","0.0287","","","0.0728","0.0761","","","","","","1.039","","","","has coordinates,has disorder","290966","2024-04-04","23:31:41",""
"7715166","13.4467","0.0008","12.0071","0.0009","12.9894","0.001","90","","90","","90","","2097.2","0.3","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H28 Cu N4 O8 P2 -","- C16 H28 Cu N4 O8 P2 -","- C64 H112 Cu4 N16 O32 P8 -","4","0.5","","Wang, Jieying; Ping, Yezi; Chen, Yanmei; Liu, Shanshan; Dong, Jinfeng; Ruan, Zhijun; Liang, Xiangming; Lin, Junqi","Improvement of electrocatalytic water oxidation activity of novel copper complex by modulating the axial coordination of phosphate on metal center.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5222","5229","10.1039/d3dt03409g","","","0.71073","MoKα","","0.0732","0.054","","","0.1486","0.1648","","","","","","1.06","","","","has coordinates,has disorder","290966","2024-04-04","23:31:42",""
"7715523","20.9148","0.0009","17.5238","0.0006","4.21488","0.00017","90","","90","","90","","1544.78","0.11","100","0.1","100","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H11 Cl2 N7 O3 S -","- C10 H11 Cl2 N7 O3 S -","- C40 H44 Cl8 N28 O12 S4 -","4","0.5","","Lal, Sohan; Staples, Richard J.; Shreeve, Jean'ne M.","Azidomethyl-Bisoxadiazol- Linked-1,2,3-Triazole-(ABT)-Based Potential Liquid Propellant and Energetic Plasticizer†","Dalton Transactions","2024","","","","","10.1039/D4DT00638K","","x-ray","1.54184","CuKα","","0.0614","0.0447","","","0.1105","0.1214","","","","","","1.033","","","","has coordinates,has disorder","290658","2024-03-27","00:08:26",""
"7715588","7.4798","0.0004","21.5667","0.0013","8.3086","0.0004","90","","90","","90","","1340.3","0.13","280.01","0.1","280.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tz2PbCl4","","- C2.29 H4.57 Cl2.29 N3.43 Pb0.57 -","- C2.28571 H4.57143 Cl2.28571 N3.42857 Pb0.571429 -","- C16 H32 Cl16 N24 Pb4 -","7","0.875","","Mączka, Mirosław; Sobczak, Szymon; Ptak, Maciej; Smółka, Szymon; Fedoruk, Katarzyna; Dybała, Filip; Herman, Artur P.; Paraguassu, Waldeci; Zaręba, Jan K; Kudrawiec, Robert; Sieradzki, Adam; Katrusiak, Andrzej","Revisiting a (001)-oriented layered lead chloride templated by 1,2,4-triazolium: structural phase transitions, lattice dynamics and broadband photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt00406j","","","0.71073","MoKα","","0.0325","0.0244","","","0.0546","0.0575","","","","","","1.133","","","","has coordinates","290739","2024-04-02","23:08:07",""
"7715590","7.4929","0.0003","21.5667","0.001","8.3106","0.0004","90","","90","","90","","1342.97","0.1","300","0.1","300.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tz2PbCl4","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","0.5","","Mączka, Mirosław; Sobczak, Szymon; Ptak, Maciej; Smółka, Szymon; Fedoruk, Katarzyna; Dybała, Filip; Herman, Artur P.; Paraguassu, Waldeci; Zaręba, Jan K; Kudrawiec, Robert; Sieradzki, Adam; Katrusiak, Andrzej","Revisiting a (001)-oriented layered lead chloride templated by 1,2,4-triazolium: structural phase transitions, lattice dynamics and broadband photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt00406j","","","0.71073","MoKα","","0.0381","0.0275","","","0.0608","0.0656","","","","","","1.114","","","","has coordinates","290739","2024-04-02","23:08:07",""
"7715591","7.5195","0.0002","21.5921","0.0007","8.302","0.0002","90","","90","","90","","1347.93","0.07","320.01","0.1","320.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tz2PbCl4","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","0.5","","Mączka, Mirosław; Sobczak, Szymon; Ptak, Maciej; Smółka, Szymon; Fedoruk, Katarzyna; Dybała, Filip; Herman, Artur P.; Paraguassu, Waldeci; Zaręba, Jan K; Kudrawiec, Robert; Sieradzki, Adam; Katrusiak, Andrzej","Revisiting a (001)-oriented layered lead chloride templated by 1,2,4-triazolium: structural phase transitions, lattice dynamics and broadband photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt00406j","","","0.71073","MoKα","","0.0496","0.0266","","","0.0462","0.0515","","","","","","1.118","","","","has coordinates","290739","2024-04-02","23:08:07",""
"7715728","15.336","0.003","6.707","0.002","13.506","0.002","90","","90","","90","","1389.2","0.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H15 B N2 O2 -","- C17 H15 B N2 O2 -","- C68 H60 B4 N8 O8 -","4","0.5","","Wang, Xiaobai; Rüttger, Franziska; Kretsch, Johannes; Kreyenschmidt, Anne; Herbst-Irmer, Regine; Stalke, Dietmar","Boron bis-(4-methylbenzoxazol-2-yl)-methanide complexes","Dalton Transactions","2024","","","","","10.1039/D4DT00522H","","","0.71073","MoKα","","0.0366","0.0348","","","0.0969","0.0992","","","","","","1.046","","","","has coordinates","291211","2024-04-15","23:13:29",""
"7715731","15.378","0.003","6.8","0.002","13.574","0.003","90","","90","","90","","1419.4","0.6","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H13 B F2 N2 O2 -","- C17 H13 B F2 N2 O2 -","- C68 H52 B4 F8 N8 O8 -","4","0.5","","Wang, Xiaobai; Rüttger, Franziska; Kretsch, Johannes; Kreyenschmidt, Anne; Herbst-Irmer, Regine; Stalke, Dietmar","Boron bis-(4-methylbenzoxazol-2-yl)-methanide complexes","Dalton Transactions","2024","","","","","10.1039/D4DT00522H","","","0.71073","MoKα","","0.0389","0.0336","","","0.0892","0.0944","","","","","","1.06","","","","has coordinates","291211","2024-04-15","23:13:30",""
"7715752","46.877","0.009","6.963","0.0014","8.814","0.0018","90","","90","","90","","2876.9","1","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H14 Cu N4 S4 -","- C9 H14 Cu N4 S4 -","- C72 H112 Cu8 N32 S32 -","8","1","","Geoghegan, Blaise L.; Bilyj, Jessica K.; Bernhardt, Paul V.; DeBeer, Serena; Cutsail, 3rd, George E","X-ray absorption and emission spectroscopy of N<sub>2</sub>S<sub>2</sub> Cu(II)/(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt00085d","","","0.7108","synchrotron","","0.0582","0.0412","","","0.1015","0.1095","","","","","","1.037","","","","has coordinates","291240","2024-04-16","23:07:09",""
"8000069","28.958","0.005","30.017","0.005","17.204","0.003","90","","90","","90","","14954","5","273","2","200","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Cu18","","- C84 H124 Cu18 N12 O76 P8 -","- C84 H124 Cu18 N12 O76 P8 -","- C336 H496 Cu72 N48 O304 P32 -","4","0.5","","Takuya Shiga; Kazuya Maruyama; Lingqin Han; Hiroki Oshio","Structure and Magnetic Property of an Octadecanuclear Cu(II) Complex","Chemistry Letters","2005","34","12","1648","","10.1246/cl.2005.1648","","","0.71073","MoKα","","0.0913","0.0606","","","0.1725","0.1954","","","","","","1.084","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8000191","11.538","0.004","6.635","0.003","8.259","0.003","90","","90","","90","","632.3","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H6 B F3 N2 -","- C4 H6 B F3 N2 -","- C16 H24 B4 F12 N8 -","4","0.5","","Takao, Koichiro; Ikeda, Yasuhisa","Alternative Route to Metal Halide Free Ionic Liquids","Chemistry Letters","2008","37","7","682","","10.1246/cl.2008.682","","","0.71075","MoKα","","0.0613","0.0536","","","0.1218","0.1274","","","","","","1.046","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8000218","10.339","","5.567","","6.643","","90","","90","","90","","382.353","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li2 I (O H)","","- H I Li2 O -","- H I Li2 O -","- H4 I4 Li8 O4 -","4","0.5","","Gajewski, G.; Mierzwicki, K.; Latajka, Z.","Crystal structure and bonding properties of Li2 I (O H)","Chemical Physics Letters","2003","369","","139","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8000234","8.8767","0.0009","12.64","0.0014","8.5879","0.001","90","","90","","90","","963.58","0.18","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C H6 I3 N Pb -","- C H6 I3 N Pb -","- C4 H24 I12 N4 Pb4 -","4","0.5","","G, Sharada; Mahale, Pratibha; Kore, Bhushan P.; Mukherjee, Somdutta; Pavan, Mysore S.; De, Chandan; Ghara, Somnath; Sundaresan, A.; Pandey, Anshu; Guru Row, Tayur N.; Sarma, D. D.","Is CH3NH3PbI3 Polar?","The journal of physical chemistry letters","2016","7","13","2412","2419","10.1021/acs.jpclett.6b00803","","","0.71073","MoKα","","0.0918","0.0688","","","0.2354","0.2437","","","","","","1.068","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000428","8.4804","0.0002","24.4406","0.0006","7.9107","0.0002","90","","90","","90","","1639.62","0.07","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H20 Br4 N2 Pb -","- C8 H20 Br4 N2 Pb -","- C32 H80 Br16 N8 Pb4 -","4","0.5","","Su, Binbin; Molokeev, Maxim S.; Xia, Zhiguo","Unveiling Mn<sup>2+</sup> Dopant States in Two-Dimensional Halide Perovskite toward Highly Efficient Photoluminescence.","The journal of physical chemistry letters","2020","11","7","2510","2517","10.1021/acs.jpclett.0c00593","","","1.54184","CuKα","","0.0302","0.0299","","","0.0861","0.0863","","","","","","1.095","","","","has coordinates","250119","2020-10-21","18:00:00",""
"8000483","18.589","0.004","7.6364","0.0016","13.203","0.003","90","","90","","90","","1874.2","0.7","296","2","296.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi Cl Cs -","- Bi0.444444 Cl2 Cs0.666667 -","- Bi8 Cl36 Cs12 -","18","2.25","","Tailor, Naveen Kumar; Maity, Partha; Saidaminov, Makhsud I.; Pradhan, Narayan; Satapathi, Soumitra","Dark Self-Healing-Mediated Negative Photoconductivity of a Lead-Free Cs<sub>3</sub>Bi<sub>2</sub>Cl<sub>9</sub> Perovskite Single Crystal.","The journal of physical chemistry letters","2021","12","9","2286","2292","10.1021/acs.jpclett.1c00057","","","0.71073","MoKα","","0.1152","0.0875","","","0.2531","0.2755","","","","","","1.09","","","","has coordinates","263604","2021-04-04","10:03:57",""
"8000502","15.343","0.004","7.8403","0.0014","10.165","0.003","90","","90","","90","","1222.8","0.5","393","2","393","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Br3 N O Pb -","- C4 H12 Br3 N O Pb -","- C16 H48 Br12 N4 O4 Pb4 -","4","0.5","","Huang, Xue-Qin; Zhang, Hua; Wang, Fang; Gan, Tian; Xu, Zhe-Kun; Wang, Zhong-Xia","A Photoluminescent Lead Bromide Hybrid Perovskite Molecular Ferroelastic Semiconductor with Sequential High-<i>T</i><sub>c</sub> Phase Transitions.","The journal of physical chemistry letters","2021","12","21","5221","5227","10.1021/acs.jpclett.1c01473","","","0.71073","MoKα","","0.2539","0.1143","","","0.2484","0.3099","","","","","","1.165","","","","has coordinates","265767","2021-06-04","01:05:49",""
"8100033","5.4171","0.0006","14.774","0.004","5.584","0.002","90","","90","","90","","446.9","0.2","294.1","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca2 Fe1.66 O5 V0.34 -","- Ca2 Fe1.66 O5 V0.34 -","- Ca8 Fe6.64 O20 V1.36 -","4","0.5","","Harringer, N. A.; Presslinger, H.; Klepp, K. O.","Crystal structure of a mixed dicalcium ferrite, Ca~2~Fe~1.66~V~0.34~O~5~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","5","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100084","13.8123","0.0005","9.7705","0.0004","7.1522","0.0004","90","","90","","90","","965.21","0.08","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl5 Cr H2 O Rb2 -","- Cl5 Cr H2 O Rb2 -","- Cl20 Cr4 H8 O4 Rb8 -","4","0.5","","Mi, Jin-Xiao; Zhou, Xi; Zhang, Hui; Mao, Shao-Yu; Zhao, Jing-Tai","Crystal structure of dirubidium aquapentachlorochromate(III), Rb~2~ [CrCl~5~(H~2~O)]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","93","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100087","7.939","0.002","3.8824","0.0011","10.524","0.003","90","","90","","90","","324.39","0.16","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge2 Li Yb -","- Ge2 Li Yb -","- Ge8 Li4 Yb4 -","4","0.5","","Xie, Qin-Xing; Nesper, Reinhard","Crystal structure of ytterbium lithium digermanide, YbLiGe~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","81","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100125","12.102","0.005","6.695","0.004","11.306","0.002","90","","90","","90","","916.1","0.6","296","","296","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 N2 O4 P -","- C6 H11 N2 O4 P -","- C24 H44 N8 O16 P4 -","4","0.5","","Kaabi, Kamel; Khedhiri, Lamia","Crystal structure of 2-amino-4-methylpyridinium dihydrogenphosphate, (C~6~H~9~N~2~)H~2~PO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","255","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100140","12.265","0.001","16.707","0.002","10.044","0.002","90","","90","","90","","2058.1","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H33 I Sn -","- C18 H33 I Sn -","- C72 H132 I4 Sn4 -","4","0.5","","Reuter, Hans","Redetermination of the crystal structure of tricyclohexyltin(IV) iodide, [Sn(C~6~H~11~)~3~]I","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","327","328","","","","","","","","0.0573","","","0.1577","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"8100298","9.7907","0.0008","2.9732","0.0002","4.5171","0.0004","90","","90","","90","","131.491","0.018","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ga H O2 -","- Ga H O2 -","- Ga4 H4 O8 -","4","0.5","","Li, S.-J.; Zheng, C.; Lobring, K. C.","Refinement of the crystal structure of gallium oxide hydroxide, GaO(OH)","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","1","11","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100338","7.7439","0.0015","21.929","0.004","11.013","0.002","90","","90","","90","","1870.2","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H20 Er N O11 -","- C16 H20 Er N O11 -","- C64 H80 Er4 N4 O44 -","4","0.5","","Feng, Yun-Long; Zhao, Guo-Liang","Crystal structure of triaquabis(vanillin-O,O')nitritoerbium(III), Er(C~8~H~7~O~3~)~2~(NO~2)~(H~2~O)~3~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","2","239","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100363","9.263","0.001","3.6654","0.0005","22.092","0.003","90","","90","","90","","750.08","0.17","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ce Ni10 P4 -","- Ce Ni10 P4 -","- Ce4 Ni40 P16 -","4","0.5","","Budnyk, Sergii; Prots, Yurii; Kuz'ma, Yurii; Grin, Yuri","The crystal structure of cerium decanickel tetraphosphide, CeNi~10~P~4~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","2","161","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100419","8.985","0.001","8.521","0.001","4.755","0.001","90","","90","","90","","364.04","0.02","302","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","dialuminum difluorotetraoxogermanate","","","- Al2 F2 Ge O4 -","- Al2 F2 Ge O4 -","- Al8 F8 Ge4 O16 -","4","0.5","","Mathews, M. D.; Tyagi, A. K.; Koehler, Juergen","Crystal structure of dialuminum difluorotetraoxogermanate, Al~2~GeO~4~F~2~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","3","276","276","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100468","13.0147","0.0014","9.1925","0.001","6.151","0.001","90","","90","","90","","735.89","0.16","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C4 H2 S5 -","- C4 H2 S5 -","- C16 H8 S20 -","4","0.5","","Liu, Zhi; Yu, Wen-Tao; Tao, Xu-Tang; Jiang, Min-Hua","Crystal structure of 4,5-methylenedithio-1,3-dithiol-2-thione, C~4~H~2~S~5~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","543","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8100484","7.9443","0.0016","14.346","0.003","16.544","0.003","90","","90","","90","","1885.5","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H22 Co N2 O5 -","- C17 H22 Co N2 O5 -","- C68 H88 Co4 N8 O20 -","4","0.5","","Ling, Hong; Feng, Yun-long","Crystal structure of (aqua)(benzimidazole-N)bis(2,4-pentanedionato-O,O') cobalt(II), C~17~H~22~CoN~2~O~5~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","533","534","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100497","14.182","0.005","9.208","0.003","7.122","0.003","90","","90","","90","","930.1","0.5","294","1","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Na4 Se4 Si -","- Na4 Se4 Si -","- Na16 Se16 Si4 -","4","0.5","","Preishuber-Pflügl, Helga; Klepp, O. Kurt","Crystal structure of tetrasodium tetraselenidosilicate(IV), Na~4~SiSe~4~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","383","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100531","14.3763","0.0008","12.1045","0.0013","11.6138","0.0009","90","","90","","90","","2021","0.3","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H30 Cl2 Ti -","- C20 H30 Cl2 Ti -","- C80 H120 Cl8 Ti4 -","4","0.5","","Stroot, Jörg; Haase, Detlev; Saak, Wolfgang; Beckhaus, Rüdiger","Crystal structure of (eta^5^-pentamethylcyclopentadienyl)(eta^5^-1- (2,2-dimethylpropyl)cyclopentadienyl)titaniumdichloride, C~20~H~30~Cl~2~Ti","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","1","49","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100562","6.7837","0.0014","13.178","0.003","15.06","0.005","90","","90","","90","","1346.3","0.6","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C5 H19 Ca0.18 Cl2 N O6 Sr0.82 -","- C5 H19 Ca0.186 Cl2 N O6 Sr0.814 -","- C20 H76 Ca0.744 Cl8 N4 O24 Sr3.256 -","4","0.5","","Andrade, L. C. R.; Costa, M. M. R.; Paixão, J. A.; Santos, M. L.; Agostinho Moreira, J.; Chaves, M. R.; Almeida, A.","Crystal structure of calcium doped strontium betaine chloride tetrahydrate, (C~5~NO~2~H~11~)(Ca~0.18~Sr~0.82~)Cl~2~ · 4H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","1","79","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100581","10.4018","0.0005","4.1843","0.0004","10.2021","0.0005","90","","90","","90","","444.04","0.04","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C Cl Hg N S -","- C0.5 Cl0.5 Hg0.5 N0.5 S0.5 -","- C2 Cl2 Hg2 N2 S2 -","4","0.5","","Mosset, Alain; Bagieu-Beucher, Muriel","Redetermination of the crystal structure of mercury chlorothiocyanate, HgClSCN","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","1","1","2","10.1524/ncrs.2002.217.jg.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100727","9.9398","0.0019","11.667","0.002","9.9912","0.0017","90","","90","","90","","1158.7","0.4","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cs3 S4 Sb -","- Cs3 S4 Sb -","- Cs12 S16 Sb4 -","4","0.5","","So, Won-Wook; Martin, Benjamin R.; Dorhout, Peter K.","Crystal structure of caesium tetrathioantimonate(V), Cs~3~SbS~4~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","3","302","302","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100734","10.6694","0.0014","20.317","0.003","6.1833","0.001","90","","90","","90","","1340.3","0.3","90","2","90","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cl8 O2 Si3 -","- Cl8 O2 Si3 -","- Cl32 O8 Si12 -","4","0.5","","Binnewies, M.; Borrmann, H.","Crystal structure of catena-octachlorotrisiloxane, Si~3~O~2~Cl~8~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","3","324","324","","","","","","","","0.0234","","","0.055","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100756","10.775","0.006","14.715","0.007","6.165","0.002","90","","90","","90","","977.5","0.8","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Diammonium hydrogencitrate","","","- C6 H14 N2 O7 -","- C6 H14 N2 O7 -","- C24 H56 N8 O28 -","4","0.5","","Andrade, L.C.R.; Costa, M.M.R.; Paixão, J.A.; Santos, M.L.; Agostinho Moreira, J.; Chaves, M.R.; Almeida, A.","Crystal structure of diammonium hydrogen-2-hydroxy-1,2,3-propanetricarboxylate, (NH~4~)~2~(C~6~H~6~O~7~)","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","537","538","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100787","9.954","0.003","12.617","0.003","9.716","0.002","90","","90","","90","","1220.3","0.5","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 H12 S6 -","- C6 S6 -","- C24 S24 -","4","0.5","","Mahjoub, Ahmed; Zantour, Hédi; Masson, Serge","Crystal structure of dithioacetic acid trimers, (CH~3~C(SH)S)~3~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","597","598","","","","","","","","0.0346","","","0.0968","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"8100813","11.1699","0.0004","7.0882","0.0002","9.3003","0.0004","90","","90","","90","","736.35","0.05","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","RbGaCl4","","","- Cl4 Ga Rb -","- Cl4 Ga Rb -","- Cl16 Ga4 Rb4 -","4","0.5","","Mi, Jin-Xiao; Zhang, Hui; Deng, Jin-Feng; Mao, Shao-yu; Zhao, Jing-Tai","Crystal structure of rubidium tetrachlorogallate, RbGaCl~4~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","1","479","480","10.1524/ncrs.2002.217.1.479","","","","","","","","","","","","","","","","","","","","","has coordinates","209540","2020-10-21","18:00:00",""
"8100916","8.626","0.002","5.86","0.001","10.759","0.002","90","","90","","90","","543.85","0.19","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","dicaesium hydrogenphosphide","","","- Cs2 H P -","- Cs2 P -","- Cs8 P4 -","4","0.5","","Somer, Mehmet; Carrillo-Cabrera, Wilder; Grin, Yuri; Peters, Karl; von Schnering, Hans Georg","Crystal structure of dicaesium hydrogenphosphide, Cs~2~[PH]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","42","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","190384","2020-10-21","18:00:00",""
"8101047","9.3016","0.0008","10.626","0.0009","12.1986","0.001","90","","90","","90","","1205.7","0.18","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H19 Al Cl2 N2 -","- C6 H19 Al Cl2 N2 -","- C24 H76 Al4 Cl8 N8 -","4","0.5","","Torrison, L.; Groy, T. L.; Kouvetakis, J.","Crystal structure of bis(trimethylamine) dichlorodeuteroalane, [N(CH~3~)~3~]~2~Cl~2~DAl","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","467","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101140","9.3203","0.0012","6.843","0.0009","12.0806","0.0015","90","","90","","90","","770.49","0.17","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","dipotassium tetrathiomolybdate","","","- K2 Mo S4 -","- K2 Mo S4 -","- K8 Mo4 S16 -","4","0.5","","Emirdag-Eanes, Mehtap; Ibers, James A.","Crystal structure of dipotassium tetrathiomolybdate, K~2~MoS~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","484","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101141","9.7097","0.0006","11.3627","0.0007","9.6824","0.0006","90","","90","","90","","1068.24","0.11","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cs3 S4 V -","- Cs3 S4 V -","- Cs12 S16 V4 -","4","0.5","","Emirdag-Eanes, Mehtap; Ibers,James A.","Crystal structure of tricesium tetrathiovanadate(V), Cs~3~VS~4~, and of trirubidium tetrathiovanadate(V), Rb~3~VS~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","489","490","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101142","9.396","0.0008","10.8892","0.0009","9.3639","0.0008","90","","90","","90","","958.07","0.14","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Trirubidium tetrathiovanadate(V)","","","- Rb3 S4 V -","- Rb3 S4 V -","- Rb12 S16 V4 -","4","0.5","","Emirdag-Eanes, Mehtap; Ibers, James A.","Crystal structure of tricesium tetrathiovanadate(V), Cs~3~VS~4~, and of trirubidium tetrathiovanadate(V), Rb~3~VS~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","489","490","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101144","6.398","0.002","10.685","0.003","12.966","0.002","90","","90","","90","","886.4","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As3 O Sr3 Ta -","- As3 O Sr3 Ta -","- As12 O4 Sr12 Ta4 -","4","0.5","","Derrien, Gaëlle; Tillard, Monique; Belin, Claude","Crystal structure of strontium tantalum arsenide oxide, Sr~3~TaAs~3~O, containing the pseudo-tetrahedral anion TaAs~3~O^6‒^","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","499","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101150","21.707","0.004","4.4827","0.0009","18.456","0.004","90","","90","","90","","1795.9","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca8 Li Mg2 Si8 -","- Ca8 Li0.969 Mg2.031 Si8 -","- Ca32 Li3.876 Mg8.124 Si32 -","4","0.5","","Zürcher, Fabio; Nesper, Reinhard","Crystal structure of octacalcium dimagnesium monolithium octasilicide, Ca~8~Mg~2.0~Li~1.0~Si~8~, and of octacalcium dimagnesium monolithium octagermanide, Ca~8~Mg~1.82~Li~1.18~Ge~8~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","507","509","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101151","21.998","0.002","4.4738","0.0008","18.56","0.003","90","","90","","90","","1826.6","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca8 Ge8 Li1.18 Mg1.82 -","- Ca8 Ge8 Li1.18 Mg1.82 -","- Ca32 Ge32 Li4.72 Mg7.28 -","4","0.5","","Zürcher, Fabio; Nesper, Reinhard","Crystal structure of octacalcium dimagnesium monolithium octasilicide, Ca~8~Mg~2.0~Li~1.0~Si~8~, and of octacalcium dimagnesium monolithium octagermanide, Ca~8~Mg~1.82~Li~1.18~Ge~8~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","507","509","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101229","7.691","0.004","11.403","0.006","12.471","0.007","90","","90","","90","","1094","2","294","","294","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Fe2 Rb3 Se4 -","- Fe2 Rb3 Se4 -","- Fe8 Rb12 Se16 -","4","0.5","","Klepp, Kurt O.; Pantschov, Silvio; Boller, Herbert","Crystal structure of mixed-valent trirubidium tetraselenidodiferrate, Rb~3~Fe~2~Se~4~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","5","6","","","","","","","","0.052","","","0.048","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"8101236","8.5897","0.0017","20.792","0.004","11.28","0.002","90","","90","","90","","2014.6","0.7","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Di-[S-(2-aminoethyl)thiouronium]tribromocuprate dibromide","","","- C6 H22 Br5 Cu N6 S2 -","- C6 H22 Br5 Cu N6 S2 -","- C24 H88 Br20 Cu4 N24 S8 -","4","0.5","","Blachnik, Roger; Wiest, Thomas; Eickmeier, Henning; Dülmer, Ansgar","Crystal structure of di-[<i>S</i>-(2-aminoethyl)thiouronium] tribromocuprate dibromide, [C~3~H~11~N~3~S]~2~[CuBr~3~][Br]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","2","245","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101255","17.007","0.001","21.319","0.001","18.343","0.001","90","","90","","90","","6650.7","0.6","291","1","291","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C44 H90 F6 K2 O17 Sn4 -","- C44 H80 F6 K2 O17 Sn4 -","- C176 H320 F24 K8 O68 Sn16 -","4","0.5","","Altmann, Reiner; Jurkschat, Klaus; Schürmann, Markus","Crystal structure of bis[potassium 18-crown-6-1,2-bis(dimethylfluorostannyl) benzene fluoride] pentahydrate, 2{[K·18-Crown-6]^+^[O-C~6~H~4~(SnMe~2~F) ~2~·F]^‒^} · 5H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","2","309","311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101303","11.677","0.001","3.647","0.0004","13.911","0.001","90","","90","","90","","592.41","0.09","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Calcium-strontium-cyanamide-nitride","","","- C Ca3.2 N4 Sr0.8 -","- C Ca3.2 N4 Sr0.799 -","- C4 Ca12.8 N16 Sr3.196 -","4","0.5","","Höhn, Peter; Niewa, Rainer; Kniep, Rüdiger","Crystal structure of tetra(calcium/strontium) cyanamide dinitride, Ca~4‒x~Sr~x~[CN~2~]N~2~ (x = 0.80)","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","3","323","326","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101364","21.491","0.003","6.89","0.0008","7.8399","0.0008","90","","90","","90","","1160.9","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C48 H48 N8 O16 -","4","0.5","","Peters, Karl; Peters, Eva-Maria; Cohrs, Carsten; Reuchlein, Horst; Christl, Manfred","Crystal structure of 6,7-dihydro-5,7-methano-5H-cyclopenta[d]pyridazin- 1,4-dicarboxylic acid dimethyl ester, C~12~H~12~N~2~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","601","602","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101455","11.3987","0.0008","4.0235","0.0003","26.9993","0.0014","90","","90","","90","","1238.26","0.14","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","praseodymium(III) nitride sulfide chloride (6/3/4/1)","","","- Cl N3 Pr6 S4 -","- Cl N3 Pr6 S4 -","- Cl4 N12 Pr24 S16 -","4","0.5","","Meyer, Monika; Schleid, Thomas","Crystal structure of hexapraseodymium(III) trinitride tetrasulfide chloride, Pr~6~N~3~S~4~Cl","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","1","23","24","","","","","","","","0.0373","","","0.0787","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101599","14.607","0.003","4.518","0.0009","18.634","0.004","90","","90","","90","","1229.7","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ge20 Li2.1 Mg17.9 Sr12 -","- Ge20 Li2.08 Mg17.92 Sr12 -","- Ge20 Li2.08 Mg17.92 Sr12 -","1","0.125","","Zürcher, Fabio; Nesper, Reinhard","Crystal structure of dodecastrontium octadecamagnesium dilithium eicosagermanide, Sr~12~Mg~17.9~Li~2.1~Ge~20~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","411","412","","","","","","","","0.037","","","0.0996","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101614","8.099","0.006","4.968","0.003","9.22","0.006","90","","90","","90","","370.97","0.12","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca0.75 Si Sr1.25 -","- Ca0.752 Si Sr1.248 -","- Ca3.008 Si4 Sr4.992 -","4","0.5","","Zürcher, Fabio; Nesper, Reinhard","Crystal structure of di(strontium, calcium) monosilicide, Sr~1.25~Ca~0.75~Si","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","427","427","","","","","","","","0.0236","","","0.048","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101624","6.761","0.001","4.126","0.001","7.893","0.002","90","","90","","90","","220.18","0.08","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Al Rh Yb -","- Al Rh Yb -","- Al4 Rh4 Yb4 -","4","0.5","","Cardoso Gil, Raul H.; Trovarelli, Octavio; Geibel, Christoph; Grin, Yuri","Crystal structure of ytterbium-rhodium-aluminium [1:1:1], YbRhAl","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","459","459","","","","","","","","0.0164","","","0.0355","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101715","7.7843","0.0016","21.977","0.004","11.129","0.002","90","","90","","90","","1903.9","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","triaquabis(vanillin-O,O')nitritogadolinium(III)","","- C16 H20 Gd N O11 -","- C16 H20 Gd N O11 -","- C64 H80 Gd4 N4 O44 -","4","0.5","","G.-L. Zhao; Y.-L. Feng","Crystal structure of triaquabis(vanillin-O,O')nitritogadolinium(III), Gd(H~2~O)~3~(C~8~H~7~O~3~)~2~(NO~2~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","99","100","","","","0.71073","MoKα","","0.0197","0.0183","","","0.0476","0.0483","","","","","","1.043","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102031","13.75","0.003","7.288","0.0015","15.14","0.003","90","","90","","90","","1517.2","0.5","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","pentamethylpyrylium triiodide","","- C10 H15 I3 O -","- C10 H15 I3 O -","- C40 H60 I12 O4 -","4","0.5","","Guo, S.; Hauptmann, R.; Beyer, C.; Kollmann, T.; Schneider, J. J.","Crystal structure of pentamethylpyrylium triiodide, [(CH~3~)~5~C~5~O] [I~3~]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","393","394","","","","0.71073","MoKα","","0.0386","0.0313","","","0.0642","0.0713","","","","","","1.302","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102045","22.9226","0.0006","27.208","0.0008","6.555","0.0001","90","","90","","90","","4088.21","0.17","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","bis(5-ammonioisophthalic acid) sulfate dihydrate","","- C16 H20 N2 O14 S -","- C16 H20 N2 O14 S -","- C128 H160 N16 O112 S8 -","8","1","","Wang, G.-X.; Zhang, Q.-W.","Crystal structure of bis(5-ammonioisophthalic acid) sulfate dihydrate, (C~8~H~8~NO~4~)~2~[SO~4~] · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","453","454","","","","0.71073","MoKα","","0.1382","0.0829","","","0.1515","0.1765","","","","","","1.224","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102108","6.002","0.0009","6.357","0.0011","12.288","0.002","90","","90","","90","","468.85","0.13","191","2","191","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C3 H5 N3 O -","- C1.5 H2.5 N1.5 O0.5 -","- C12 H20 N12 O4 -","8","1","","Irrgang, T.; Friedrich, D.; Clemente, R.; Kutlescha, K.; Glatz, G.; Kempe, R.","Crystal structure of 2-amino-5-methyl-1,3,4-oxadiazole, (CH~3~)C~2~N~2~O (NH~2~)","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","2","151","152","","","","0.71069","MoKα","","0.0578","0.0543","","","0.19","0.1931","","","","","","1.175","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102273","19.848","0.002","12.904","0.001","5.537","0.001","90","","90","","90","","1418.1","0.3","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C11 H16 S5 -","- C11 H16 S5 -","- C44 H64 S20 -","4","0.5","","Fatemeh Darviche; Felora Heshmatpour; Zeynab Emdadi; Hamid Reza Khavasi; Bernhard Neumüller","Crystal structure of 5,6,7,8,9,10,11,12-octahydro[1,3] dithiolo[4,5-b][1,4] dithiacyclodecine-2-thione, C11H16S5","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","3","235","","","","","0.71073","MoKα","","0.0932","0.0398","","","0.0709","0.0811","","","","","","0.824","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8102367","14.1852","0.0018","21.949","0.002","12.1345","0.0014","90","","90","","90","","3778.1","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H30 La2 N6 O18 -","- C36 H30 La2 N6 O18 -","- C144 H120 La8 N24 O72 -","4","0.5","","Chongchen Wang","Crystal structure of poly[tetraaqua(2,2'-bipyridine-4,4'-dicarboxylato)-bis(2,2'-bipyridyl-4,4'-dicarboxylato)dilanthanum(III) dihydrate], La2(C12H6O4N2)3(H2O)4 · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","4","475","","","","","0.71073","MoKα","","0.0356","0.0317","","","0.0864","0.0877","","","","","","1.078","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8102400","16.8546","0.0004","14.4139","0.0006","12.1421","0.0003","90","","90","","90","","2949.81","0.16","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,1-Bis(pentamethylcyclopentadienyl)-4,5- bis(trimethylsilyl)-1-hafnafuran-3-one. C~29~H~48~HfO~2~Si~2~","","- C29 H48 Hf O2 Si2 -","- C29 H49 Hf O2 Si2 -","- C116 H196 Hf4 O8 Si8 -","4","0.5","","Torsten Beweries; Vladimir V. Burlakov; Uwe Rosenthal; Anke Spannenberg","Crystal structure of 1,1-bis(pentamethylcyclopentadienyl)-4,5-bis(trimethylsilyl)-1-hafnafuran-3-one, Hf(C10H15)2(Me3SiC2SiMe3CO2)","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","1","93","","","","","0.71073","MoKα","","0.0311","0.0203","","","0.0397","0.0409","","","","","","0.923","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102475","9.4697","0.0013","14.452","0.002","13.4624","0.0019","90","","90","","90","","1842.4","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,2-bis(4-pyridyl)ethane hydrogen methyl ether-perchlorate, (C~12~H~12~N~2~)[(C~3~H~7~O)^+^(ClO~4~)^-^]'","","- C15 H21 Cl N2 O5 -","- C15 H21 Cl N2 O5 -","- C60 H84 Cl4 N8 O20 -","4","0.5","","Ping Liu; Lian Zhaoxun; Yuhuan Chen","Crystal structure of hydrogen methyl ether perchlorate — 1,3-bis(4-pyridyl)propane (1:1), [C2H7O][ClO4] · C13H14N2","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","4","571","","","","","0.71073","MoKα","","0.1035","0.0772","","","0.2499","0.2809","","","","","","1.118","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102495","13.3181","0.0012","14.709","0.0009","15.3689","0.001","90","","90","","90","","3010.7","0.4","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C26 H23 Cl2 F12 Fe2 N P2 -","- C26 H23 Cl2 F12 Fe2 N P2 -","- C104 H92 Cl8 F48 Fe8 N4 P8 -","4","0.5","","Michael Hummel; Volker Kahlenberg; Gerhard Laus; Peter Jaitner; Herwig Schottenberger","Crystal structure of [bis(h5-cyclopentadienyl)-(h6:h6)-E-4,4'-dichlorostilbene]diiron(II) bis(hexafluorophosphate) — acetonitrile (1:1), [(C5H5)2(C14H10Cl2)Fe2][PF6]2 · CH3CN","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","3","503","","","","","0.71069","MoKα","","0.0724","0.0577","","","0.129","0.1361","","","","","","1.095","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102632","21.618","0.0013","21.955","0.0013","11.834","0.0007","90","","90","","90","","5616.7","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Benzene-1,3-dicarboxylato-<i>m</i>~2~O)- hydroxy-<i>m</i>~2~O-bis[monoaqua-(1,12,15-triaza-3,4:9,10- dibenzo-5,8-dioxacyclo-heptadecane-<i>κ</i>^3^N,N',N'')cadmium(II)]","","- C49 H76 Cd2 N6 O20 -","- C49 H72 Cd2 N6 O20 -","- C196 H288 Cd8 N24 O80 -","4","0.5","","Hong-Ye Bai; Dao-Cheng Xia; Jian-Fang Ma","Crystal structure of (hydroxy-m2O)-(benzene-1,3,5-tricarboxylato-m2O)-bis[monoaqua-(1,12,15-triaza-3,4:9,10-dibenzo-5,8-dioxacycloheptadecane- k3N,N',N'')cadmium(II)] heptahydrate, Cd2(OH)(C9H3O6)(H2O)2(C20H27N3O2)2 · 7H2O","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","1","108","","","","","0.71069","MoKα","","0.0446","0.0317","","","0.0829","0.0899","","","","","","1.032","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102655","5.597","0.002","8.7745","0.0013","12.5721","0.0018","90","","90","","90","","617.4","0.3","298","2","298","2","","","","","","","synthesised by authors, see text","4","P n m a","-P 2ac 2n","62","","Caesium(I) hydrogen maleate","","- C4 H3 Cs O4 -","- C4 H3 Cs O4 -","- C16 H12 Cs4 O16 -","4","0.5","","Kutalmis Guven; Gamze Bakir","Crystal structure of caesium(I) hydrogen maleate, Cs(C4H3O4)","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","1","197","","","","","0.71069","MoKα","","0.0806","0.0288","","","0.0653","0.08","","","","","","0.964","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102693","12.9207","0.0009","8.0332","0.0006","9.241","0.0006","90","","90","","90","","959.17","0.12","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","[(2,3,5,6-η)-Bicyclo[2.2.1]hepta-2,5-diene]diiodoplatinum(II)","","- C7 H8 I2 Pt -","- C7 H8 I2 Pt -","- C28 H32 I8 Pt4 -","4","0.5","","Kwang Ha","Crystal structure of [(2,3,5,6-h)-bicyclo[2.2.1]hepta-2,5-diene]diiodoplatinum(II), PtI2(C7H8)","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","2","319","","","","","0.71073","MoKα","","0.0417","0.0271","","","0.0608","0.0778","","","","","","1.123","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102751","12.701","0.003","10.705","0.002","9.942","0.002","90","","90","","90","","1351.8","0.5","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","monohydrate-bis[(diammine)-oxalatplatinum(II)]dinitrate","","- C2 H14 N6 O10 Pt2 -","- C2 H14 N6 O11 Pt2 -","- C8 H56 N24 O44 Pt8 -","4","0.5","","Dan Chen; Ai-Guo Zhong; Guo-Liang Dai; Jun-Yong Wu; Shao-Ping Pu","Crystal structure of monoaqua(tetraammine)oxalatodiplatinum(II) dinitrate, [Pt2(H2O)(C2O4)(NH3)4][NO3]2","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","3","425","","","","","0.71073","MoKα","","0.0282","0.0229","","","0.0544","0.0572","","","","","","1.029","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102886","8.993","0.008","5.675","0.006","7.349","0.004","90","","90","","90","","375.1","0.6","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","barium selenate","barium selenate","","- Ba O4 Se -","- Ba O4 Se -","- Ba4 O16 Se4 -","4","0.5","","A. Andara; M. A. Salvadó; Á. Fernández-González; S. García-Granda; M. Prieto","Crystal structure of barium selenate, BaSeO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","5","6","","","","0.71073","MoKα","","0.0452","0.0416","","","0.1137","0.1161","","","","","","1.203","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102889","9.393","0.004","10.954","0.005","9.578","0.004","90","","90","","90","","985.5","0.7","571","2","571","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tripotassium tetraselenidophosphate","","- K3 P Se4 -","- K3 P Se4 -","- K12 P4 Se16 -","4","0.5","","B. C. Chan; P. L. Feng; Z. Hulvey; P. K. Dorhout","Crystal structure of tripotassium tetraselenidophosphate, K~3~PSe~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","11","11","","","","0.71073","MoKα","","0.0628","0.0294","","","0.0546","0.0629","","","","","","0.934","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102893","9.277","0.001","10.935","0.001","9.251","0.001","90","","90","","90","","938.46","0.17","153","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","trirubidium tetrathiophosphate","","- P Rb3 S4 -","- P Rb3 S4 -","- P4 Rb12 S16 -","4","0.5","","L.-B. Wu; F.-Q. Huang","Crystal structure of trirubidium tetrathiophosphate, Rb~3~PS~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","122","122","","","","0.71073","MoKα","","","0.027","","0.046","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102896","18.1852","0.001","6.8085","0.0005","6.3518","0.0005","90","","90","","90","","786.44","0.1","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","cesium lead tetrathiophosphate","","- Cs P Pb S4 -","- Cs P Pb S4 -","- Cs4 P4 Pb4 S16 -","4","0.5","","I. Belkyal; M. El Azhari; Y.-D. Wu; W. Bensch; K.-F. Hesse; W. Depmeier","Crystal structure of cesium lead tetrathiophosphate, CsPbPS~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","127","128","","","","0.71073","MoKα","","0.0482","0.0392","","","0.0947","0.101","","","","","","1.027","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102908","10.166","0.001","4.255","0.001","9.589","0.001","90","","90","","90","","414.78","0.11","293","2","293","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","","lead chloride thiocyanate","","- C Cl N Pb S -","- C Cl N Pb S -","- C4 Cl4 N4 Pb4 S4 -","4","0.5","","A. Gacemi; D. Benbertal; I. Gautier-Luneau; A. Mosset","Crystal structure of lead chloride thiocyanate, PbCl(SCN)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","309","312","","","x-ray","0.56085","AgKα","","0.0293","0.0234","","","0.062","0.0671","","","","","","0.889","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102916","5.9536","0.0014","3.5964","0.001","6.856","0.002","90","","90","","90","","146.8","0.07","293","","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Co Si V -","- Co Si V -","- Co4 Si4 V4 -","4","0.5","","Conrad, M.; Herrmann, B.; Harbrecht, B.","Refinement of the crystal structure of monovanadium monocobalt monosilicide, VCoSi","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","319","320","","","","0.71073","MoKα","","0.037","0.0252","","","0.0494","0.0517","","","","","","1.147","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102927","8.305","0.0017","14.579","0.003","7.059","0.0014","90","","90","","90","","854.7","0.3","295","2","295.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","dilanthanum tris(monohydrogenphosphate(III)) La~2~(HPO~3~)~3~","","- H3 La2 O9 P3 -","- H3 La2 O9 P3 -","- H12 La8 O36 P12 -","4","0.5","","Ewald, B.; Prots, Yu.; Kniep, R.","Crystal structure of dilanthanum tris(monohydrogenphosphate(III)), La~2~(HPO~3~)~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","533","534","","","","0.7107","MoKα","","0.059","0.042","","","0.066","0.069","","","","","","1.16","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102938","13.852","0.003","23.055","0.005","7.34","0.002","90","","90","","90","","2344.1","1","293","2","295.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Al23 Co10.14 Si8.72 -","- Al23 Co10.1401 Si8.7198 -","- Al92 Co40.5604 Si34.8792 -","4","0.5","","Richter, K. W.; Prots, Yu.","Crystal structure of cobalt aluminum silicide, Co~10+x~Al~23~Si~9- 2x~ (x = 0.14), the φ phase in the Co-Al-Si system","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","112","114","","","","0.7107","MoKα","","","0.035","","","","0.081","","","","","","1.145","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102955","5.2219","0.0002","6.6171","0.0002","4.3918","0.0001","90","","90","","90","","151.754","0.008","293","2","295.15","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- B Ni3 -","- B1.007 Ni2.999 -","- B4.028 Ni11.996 -","4","0.5","","Gumeniuk, R.; Borrmann, H.; Leithe-Jasper, A.","Refinement of the crystal structures of trinickel boron, Ni~3~B, and tripalladium boron, Pd~3~B","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","425","426","","","","0.5608","AgKα","","","0.0217","","","","0.0363","","","","","","1.203","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102966","10.022","0.002","5.2875","0.0011","7.1714","0.0014","90","","90","","90","","380.02","0.13","153","2","152","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","lead vanadium oxychloride","","- Cl O3 Pb V -","- Cl O3 Pb V -","- Cl4 O12 Pb4 V4 -","4","0.5","","Sahin, Aytac; Emirdag-Eanes, Mehtap","Crystal structure of lead(II) trioxovanadate(V) chloride, Pb[VO~3~] Cl","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","3","159","160","","","","0.71073","MoKα","","0.0359","0.035","","","0.104","0.1049","","","","","","1.155","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102983","5.4829","0.0008","4.056","0.0004","7.7863","0.0008","90","","90","","90","","173.16","0.04","295","2","295.15","","","","","","","","","2","P n m a","-P 2ac 2n","62","","dipalladium gallium, Pd2Ga","","- Ga Pd2 -","- Ga Pd2 -","- Ga4 Pd8 -","4","0.5","","Kirill Kovnir; Marcus Schmidt; Christian Waurisch; Marc Armbrüster; Yurii Prots; Yuri Grin","Refinement of the crystal structure of dipalladium gallium, Pd2Ga","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","1","7","","","","","0.7107","MoKα","","","0.022","","","","0.029","","","","","","1.02","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103004","7.3172","0.0004","4.1731","0.0005","15.421","0.0014","90","","90","","90","","470.89","0.08","295.15","","295.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cerium Platinum Phosphide","","- Ce P2 Pt4 -","- Ce P2 Pt4 -","- Ce4 P8 Pt16 -","4","0.5","","Pavel S. Chizhov; Yurii Prots; Evgeny V. Antipov","Crystal structure of cerium platinum phosphide, CePt4P2","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","4","331","","","","","0.7107","Molybdenum","","0.03","0.023","","","0.0207","0.022","","","","1.56","1.56","1.53","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8103005","8.9326","0.0004","6.7262","0.0002","11.5335","0.0005","90","","90","","90","","692.96","0.05","295","2","295.15","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ba2 Si4 -","- Ba2 Si4 -","- Ba8 Si16 -","4","0.5","","Thorsten Goebel; Yurii Prots; Frank Haarmann","Refinement of the crystal structure of dibarium tetrasilicide, Ba2Si4","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","1","7","","","","","0.7107","MoKα","","0.026","0.025","","","0.044","0.044","","","","","","1.264","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103032","5.7804","0.0012","8.025","0.002","5.6077","0.0011","90","","90","","90","","260.13","0.1","298","","298","","","","","","","","synthetic","3","P n m a","-P 2ac 2n","62","Praseodymium orthoscandate perowskite","Praseodymium orthoscandate","","- O3 Pr Sc -","- O3 Pr Sc -","- O12 Pr4 Sc4 -","4","0.5","","Thorsten M. Gesing; Reinhard Uecker; J.-Christian Buhl","Refinement of the crystal structure of praseodymium orthoscandate, PrScO3","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","3","365","","","","","0.71073","MoKα","","0.0255","0.0246","","0.0606","0.06","","","","1.112","","","1.121","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103045","6.597","0.0002","3.9017","0.0001","7.5395","0.0002","90","","90","","90","","194.063","0.009","295","2","295","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Pt Si Zr -","- Pt Si Zr -","- Pt4 Si4 Zr4 -","4","0.5","","Sarah-Virginia Ackerbauer; Roman Gumeniuk; Yurii Prots; Horst Borrmann; Franz Weitzer; Andreas Leithe-Jasper","Crystal structures of zirconium-platinum-silicon (1:1:1), ZrPtSi, zirconium-platinum-germanium (1:1:1), ZrPtGe and titanium-platinum-silicon (1:1:1), TiPtSi","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","1","7","","","","","0.56088","AgKα","","0.0344","0.028","","","0.0691","0.0845","","","","","","1.297","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103046","6.6581","0.0002","3.9752","0.0001","7.6648","0.0002","90","","90","","90","","202.866","0.01","295","2","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge Pt Zr -","- Ge Pt Zr -","- Ge4 Pt4 Zr4 -","4","0.5","","Sarah-Virginia Ackerbauer; Roman Gumeniuk; Yurii Prots; Horst Borrmann; Franz Weitzer; Andreas Leithe-Jasper","Crystal structures of zirconium-platinum-silicon (1:1:1), ZrPtSi, zirconium-platinum-germanium (1:1:1), ZrPtGe and titanium-platinum-silicon (1:1:1), TiPtSi","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","1","7","","","","","0.56087","AgKα","","0.022","0.0177","","","0.0298","0.0305","","","","","","1.185","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103063","5.3388","0.0004","7.1542","0.0007","12.4116","0.0011","90","","90","","90","","474.06","0.07","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca2 F Na O4 Si -","- Ca2 F Na O4 Si -","- Ca8 F4 Na4 O16 Si4 -","4","0.5","","Krüger, Hannes; Kahlenberg, Volker","Ca2NaSiO4F: a new monoclinic polymorph","Zeitschrift für Kristallographie - Crystalline Materials","2008","223","6","382","388","10.1524/zkri.2008.0038","","","0.71073","MoKα","","0.0282","0.0251","","","0.032","0.0329","","","","2.51","2.51","2.47","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8103109","14.829","","18.184","","9.493","","90","","90","","90","","2559.79","","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","(4,4'-bis(imidazol-1-ylmethyl)bibenzene) -(5-hydroxyisophthalato) zinc (II)","","- C28 H22 N4 O5 Zn -","- C28 H22 N4 O5 Zn -","- C112 H88 N16 O20 Zn4 -","4","0.5","","Dao-Cheng Xia; Shuai Shi; Ji-Huan Yao; Hui-Xuan Ma; Chang-Qing Han; Li-Ping Wang; Qing-Yang Liu","Crystal structure of (4,4'-bis(imidazol-1-ylmethyl)biphenyl)-(5-hydroxyisophthalato)zinc(II), Zn(C20H18N4)(C8H4O5)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","29","","","","","0.71073","MoKα","","0.0668","0.0353","","","0.0893","0.094","","","","","","0.898","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103149","8.4446","0.001","10.9575","0.0013","12.084","0.002","90","","90","","90","","1118.2","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","trimethylsulfoxonium phthalimide","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C44 H52 N4 O12 S4 -","4","0.5","","Eyad Mallah; Qutaiba Abu-Salem; Wael Abu Dayyih; Mohammed Hamad; Manfred Steimann; Caecilia Maichle-Mössmer","Crystal structure of trimethylsulfoxonium phthalimide, [C3H9SO][C8H4NO2]","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","345","","","","","0.71073","MoKα","","0.0663","0.054","","","0.1038","0.108","","","","","","1.235","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103185","14.312","0.004","10.604","0.003","6.839","0.002","90","","90","","90","","1037.9","0.5","290","1","290","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dipotassium tricadmium(II) tetraselenide","","- Cd3 K2 Se4 -","- Cd3 K2 Se4 -","- Cd12 K8 Se16 -","4","0.5","","Young-Tae Kim; Hoseop Yun; Kang-Woo Kim","Refinement of the crystal structure of dipotassium tricadmium(II) tetraselenide, K2Cd3Se4","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","2","157","","","","","0.7107","MoKα","","0.0326","0.0268","","","0.0637","0.0654","","","","","","1.137","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103456","9.207","","5.7217","","7.3649","","90","","90","","90","","387.981","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tl (B F4)","","- B F4 Tl -","- B F4 Tl -","- B4 F16 Tl4 -","4","0.5","","Lutz, H.D.; Moeller, H.","Crystal structure of thallium tetrafluoroborate","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","285","286","10.1524/zkri.1992.201.3-4.285","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103501","10.2001","0.0006","5.9199","0.0004","4.69","0.002","90","","90","","90","","283.2","0.12","","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Co Li O4 P -","- Co Li O4 P -","- Co4 Li4 O16 P4 -","4","0.5","","Kubel, F.","Crystal structure of lithium cobalt double orthophosphate, LiCoPO4","Zeitschrift für Kristallographie","1994","209","9","755","","10.1524/zkri.1994.209.9.755","","x-ray","1.5418","CuKα","","","0.03","","","0.032","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103539","7.685","","6.998","","9.549","","90","","90","","90","","513.542","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca2 Al F7","","- Al Ca2 F7 -","- Al Ca2 F7 -","- Al4 Ca8 F28 -","4","0.5","","Domesle, R.; Hoppe, R.","The crystal structure of Ca2 Al F7","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","317","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103590","10.63","","9.489","","11.143","","90","","90","","90","","1123.97","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sb4 S5 Cl2","","- Cl2 S5 Sb4 -","- Cl2 S5 Sb4 -","- Cl8 S20 Sb16 -","4","0.5","","Schulte-Kellinghaus, M.; Kraemer, V.","Die Kristallstruktur des Antimon-Sulfid-Chlorids Sb4 S5 Cl2","Zeitschrift fuer Kristallographie (149,1979-)","1980","152","","47","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","146160","2020-10-21","18:00:00",""
"8103601","7.7508","","3.9955","","9.992","","90","","90","","90","","309.435","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Bi S Cl","","- Bi Cl S -","- Bi Cl S -","- Bi4 Cl4 S4 -","4","0.5","","Voutsas, G.P.; Rentzeperis, P.J.","The crystal structure of the paraelectric bismuth thiochloride Bi S Cl","Zeitschrift fuer Kristallographie (149,1979-)","1980","152","","109","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103614","11.608","","6.562","","8.51","","90","","90","","90","","648.221","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 (Mo O4)","","- Cs2 Mo O4 -","- Cs2 Mo O4 -","- Cs8 Mo4 O16 -","4","0.5","","Gonschorek, W.; Hahn, T.","Die Kristallstruktur des Caesiummolybdats, Cs2 Mo O4","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1973","138","","167","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103657","7.445","","5.573","","10.306","","90","","90","","90","","427.606","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Eu2 In -","- Eu2 In -","- Eu8 In4 -","4","0.5","","Fornasini, M.L.; Cirafici, S.","Crystal structures of Eu3 Ga2, Eu Ga,Eu2 In, Eu In and Eu In4","Zeitschrift fuer Kristallographie (149,1979-)","1990","190","","295","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103709","12.928","","10.966","","8.858","","90","","90","","90","","1255.79","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs Ba2 (N3)5","","- Ba2 Cs N15 -","- Ba2 Cs N15 -","- Ba8 Cs4 N60 -","4","0.5","","Krischner, H.; Saracoglu, A.I.; Kratky, C.","Die Kristallstruktur des Cs Ba2 (N3)5","Zeitschrift fuer Kristallographie (149,1979-)","1982","159","","225","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103728","7.657","","8.588","","5.485","","90","","90","","90","","360.684","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","S C (N H2)2","","- C H4 N2 S -","- C H4 N2 S -","- C4 H16 N8 S4 -","4","0.5","","Mullen, D.; Heger, G.; Treutmann, W.","Refinement of the structure of thiourea. A neutron diffraction study at 293 K","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1978","148","","95","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103731","10.51","","6.129","","4.823","","90","","90","","90","","310.677","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Mn1.07 Co.93) (Si O4)","","- Co0.93 Mn1.07 O4 Si -","- Co0.934 Mn1.066 O4 Si -","- Co3.736 Mn4.264 O16 Si4 -","4","0.5","","Untersteller, E.; Hellner, E.; Treutmann, W.; Schweiss, P.; Hosoya, S.; Heger, G.","Strukturelle und magnetische Untersuchungen an (Mn,Co)-Olivin- Mischkristallem","Zeitschrift fuer Kristallographie (149,1979-)","1988","182","","261","263","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103770","32.692","","4.1198","","12.202","","90","","90","","90","","1643.42","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cu4 Bi4 Se9","","- Bi4 Cu4 Se9 -","- Bi4 Cu4 Se9 -","- Bi16 Cu16 Se36 -","4","0.5","","Makovicky, E.; Karup-Moller, S.; Sotofte, I.","The crystal structure of Cu4 Bi4 Se9","Zeitschrift fuer Kristallographie (149,1979-)","2002","217","","597","604","","","","","","","","","","","","","","","","","","","","","","has coordinates","157497","2020-10-21","18:00:00",""
"8103783","8.884","","5.457","","7.157","","90","","90","","90","","346.971","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Ba0.99 Pb0.01) (S O4)","","- Ba0.99 O4 Pb0.01 S -","- Ba0.99 O4 Pb0.01 S -","- Ba3.96 O16 Pb0.04 S4 -","4","0.5","","Wang, H.-R.; Lee, J.-S.; Yu, S.-C.","Synthesis of zoning-free (Ba S O4) - (Pb S O4) solid solution and its structural characterizations","Zeitschrift fuer Kristallographie (149,1979-)","2002","217","","143","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103784","8.482","","5.398","","6.959","","90","","90","","90","","318.624","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Ba0.977 Pb0.013 Sr0.01) (S O4)","","- Ba0.977 O4 Pb0.013 S Sr0.01 -","- Ba0.977 O4 Pb0.013 S Sr0.01 -","- Ba3.908 O16 Pb0.052 S4 Sr0.04 -","4","0.5","","Wang, H.-R.; Lee, J.-S.; Yu, S.-C.","Synthesis of zoning-free (Ba S O4) - (Pb S O4) solid solution and its structural characterizations","Zeitschrift fuer Kristallographie (149,1979-)","2002","217","","143","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103785","8.792","","5.43","","7.11","","90","","90","","90","","339.435","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Ba0.8 Pb0.2) (S O4)","","- Ba0.8 O4 Pb0.2 S -","- Ba0.8 O4 Pb0.2 S -","- Ba3.2 O16 Pb0.8 S4 -","4","0.5","","Wang, H.-R.; Lee, J.-S.; Yu, S.-C.","Synthesis of zoning-free (Ba S O4) - (Pb S O4) solid solution and its structural characterizations","Zeitschrift fuer Kristallographie (149,1979-)","2002","217","","143","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103844","13.941","","17.599","","7.441","","90","","90","","90","","1825.63","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","(Pb Cl2)2 (S O (C H3)2)3","","- C6 H18 Cl4 O3 Pb2 S3 -","- C6 Cl4 O3 Pb2 S3 -","- C24 Cl16 O12 Pb8 S12 -","4","0.5","","Geselle, M.; Fuess, H.","Crystal structure of bis-Lead(II)chloride tris-dimethylsulphoxide, (Pb Cl2)2 (S O (C H3)2)3","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","236","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","161376","2020-10-21","18:00:00",""
"8103868","9.4395","","3.9538","","15.3744","","90","","90","","90","","573.802","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","In Mg Br3","","- Br3 In Mg -","- Br3 In Mg -","- Br12 In4 Mg4 -","4","0.5","","Scholten, M.; Dronskowski, R.","Crystal structure of indium magnesium tribromide, In Mg Br3","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","5","5","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103882","15.466","","11.697","","8.105","","90","","90","","90","","1466.24","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)2 (Sc (N H3) I5)","","- H11 I5 N3 Sc -","- H11 I5 N3 Sc -","- H44 I20 N12 Sc4 -","4","0.5","","Simon, M.; Meyer, G.","Crystal structure of diammonium monoamminopentaiodo-scandat(III), (NH4)2(Sc(NH3)I5)","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","327","327","","","","","","","","","","","","","","","","","","","","","","has coordinates","189061","2020-10-21","18:00:00",""
"8103886","6.792","","4.168","","7.858","","90","","90","","90","","222.453","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ba H2 -","- Ba H2 -","- Ba4 H8 -","4","0.5","","Snyder, G.J.; Borrmann, H.; Simon, A.","Crystal structure of barium dihydride, Ba H2","Zeitschrift fuer Kristallographie (149,1979-)","1994","209","","458","458","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103901","12.92","","9.802","","8.563","","90","","90","","90","","1084.43","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr5 As1.6 Sb1.4","","- As1.6 Sb1.4 Sr5 -","- As1.6 Sb1.4 Sr5 -","- As6.4 Sb5.6 Sr20 -","4","0.5","","Somer, M.; Carrillo-Cabrera, W.; von Schnering, H.G.; Peters, E.M.; Peters, K.","Crystal structure of strontium arsenide antimonide (5/1.6/1.4), Sr5 As1.6 Sb1.4","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","875","875","","","","","","","","","","","","","","","","","","","","","","has coordinates","162193","2020-10-21","18:00:00",""
"8103914","7.5653","","4.2553","","5.7667","","90","","90","","90","","185.645","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Yb Cu","","- Cu Yb -","- Cu Yb -","- Cu4 Yb4 -","4","0.5","","Belan, B.D.; Bodak, O.I.; Cerny, R.; Pacheco, J.V.; Yvon, K.","Crystal structure of ytterbium copper, YbCu.","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","508","508","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103915","13.84","","4.601","","14.45","","90","","90","","90","","920.145","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ba3 (In As3)","","- As3 Ba3 In -","- As3 Ba3 In -","- As12 Ba12 In4 -","4","0.5","","Somer, M.; Carrillo-Cabrera, W.; Peters, K.; von Schnering, H.G.; Cordier, G.","Crystal structure of tribarium triarsenidoindate Ba3 In As3","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","632","632","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103920","8.415","","5.546","","10.349","","90","","90","","90","","482.984","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb2 (P H)","","- H P Rb2 -","- P Rb2 -","- P4 Rb8 -","4","0.5","","Somer, M.; Peters, K.; Carrillo-Cabrera, W.; von Schnering, H.G.; Peters, E.M.","Crystal structure of dirubidium hydrogenphosphide, Rb2(PH)","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","299","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103942","9.602","","11.161","","9.773","","90","","90","","90","","1047.35","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb3 (Sb S4)","","- Rb3 S4 Sb -","- Rb3 S4 Sb -","- Rb12 S16 Sb4 -","4","0.5","","Bensch, W.; Duerichen, P.","Crystal structure of rubidium tetrathioantimonate (V), Rb3 Sb S4","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","636","636","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103975","13.536","","9.291","","8.5832","","90","","90","","90","","1079.45","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)2 (Br2 (Pr Br3))","","- Br5 H8 N2 Pr -","- Br5 N2 Pr -","- Br20 N8 Pr4 -","4","0.5","","Bohnsack, A.; Meyer, G.","Crystal structure of ammonium catena-di-mu-bromotribromo-praseodymate(III), (N H4)2 Pr Br5","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","326","326","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103980","10.184","","4.747","","17.309","","90","","90","","90","","836.777","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb (Sn I3)","","- I3 Rb Sn -","- I3 Rb Sn -","- I12 Rb4 Sn4 -","4","0.5","","Thiele, G.; Serr, B.R.","Crystal structure of rubidium triiodostannate(II), Rb Sn I3","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","64","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103993","6.125","","3.89","","14.512","","90","","90","","90","","345.767","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cu Bi S2","","- Bi Cu S2 -","- Bi Cu S2 -","- Bi4 Cu4 S8 -","4","0.5","","Hofmann, W.","Die Struktur von Wolfsbergit, Cu Sb S2 und Emplektit, Cu Bi S2 und deren Beziehungen zu der Struktur von Antimonit, Sb2 S3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","84","","177","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104001","6.505","","3.5169","","8.757","","90","","90","","90","","200.338","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Zr P2","","- P2 Zr -","- P2 Zr -","- P8 Zr4 -","4","0.5","","Huber, M.; Deiseroth, H.J.","Crystal structure of zirconium diphosphide, ZrP2","Zeitschrift fuer Kristallographie (149,1979-)","1994","209","","370","370","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104006","15.051","","8.13","","8.098","","90","","90","","90","","990.909","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na (Al I4)","","- Al I4 Na -","- Al I4 Na -","- Al4 I16 Na4 -","4","0.5","","Burnus, R.; Hinz, D.J.; Meyer, G.","Crystal structure of sodium tetraiodoaluminate (III), NaAlI4","Zeitschrift fuer Kristallographie (149,1979-)","1994","209","","544","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104078","7.8998","","23.805","","6.9336","","90","","90","","90","","1303.9","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cu Pb3 Br7","","- Br7 Cu Pb3 -","- Br7 Cu0.998 Pb3 -","- Br28 Cu3.992 Pb12 -","4","0.5","","Oldag, T.; Keller, H.L.","Solvothermal Synthesis and Crystal Structure of beta- and gamma- Cu Pb3 Br7","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","152","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104126","5.086","","10.484","","17.606","","90","","90","","90","","938.781","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li2 Co2 (Mo O4)3","","- Co2 Li2 Mo3 O12 -","- Co2.04 Li1.96 Mo3 O12 -","- Co8.16 Li7.84 Mo12 O48 -","4","0.5","","Wiesmann, M.; Svoboda, H.; Weitzel, H.; Fuess, H.","The Structure of Lithiumcobaltmolybdate Li2 Co2 (Mo O4)3","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","525","525","","","","","","","","","","","","","","","","","","","","","","has coordinates","164366","2020-10-21","18:00:00",""
"8104144","6.902","","10.994","","11.127","","90","","90","","90","","844.323","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na3 (Fe2 Se4)","","- Fe2 Na3 Se4 -","- Fe2 Na3 Se4 -","- Fe8 Na12 Se16 -","4","0.5","","Klepp, K.O.; Sparlinek, W.","Crystal structure of trisodium tetraseleno diferrate, Na3 Fe2 Se4","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","626","626","","","","","","","","","","","","","","","","","","","","","","has coordinates","164545","2020-10-21","18:00:00",""
"8104145","13.46","","3.8284","","10.247","","90","","90","","90","","528.031","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na Cu (Hf Se3)","","- Cu Hf Na Se3 -","- Cu Hf Na Se3 -","- Cu4 Hf4 Na4 Se12 -","4","0.5","","Klepp, K.O.; Sturmayr, D.","Crystal structure of sodium copper triselenohafnate(IV) Na Cu Hf Se3","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","75","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104169","10.0479","","7.2463","","12.783","","90","","90","","90","","930.731","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 (Mo S4)","","- Cs2 Mo S4 -","- Cs2 Mo S4 -","- Cs8 Mo4 S16 -","4","0.5","","Raymond, C.C.; Miller, S.M.; Dorhout, P.K.","Crystal structure of dicesium tetrathiomolybdate, Cs2 Mo S4","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","775","775","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104179","9.458","","18.25","","5.358","","90","","90","","90","","924.836","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(H5 O2) (Al (H2 O)2 (S O4)2)","","- Al H9 O12 S2 -","- Al O12 S2 -","- Al4 O48 S8 -","4","0.5","","Fischer, T.; Eisenmann, B.; Kniep, R.","Crystal structure of aquaoxonium diaquabis(sulfato)aluminate, H5 O2 (Al (H2 O)2 (S O4)2)","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","466","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104185","14.828","","8.56","","7.0123","","90","","90","","90","","890.055","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Li2 (Zn I4)","","- I4 Li2 Zn -","- I4 Li2 Zn -","- I16 Li8 Zn4 -","4","0.5","","Zhang, Z.; Lutz, H.D.","Redetermination of the crystal structures of lithium zinc iodide, Li2 Zn I4, and sodium zinc chloride, Na2 Zn Cl4","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","691","692","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104207","9.917","","3.23","","13.41","","90","","90","","90","","429.548","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- P4.76 Se0.25 -","- P4.76 Se0.25 -","- P19.04 Se -","4","0.5","","Ruck, M.; Hoppe, D.; Simon, P.","Phosphorus-rich phosphorus selenides P(14+x)Se (x = 1, 5)","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","265","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104208","9.963","","3.231","","13.412","","90","","90","","90","","431.738","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- P4.68 Se0.3125 -","- P4.68 Se0.31 -","- P18.72 Se1.24 -","4","0.5","","Ruck, M.; Hoppe, D.; Simon, P.","Phosphorus-rich phosphorus selenides P(14+x)Se (x = 1, 5)","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","265","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104234","10.456","","9.548","","13.625","","90","","90","","90","","1360.24","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- P4 S3 -","- P4 S3 -","- P32 S24 -","8","1","","Chattopadhyay, T.K.; May, W.; von Schnering, H.G.; Pawley, G.S.","X-ray and neutron diffraction study of the crystal structure of alpha-P4 S3","Zeitschrift fuer Kristallographie (149,1979-)","1983","165","","47","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104249","11.3","","3.837","","11.22","","90","","90","","90","","486.478","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Sb2 S3","","- S3 Sb2 -","- S3 Sb2 -","- S12 Sb8 -","4","0.5","","Hofmann, W.","Die Struktur der Minerale der Antimonitgruppe.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","86","","225","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","166705","2020-10-21","18:00:00",""
"8104250","11.82","","3.988","","4.34","","90","","90","","90","","204.58","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Sn S","","- S Sn -","- S Sn -","- S4 Sn4 -","4","0.5","","Hofmann, W.","Ergebnisse der Strukturbestimmung komplexer Sulfide. I: Sn S und Pb Sn S2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","92","","161","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104281","11.2","","3.987","","4.334","","90","","90","","90","","193.532","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Sn S","","- S Sn -","- S Sn -","- S4 Sn4 -","4","0.5","","Wiedemeier, H.; von Schnering, H.G.","Refinement of the structures of Ge S, Ge Se, Sn S, and Sn Se","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1978","148","","295","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104282","10.481","","3.646","","4.299","","90","","90","","90","","164.281","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ge S -","- Ge S -","- Ge4 S4 -","4","0.5","","Wiedemeier, H.; von Schnering, H.G.","Refinement of the structures of Ge S, Ge Se, Sn S, and Sn Se","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1978","148","","295","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104314","18.254","","17.636","","5.27","","90","","90","","90","","1696.56","","","","","","","","","","","","","8","P n m a","-P 2ac 2n","62","","Na0.06 Li1.91 Mg1.98 Fe0.99 Al1.98 ((Si7.92 Al0.08) O22) (O H)2","","- Al2.06 Fe0.99 H2 Li1.91 Mg1.98 Na0.06 O24 Si7.92 -","- Al2.06 Fe0.99 Li1.92 Mg2.03 Na0.06 O24 Si7.92 -","- Al8.24 Fe3.96 Li7.68 Mg8.12 Na0.24 O96 Si31.68 -","4","0.5","","Walter, F.; Walitzi, E.M.; Mereiter, K.","Verfeinerung der Kristallstruktur von Holmquistit vom Brandruecken/Weinebene, Koralpe, Oesterreich","Zeitschrift fuer Kristallographie (149,1979-)","1989","188","","95","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104324","23.89","","4.057","","19.098","","90","","90","","90","","1851.01","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pb14 Cu0.48 Bi16 S36","","- Bi16 Cu0.48 Pb14 S36 -","- Bi16 Cu0.48 Pb14 S36 -","- Bi16 Cu0.48 Pb14 S36 -","1","0.125","","Srikrishnan, T.; Nowacki, W.","A redetermination of the crystal structure of cosalite, Pb2 Bi2 S5","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1974","140","","114","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","172199","2020-10-21","18:00:00",""
"8104327","32.05","","3.951","","11.589","","90","","90","","90","","1467.51","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cu4 Bi4 S9","","- Bi4 Cu4 S9 -","- Bi4 Cu4 S9 -","- Bi16 Cu16 S36 -","4","0.5","","Takeuchi, Y.; Ozawa, T.","The structure of Cu4 Bi4 S9 and its relation to the structures of covellite, CuS and bismuthinite, Bi2 S3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1975","141","","217","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","172234","2020-10-21","18:00:00",""
"8104478","19.981","","8.29","","9.081","","90","","90","","90","","1504.2","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K4 As2 Te4","","- As2 K4 Te4 -","- As2 K4 Te4 -","- As8 K16 Te16 -","4","0.5","","Eisenmann, B.; Zagler, R.; Jaeger, J.","Crystal structure of tetrapotassium tetratellurodiarsenate(II)","Zeitschrift fuer Kristallographie (149,1979-)","1991","197","","259","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","174114","2020-10-21","18:00:00",""
"8104482","11.944","","11.37","","6.459","","90","","90","","90","","877.153","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","W (C O)6","","- C6 O6 W -","- C6 O6 W -","- C24 O24 W4 -","4","0.5","","Heinemann, F.; Schmidt, H.; Thiery, D.; Peters, K.","Crystal structure of tungsten hexacarbonyl","Zeitschrift fuer Kristallographie (149,1979-)","1992","198","","123","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104484","12.019","","11.415","","6.488","","90","","90","","90","","890.133","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mo (C O)6","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","","Mak, T.C.W.","Crystal structure of molybdenum hexacarbonyl","Zeitschrift fuer Kristallographie (149,1979-)","1984","166","","277","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104495","15.408","","10.776","","9.302","","90","","90","","90","","1544.47","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb2 Ga Sb2","","- Ga Rb2 Sb2 -","- Ga Rb2 Sb2 -","- Ga8 Rb16 Sb16 -","8","1","","Cordier, G.; Ochmann, H.","Crystal structure of dirubidium diantimonidogallate","Zeitschrift fuer Kristallographie (149,1979-)","1991","195","","125","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104496","18.06","","11.167","","8.358","","90","","90","","90","","1685.61","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 (Ga Sb2)","","- Cs2 Ga Sb2 -","- Cs2 Ga Sb2 -","- Cs16 Ga8 Sb16 -","8","1","","Cordier, G.; Ochmann, H.","Crystal structure of dicesium catena-diantimonidogallate","Zeitschrift fuer Kristallographie (149,1979-)","1991","195","","310","311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104517","9.337","","7.493","","14.861","","90","","90","","90","","1039.71","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 (Tl Cl5)","","- Cl5 Cs2 Tl -","- Cl5 Cs2 Tl -","- Cl20 Cs8 Tl4 -","4","0.5","","Thiele, G.; Richter, R.","Crystal structure of dicesium pentachlorothallate","Zeitschrift fuer Kristallographie (149,1979-)","1993","205","","131","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104542","13.1951","0.0015","4.2145","0.0002","9.9155","0.0007","90","","90","","90","","551.41","0.08","502","2","502","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba D0.49 Ge -","- Ba D0.4885 Ge -","- Ba8 D3.908 Ge8 -","8","1","","Auer, Henry; Weber, Sebastian; Hansen, Thomas Christian; Többens, Daniel Maria; Kohlmann, Holger","Reversible hydrogenation of the Zintl phases BaGe and BaSn studied by in situ diffraction","Zeitschrift für Kristallographie - Crystalline Materials","2018","233","6","399","","10.1515/zkri-2017-2142","powder diffraction","","1.86819","neutron","","","","","","","","","0.058","2.48","","","","","","","has coordinates","211347","2020-10-21","18:00:00",""
"8104545","6.3373","0.0002","6.9892","0.0002","9.3457","0.0003","90","","90","","90","","413.95","0.02","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","Hibbingite","","","- Cl Fe2 H3 O3 -","- Cl Fe2 H3 O3 -","- Cl4 Fe8 H12 O12 -","4","0.5","","Natalia V. Zubkova; Igor V. Pekov; Evgeny V. Sereda; Vasiliy O. Yapaskurt; Dmitry Yu. Pushcharovsky","The crystal structure of hibbingite, orthorhombic Fe2Cl(OH)3","Zeitschrift fur Kristallographie","2019","234","","379","382","10.1515/zkri-2018-2124","","x-ray","0.71073","MoKα","","0.0232","0.0207","","","0.0417","0.0429","","","","","","1.047","","","","has coordinates","250400","2020-10-21","18:00:00",""
"8104618","17.9344","0.0003","18.2722","0.0003","9.5619","0.0002","90","","90","","90","","3133.44","0.1","293.28","0.1","293.28","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H25 Cd N11 O8 -","- C30 H25 Cd N11 O8 -","- C120 H100 Cd4 N44 O32 -","4","0.5","","Yin, Wei-Dong; Liu, Qian-Long; Zhao, Ya-Jing; Gong, Xiao-Ru; Li, Gui-Lian","Crystal structure of catena-poly[bis(µ2-3,5-bis(1-imidazolyl)pyridine-κ2 N:N′)-(µ2-3-nitrophthalato-k3 O,O′:O″)cadmium(II)] dihydrate, C30H25N11O8Cd","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","899","902","10.1515/ncrs-2021-0133","","x-ray","0.71073","MoKα","","0.0416","0.0345","","","0.0683","0.0707","","","","","","1.107","","","","has coordinates,has disorder","273227","2022-03-03","10:08:58",""
"8104736","7.407","0.003","44.336","0.016","6.046","0.002","90","","90","","90","","1985.5","1.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H16 Br2 N0 O2 -","- C24 H16 Br2 O2 -","- C96 H64 Br8 O8 -","4","0.5","","Usman, Rabia; Khan, Arshad; Refat, Moamen S.; Al-Hazmi, Ghaferah H.; He, Nongyue","Synthesis and crystal structure of (2E,2′E)-3,3′-(1,3-phenylene)bis(1-(3-bromophenyl)prop-2-en-1-one), C24H16Br2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","863","864","10.1515/ncrs-2021-0139","","","0.71073","MoKα","","0.0901","0.0602","","","0.1208","0.1315","","","","","","1.135","","","","has coordinates","273647","2022-03-11","09:39:00",""
"8104873","12.457","0.003","22.806","0.008","7.398","0.002","90","","90","","90","","2101.7","1.1","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H20 Cl4 N2 O Zr -","- C18 H20 Cl4 N2 O Zr -","- C72 H80 Cl16 N8 O4 Zr4 -","4","0.5","","Bonitatibus, Peter J.; Reiss, Guido J.","Preparation and crystal structure of a cationic olefin polymerization precatalyst: (1,7-bis(2,6–dichlorophenyl)-1,7-di-aza-4-oxo-heptan-1,4,7-triyl)dimethyl zirconium(IV), C18H20Cl4N2OZr","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","29","32","10.1515/ncrs-2020-0464","","","0.71073","MoKα","","0.0395","0.0291","","","0.0641","0.0685","","","","","","1.06","","","","has coordinates","273987","2022-03-25","09:53:53",""
"8104989","11.0042","0.0004","20.6209","0.0005","9.2371","0.0003","90","","90","","90","","2096.05","0.11","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H11 F4 I2 N3 -","- C21 H11 F4 I2 N3 -","- C84 H44 F16 I8 N12 -","4","0.5","","Wang, Weizhou","Halogen bonds in the crystal structure of 4,3′:5′,4″-terpyridine — 1,3-diiodotetrafluorobenzene (1/1), C21H11F4I2N3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","161","163","10.1515/ncrs-2021-0424","","x-ray","0.71073","MoKα","","0.0456","0.0316","","","0.0519","0.0556","","","","","","1.168","","","","has coordinates","274202","2022-04-01","07:56:31",""
"8105152","10.4813","0.0005","6.8663","0.0004","17.2605","0.0009","90","","90","","90","","1242.2","0.11","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Z)-3-hydrazono-5-nitroindolin-2-one","","- C10 H12 N4 O4 S -","- C10 H12 N4 O4 S -","- C40 H48 N16 O16 S4 -","4","0.5","","Al-Obaid, Abdulrahman M.; Syed, Saeed Ali; Ahmed, Bari; Hosten, Eric C.","The crystal structure of (Z)-3-hydrazono-5-nitroindolin-2-one – dimethyl sulfoxide (1/1), C8H6N4O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","501","502","10.1515/ncrs-2019-0806","","","0.71073","MoKα","","0.0598","0.0506","","","0.1496","0.159","","","","","","1.073","","","","has coordinates","274918","2022-05-05","08:21:10",""
"8105190","14.2289","0.001","6.1881","0.0004","7.5592","0.0005","90","","90","","90","","665.59","0.08","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H7 N3 O3 -","- C4 H7 N3 O3 -","- C16 H28 N12 O12 -","4","0.5","","Cong, Chen; Yun, Xiao; Chong, Li; LiZhen, Chen; Jianlong, Wang","The crystal structure of 1-methyl-1H-pyrazol-2-ium nitrate, C4H7O3N3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","237","238","10.1515/ncrs-2021-0474","","","0.71073","MoKα","","0.0619","0.0427","","","0.098","0.1098","","","","","","1.082","","","","has coordinates,has disorder","275277","2022-05-09","09:10:04",""
"8105194","7.1945","0.0002","16.1805","0.0004","17.7912","0.0005","90","","90","","90","","2071.08","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H20 N4 Ni O14 -","- C16 H16 N4 Ni O14 -","- C64 H64 N16 Ni4 O56 -","4","0.5","","Liu, Xu; Meng, Xiang-Ru","Crystal structure of [diaqua[2,2′-(1,2-phenylene)bis(1H-imidazole-4-carboxylato-5-carboxy)-κ4 N,N′,O,O′]nickel(II)] tetrahydrate, C16H12N4NiO10·4H2O","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","249","251","10.1515/ncrs-2021-0463","","","0.71073","MoKα","","0.0448","0.0353","","","0.0942","0.0997","","","","","","1.053","","","","has coordinates,has disorder","275288","2022-05-10","07:31:47",""
"8105287","12.4217","0.0008","7.3444","0.0006","10.6063","0.0007","90","","90","","90","","967.61","0.12","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2.5 H3 Mg0.5 N5 O -","- C2.5 H3 Mg0.5 N5 O -","- C20 H24 Mg4 N40 O8 -","8","1","","Li, Ting; Xing, Zheng","Crystal structure of catena-poly[diaqua-bis(μ2-5,5′-(1H-imidazole-4,5-diyl)bis(tetrazol-2-ido)-κ4 N,N′:N′′,N′′′)magnesium], C10H8N20O2Mg","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","787","788","10.1515/ncrs-2020-0006","","","0.71","graphite","","0.0478","0.0411","","","0.1096","0.1147","","","","","","1.075","","","","has coordinates","275510","2022-05-18","08:12:07",""
"8105446","9.9218","0.0008","14.6941","0.0011","13.5697","0.001","90","","90","","90","","1978.4","0.3","173","2","172.9","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H16 Li5 N O13 -","- C20 H16 Li5 N O13 -","- C80 H64 Li20 N4 O52 -","4","0.5","","Li, Ying; Qin, Yu-Cai; Chen, Bao-Kuan","The crystal structure of dimethylammonium catena-[di(μ-aqua)-bis(μ9-benzene-1,3,5-tricarboxylato)pentalithium], C20H16Li5NO13","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1289","1291","10.1515/ncrs-2020-0270","","","0.71073","MoKα","","0.0863","0.0439","","","0.083","0.096","","","","","","1.003","","","","has coordinates","276145","2022-06-22","08:56:22",""
"8105527","6.768","0.001","23.693","0.002","7.7301","0.0011","90","","90","","90","","1239.6","0.3","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H6 Br Cu2 N4 O4 -","- C10 H6 Br Cu2 N4 O4 -","- C40 H24 Br4 Cu8 N16 O16 -","4","0.5","","Cuihong, Zhang; Xiaohu, Wei; Liguo, Yang; Zhenzhen, He; Jiaze, Wu; Hao, Liu; Xin, Li; Zongcheng, Miao","Crystal structure of catena-poly[bromido-(μ2-pyrazine-2-carboxylato-κ3 N:N′,O)copper(II)], C10H6N4Cu2O4Br","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","23","24","10.1515/ncrs-2018-0008","","","0.71073","MoKα","","0.0547","0.0473","","","0.1238","0.1293","","","","","","1.117","","","","has coordinates","276279","2022-06-27","08:49:57",""
"8105574","6.4261","0.0007","17.08","0.002","8.5393","0.001","90","","90","","90","","937.25","0.19","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,2-dimethyl-3,6-dinitrobenzene","","- C8 H6 N2 O6 -","- C8 H6 N2 O6 -","- C32 H24 N8 O24 -","4","0.5","","Fanfan, Shen; Jianlong, Wang; Shaomin, Xue","The crystal structure of 2,6-dimethyl-3,5-dinitrocyclohexa-2,5-diene-1,4-dione, C8H6N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","159","160","10.1515/ncrs-2018-0246","","x-ray","0.71073","MoKα","","0.0866","0.0444","","","0.084","0.0977","","","","","","1.056","","","","has coordinates","276429","2022-06-30","07:42:45",""
"8105608","24.166","0.002","19.5652","0.0018","9.6477","0.0009","90","","90","","90","","4561.6","0.7","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C50 H48 B Cu F4 N4 P2 -","- C50 H48 B Cu F4 N4 P2 -","- C200 H192 B4 Cu4 F16 N16 P8 -","4","0.5","","Fazal, Atif; Fettouhi, Mohammed","Crystal structure of (2,2′-bipyridine-κ 2 N,N′)bis(4-(dimethylamino)phenyldiphenylphosphane-κP)copper(I) tetrafluoroborate, C50H48BCuF4N4P2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","253","254","10.1515/ncrs-2018-0289","","","0.71073","MoKα","","0.0677","0.0494","","","0.1397","0.1546","","","","","","1.031","","","","has coordinates","276479","2022-07-01","08:00:38",""
"8105749","13.4643","0.0013","6.2866","0.001","9.1138","0.0009","90","","90","","90","","771.43","0.16","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","PC-5–Py-Trz+NO3","","- C5 H5 N5 O3 -","- C5 H5 N5 O3 -","- C20 H20 N20 O12 -","4","0.5","","Zhou, Meng-Shu; Fu, Hong-Ru","Crystal structure of 1H-1,2,3-Triazolo[4,5-b]-pyridin-4-ium nitrate, C5H5N5O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","557","558","10.1515/ncrs-2022-0145","","x-ray","0.71073","MoKα","","0.068","0.0517","","","0.1225","0.1317","","","","","","1.19","","","","has coordinates","277586","2022-09-02","07:46:31",""
"8106041","18.214","0.003","20.934","0.003","5.5296","0.0008","90","","90","","90","","2108.4","0.6","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H22 N6 Ni O6 -","- C21 H22 N6 Ni O6 -","- C84 H88 N24 Ni4 O24 -","4","0.5","","Hui, Guo; Xin-Hong, Chang; Hao-Yue, Qin","Crystal structure of catena-poly[diaqua-(μ2-5-methylisophthalato-κ2 O:O′)(μ2-1,4-bis((1H-1,2,4-triazol-1-yl)methyl)benzene-κ2 N:N′)], NiC21H22O6N6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","55","56","10.1515/ncrs-2017-0136","","","0.71073","MoKα","","0.033","0.0279","","","0.0763","0.0798","","","","","","1.059","","","","has coordinates","279179","2022-11-10","08:24:38",""
"8106128","15.0612","0.0003","11.0386","0.0002","15.5316","0.0003","90","","90","","90","","2582.2","0.09","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Be3 Cs2 O14 P4 -","- Be3 Cs2 O14 P4 -","- Be24 Cs16 O112 P32 -","8","1","","Fang, Wang; Yigang, Chen","Crystal structure of cesium beryllophosphate, Be3Cs2P4O14","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","287","288","10.1515/ncrs-2017-0288","","","0.71073","MoKα","","0.0279","0.0229","","","0.0569","0.0594","","","","","","1.071","","","","has coordinates","279348","2022-11-17","09:11:57",""
"8106130","28.3651","0.0008","22.8464","0.0006","7.1341","0.0002","90","","90","","90","","4623.2","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C48 H54 Cl2 N2 O17 -","- C48 H54 Cl2 N2 O17 -","- C192 H216 Cl8 N8 O68 -","4","0.5","","Zhang, Mei; Lou, Benyong; Huang, Xiaodong; Huang, Yali","Crystal structure of 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride — 4-hydroxy-3-methoxybenzoic acid — water (2/1/5), C48H54N2Cl2O17","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","291","293","10.1515/ncrs-2017-0293","","","1.54178","CuKα","","0.0485","0.0437","","","0.1179","0.1225","","","","","","1.038","","","","has coordinates","279350","2022-11-17","09:31:01",""
"8106273","14.474","0.006","6.815","0.003","13.738","0.006","90","","90","","90","","1355.1","1","173","","173","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","0.5","","Wu, Jichun; Luo, Guoyong; Liu, Yuchen; Yang, Wude","Crystal structure of 2-isopropyl-8-methyl-phenanthrene-3,4-dione, C18H16O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","721","722","10.1515/ncrs-2018-0052","","","0.71073","MoKα","","0.0806","0.0583","","","0.1549","0.1759","","","","","","1.041","","","","has coordinates,has disorder","279594","2022-11-28","09:46:43",""
"8106336","14.903","0.002","9.1004","0.0015","8.756","0.0014","90","","90","","90","","1187.5","0.3","296","","296","","","","","","","","see text","5","P n m a","-P 2ac 2n","62","","","","- C10 H13 Cl N2 O4 -","- C10 H13 Cl N2 O4 -","- C40 H52 Cl4 N8 O16 -","4","0.5","","Messali, Mouslim; Aouad, Mohamed Reda; Rezki, Nadjet; Almutairi, M. Saud; Warad, Ismail","Crystal structure of 4-(dimethylamino)-1-(prop-2-yn-1-yl)pyridin-1-ium perchlorate, C10H13ClN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","897","898","10.1515/ncrs-2018-0084","","x-ray","1.54178","CuKα","","0.0285","0.0284","","","0.0795","0.0795","","","","","","1.082","","","","has coordinates,has disorder","279728","2022-12-06","08:45:27",""
"8106407","7.276","0.002","6.7773","0.0019","17.613","0.005","90","","90","","90","","868.5","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","8-(trifluoromethyl)imidazo[1,2-<i>a</i>]pyridine-3-carbaldehyde,","","- C9 H5 F3 N2 O -","- C9 H5 F3 N2 O -","- C36 H20 F12 N8 O4 -","4","0.5","","You, Gui-Rong; Rao, Guo-Wu","Crystal structure of 8-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde, C9H5F3N2O","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1081","1082","10.1515/ncrs-2018-0199","","","0.71073","MoKα","","0.0443","0.0399","","","0.1079","0.1122","","","","","","1.068","","","","has coordinates","279910","2022-12-15","09:43:04",""
"8106505","11.371","0.011","12.144","0.012","11.718","0.011","90","","90","","90","","1618","3","296","2","296.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H17 N3 -","- C20 H17 N3 -","- C80 H68 N12 -","4","0.5","","Zhang, Min; Yuan, Lin; Yuan, Xian-You; Li, Zhong-Yan","Crystal structure of 4-(1,3-dimethyl-2,3-dihydro-1H-perimidin-2-yl)benzonitrile, C20H17N3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","267","268","10.1515/ncrs-2016-0233","","","0.71073","MoKα","","0.0563","0.0443","","","0.1238","0.1373","","","","","","1.08","","","","has coordinates","280462","2023-01-20","09:52:47",""
"8106527","7.9629","0.0013","15.175","0.002","7.9795","0.0011","90","","90","","90","","964.2","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ga1.24 Sb2.77 Y5 -","- Ga1.25 Sb2.75 Y5 -","- Ga5 Sb11 Y20 -","4","0.5","","Yan, Chang; Zhao, Meng; Gao, Ju; Yao, Jinlei","Crystal structure of yttrium gallium antimonide, Y5Ga1.24Sb2.77","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","331","332","10.1515/ncrs-2016-0312","","","0.71073","MoKα","","0.1499","0.0701","","","0.0616","0.0741","","","","","","0.892","","","","has coordinates","280500","2023-01-21","08:56:21",""
"8106698","13.874","0.002","6.5644","0.0011","6.6911","0.0011","90","","90","","90","","609.39","0.17","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Potassium 1-Methyl-1,2,3,4-Tetrazole-5-Thiolate","","","- C2 H3 K N4 S -","- C2 H3 K N4 S -","- C8 H12 K4 N16 S4 -","4","0.5","","Wang, Xiuhang","Crystal structure of potassium 1-methyl-1H-1,2,3,4-tetrazole-5-thiolate, C2H3N4SK","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","845","847","10.1515/ncrs-2016-0411","","","0.71073","MoKα","","0.026","0.0238","","","0.0584","0.0594","","","","","","1","","","","has coordinates","280797","2023-02-06","10:18:27",""
"8106724","13.753","0.003","6.9471","0.0015","13.797","0.003","90","","90","","90","","1318.2","0.5","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H16 N2 O7 -","- C11 H16 N2 O7 -","- C44 H64 N8 O28 -","4","0.5","","Zeng, Huahui; Shen, Qianjin","Crystal structure of trimethyammonium 2,6-dicarboxyisonicotinate monohydrate, C11H16N2O7","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","929","930","10.1515/ncrs-2017-0085","","","0.71073","MoKα","","0.0476","0.0386","","","0.135","0.165","","","","","","0.671","","","","has coordinates","280825","2023-02-08","10:15:25",""
"8106875","11.506","0.005","12.176","0.005","11.327","0.005","90","","90","","90","","1586.9","1.2","296","2","296.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H17 Br N2 -","- C19 H17 Br N2 -","- C76 H68 Br4 N8 -","4","0.5","","Yuan, Lin; Li, Zhong-Yan; Zhang, Min; Yuan, Xian-You","Crystal structure of 2-(4-bromophenyl)-1,3-dimethyl-2,3-dihydro-1H-perimidine, C19H17BrN2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","361","363","10.1515/ncrs-2014-9071","","","0.71073","MoKα","","0.0525","0.0409","","","0.096","0.1051","","","","","","1.081","","","","has coordinates","281732","2023-03-08","08:43:18",""
"8106990","16.7821","0.0007","17.1436","0.0008","11.1431","0.0005","90","","90","","90","","3205.9","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H15.5 Cl N1.5 Pd0.5 -","- C40 H31 Cl2 N3 Pd -","- C160 H124 Cl8 N12 Pd4 -","4","0.5","","Teci, Matthieu; Brenner, Eric; Matt, Dominique; Toupet, Loïc","Crystal structure of trans-dichlorido[1,3-bis(9-methyl-9H-fluoren-9-yl) benzimidazol-2-ylidene](pyridine)palladium(II) – a compound with anagostic CH–Pd interactions, C40H31Cl2N3Pd","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","733","735","10.1515/ncrs-2015-0251","","","0.71073","MoKα","","0.0834","0.0394","","","0.0752","0.0817","","","","","","0.837","","","","has coordinates","282197","2023-04-03","07:09:42",""
"8107205","20.3965","0.0007","7.8164","0.0003","4.5015","0.0002","90","","90","","90","","717.66","0.05","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H6 Cl N -","- C8 H6 Cl N -","- C32 H24 Cl4 N4 -","4","0.5","","Miao, Mingzhi; Li, Ji","The crystal structure of 4-(chloromethyl)benzonitrile, C8H6ClN","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","749","750","10.1515/ncrs-2022-0196","","x-ray","1.34139","Synchrotron","GaKα","0.0275","0.0265","","","0.065","0.067","","","","","","1.087","","","","has coordinates","283770","2023-05-15","08:43:26",""
"8107282","19.8694","0.0011","12.5765","0.0007","8.699","0.0005","90","","90","","90","","2173.8","0.2","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C60 H132 N4 O20 P12 Rh4 -","- C60 H132 N4 O20 P12 Rh4 -","- C60 H132 N4 O20 P12 Rh4 -","1","0.125","","Elmakki, Mohammed A.; Alexander, Orbett T.; Venter, Johan A.; Roodt, Andreas","The crystal structure of (carbonato κ2 O,O′)(2-oxopyridin-1(2H)-olato-κN)tris(trimethylphosphine)rhodium(III) water solvate, C15H33NO5P3Rh","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1023","1025","10.1515/ncrs-2022-0345","","","0.71073","MoKα","","0.0537","0.0394","","","0.0841","0.0941","","","","","","1.14","","","","has coordinates","284121","2023-06-01","06:52:21",""
"8107297","17.8513","0.0003","13.3869","0.0002","8.5944","0.0002","90","","90","","90","","2053.83","0.07","124","2","124","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H13 B F9 N7 Ni O -","- C15 H13 B F9 N7 Ni O -","- C60 H52 B4 F36 N28 Ni4 O4 -","4","0.5","","Fujisawa, Kiyoshi; Kataoka, Taisei; Terashima, Kohei; Tiekink, Edward R. T.","The crystal structure of nitroxyl-κ N-{hydridotris(3-trifluoromethyl-5-methylpyrazolyl-1-yl-κN 3)borato}nickel(II), C15H13BF9N7NiO","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1075","1078","10.1515/ncrs-2022-0369","","","0.71073","MoKα","","0.025","0.0235","","","0.0679","0.069","","","","","","1.046","","","","has coordinates","284153","2023-06-02","09:13:40",""
"8107449","17.0254","0.0013","15.2534","0.001","11.8789","0.0009","90","","90","","90","","3084.9","0.4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H30 N2 O2 S8 W3 -","- C18 H30 N2 O2 S8 W3 -","- C72 H120 N8 O8 S32 W12 -","4","0.5","","Kim, Kang-Woo; Kim, Sunghyeon","Crystal structure of bis(trimethylphenylammonium) aqua-oxido-octathiotritungstate, (Me3PhN)2[W3OS8(H2O)]","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","389","390","10.1515/ncrs-2023-0027","","","0.71073","MoKα","","0.0406","0.0342","","","0.082","0.0856","","","","","","1.099","","","","has coordinates","285115","2023-07-10","08:54:10",""
"8107510","8.8806","0.0008","5.4539","0.0005","7.157","0.0007","90","","90","","90","","346.64","0.06","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba O4 S -","- Ba O4 S -","- Ba4 O16 S4 -","4","0.5","","Paulsen, Christian; Galéa-Clolus, Valérie; Pöttgen, Rainer","Crystal structure of baryte from Mine du Pradet (France)","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","611","613","10.1515/ncrs-2023-0117","","x-ray","0.71073","MoKα","","0.0236","0.0141","","","0.0315","0.0329","","","","1.07","1.07","0.98","","","","has coordinates","286399","2023-09-19","06:50:37",""
"8107552","7.752","0.002","29.959","0.008","10.176","0.003","90","","90","","90","","2363.3","1.1","296.15","","296.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C28 H32 O6 -","- C28 H32 O6 -","- C112 H128 O24 -","4","0.5","","Chen, Xiao-Ming; Zeng, Fei","The crystal structure of dimethyl 2,2ʹ-((adamantane-1,3-diylbis(4,1-phenylene)) bis(oxy))diacetate, C28H32O6","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","753","755","10.1515/ncrs-2023-0188","","","0.71073","MoKα","","0.0503","0.0423","","","0.1076","0.1145","","","","","","1.027","","","","has coordinates","286531","2023-09-26","07:46:53",""
"8107700","12.8114","0.0019","21.301","0.003","10.6536","0.0016","90","","90","","90","","2907.3","0.7","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H40 N2 Ni O2 -","- C30 H40 N2 Ni O2 -","- C120 H160 N8 Ni4 O8 -","4","0.5","","Shen, Lingyi; Xu, Na; Jiang, Mengna; Zhao, Jiang; Xu, Xiaoling; Yang, Xian-Jiong; Zhang, Qi-Long","Crystal structure of dicarbonyl[N,N′-(1,2-dimethyl-1,2-ethanediylidene)bis[2,6-bis(1-methylethyl)benzenamine]-N,N′]nickel(0), C30H40N2NiO2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1195","1197","10.1515/ncrs-2023-0399","","","0.71073","MoKα","","0.0333","0.029","","","0.0773","0.0808","","","","","","1.06","","","","has coordinates","287961","2023-12-04","08:29:03",""
"9000068","7.663","","6.191","","9.522","","90","","90","","90","","451.739","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","Pyrobelonite","- H Mn O7 Pb V -","- H Mn O7 Pb V -","- H4 Mn4 O28 Pb4 V4 -","4","0.5","","Donaldson, D. M.; Barnes, W. H.","The structures of the minerals of the descloizite and adelite groups: II - pyrobelonite.","American Mineralogist","1955","40","","580","596","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000120","9.404","","5.476","","4.427","","90","","90","","90","","227.974","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Chrysoberyl","- Al2 Be O4 -","- Al2 Be O4 -","- Al8 Be4 O16 -","4","0.5","","Farrell, E. F.; Fang, J. H.; Newnham, R. E.","Refinement of the chrysoberyl structure","American Mineralogist","1963","48","","804","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000156","9.55","","13.11","","5.25","","90","","90","","90","","657.303","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Flinkite","- As H4 Mn3 O8 -","- As H4 Mn3 O8 -","- As4 H16 Mn12 O32 -","4","0.5","","Moore, P. B.","Crystal chemistry of the basic manganese arsenate minerals 1. The crystal structures of flinkite, Mn2Mn(OH)4(AsO4) and retzian, Mn2Y(OH)4(AsO4)","American Mineralogist","1967","52","","1603","1613","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000179","16.212","","5.559","","10.036","","90","","90","","90","","904.469","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca2 H O13 Si3 -","- Al3 Ca2 H O13 Si3 -","- Al12 Ca8 H4 O52 Si12 -","4","0.5","","Dollase, W. A.","Refinement and comparison of the structures of zoisite and clinozoisite","American Mineralogist","1968","53","","1882","1898","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000207","12.74","","13.63","","7.33","","90","","90","","90","","1272.83","","","","","","","","","","","","Narsarsuk, Greenland","4","P n m a","-P 2ac 2n","62","","","Epididymite","- Be Na O8 Si3 -","- Be Na O8 Si3 -","- Be8 Na8 O64 Si24 -","8","1","","Robinson P D; Fang J H","The crystal structure of epididymite","American Mineralogist","1970","55","","1541","1549","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000210","18.531","","17.741","","5.249","","90","","90","","90","","1725.65","","","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","Gedrite","- Al2.96 Ca0.04 Fe1.26 Mg4.48 Na0.36 O24 Si6.24 -","- Al2.96 Ca0.04 Fe1.26 Mg4.48 Na0.36 O24 Si6.24 -","- Al11.84 Ca0.16 Fe5.04 Mg17.92 Na1.44 O96 Si24.96 -","4","0.5","","Papike, J. J.; Ross, M.","Gedrites: Crystal structures and intracrystalline cation distributions sample 001","American Mineralogist","1970","55","","1945","1972","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000211","18.601","","17.839","","5.284","","90","","90","","90","","1753.35","","","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","Sodicgedrite","- Al3.4 Ca0.04 Fe2.53 Mg3.05 Na0.54 O24 Si5.96 -","- Al3.4 Ca0.04 Fe2.53 Mg3.05 Na0.54 O24 Si5.96 -","- Al13.6 Ca0.16 Fe10.12 Mg12.2 Na2.16 O96 Si23.84 -","4","0.5","","Papike, J. J.; Ross, M.","Gedrites: Crystal structures and intracrystalline cation distributions sample 002","American Mineralogist","1970","55","","1945","1972","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000212","10.754","","18.865","","9.884","","90","","90","","90","","2005.21","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Synadelphite","- As3 H13 Mn9 O22 -","- As3 H13 Mn9 O22 -","- As12 H52 Mn36 O88 -","4","0.5","","Moore, P. B.","Crystal chemistry of the basic manganese arsenates: IV. Mixed arsenic valences in the crystal structure of synadelphite","American Mineralogist","1970","55","","2023","2037","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000522","10.597","","18.318","","5.031","","90","","90","","90","","976.597","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Hopeite","- H10 O12 P2 Zn3 -","- H10 O12 P2 Zn3 -","- H40 O48 P8 Zn12 -","4","0.5","","Hill, R. J.; Jones, J. B.","The crystal structure of hopeite","American Mineralogist","1976","61","","987","995","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9000549","9.82","","11.67","","4.69","","90","","90","","90","","537.471","","","","","","","","","","","","amazonite pocket, Park County, Colorado, USA","4","P n m a","-P 2ac 2n","62","","","Barylite","- Ba Be2 O7 Si2 -","- Ba Be2 O7 Si2 -","- Ba4 Be8 O28 Si8 -","4","0.5","","Robinson, P. D.; Fang, J. H.","Barylite, BaBe2Si2O7: its space group and crystal structure","American Mineralogist","1977","62","","167","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00",""
"9000601","10.784","","6.708","","4.781","","90","","90","","90","","345.853","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Salesite","- Cu H I O4 -","- Cu H I O4 -","- Cu4 H4 I4 O16 -","4","0.5","","Ghose, S.; Wan, C.","Salesite, CuIO3(OH), and Cu(IO3)2*2H2O: A comparison of the crystal structures and their magnetic behavior","American Mineralogist","1978","63","","172","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:17",""
"9000771","8.258","","6.054","","14.383","","90","","90","","90","","719.063","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","Althausite","- F0.25 H0.37 Mg4 O8.56 P2 -","- F0.25 H0.37 Mg4 O8.56 P2 -","- F H1.48 Mg16 O34.24 P8 -","4","0.5","","Romming, C.; Raade, G.","The crystal structure of althausite, Mg4(PO4)2(OH,O)(F, )","American Mineralogist","1980","65","","488","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:43",""
"9000871","10.132","","12.537","","7.775","","90","","90","","90","","987.618","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","Sulfoborite","- B2 F H9 Mg3 O13 S -","- B2 F H9 Mg3 O13 S -","- B8 F4 H36 Mg12 O52 S4 -","4","0.5","","Giese, R. F.; Penna, G.","The crystal structure of sulfoborite, Mg3SO4(B(OH)4)2(OH)F","American Mineralogist","1983","68","","255","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:43",""
"9001024","9.1028","","5.5276","","7.3314","","90","","90","","90","","368.891","","","","","","","","","","","","from a stone quarry 60 km southeast of Amman, west-central Jordan","4","P n m a","-P 2ac 2n","62","","","Hashemite","- Ba Cr0.9 O4 S0.1 -","- Ba Cr0.9 O4 S0.1 -","- Ba4 Cr3.6 O16 S0.4 -","4","0.5","","Duesler, E. N.; Foord, E. E.","Crystal structure of hashemite, BaCrO4, a barite structure type","American Mineralogist","1986","71","","1217","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001354","9.246","","3.0927","","9.384","","90","","90","","90","","268.336","","","","","","","","","","","","Jumilla, Murcia province, southeast Spain","7","P n m a","-P 2ac 2n","62","","","Warwickite","- Al0.02 B Cr0.02 Fe0.85 Mg1.07 O4 Ti0.04 -","- Al0.02 B Cr0.02 Fe0.85 Mg1.07 O4 Ti0.04 -","- Al0.08 B4 Cr0.08 Fe3.4 Mg4.28 O16 Ti0.16 -","4","0.5","","Bigi, S.; Brigatti, M. F.; Capedri, S.","Crystal chemistry of Fe- and Cr-rich warwickite sample S1","American Mineralogist","1991","76","","1380","1388","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001355","9.226","","3.086","","9.369","","90","","90","","90","","266.749","","","","","","","","","","","","Jumilla, Murcia province, southeast Spain","7","P n m a","-P 2ac 2n","62","","","Warwickite","- Al0.01 B Cr0.23 Fe0.5 Mg1.14 O4 Ti0.12 -","- Al0.01 B Cr0.23 Fe0.5 Mg1.14 O4 Ti0.12 -","- Al0.04 B4 Cr0.92 Fe2 Mg4.56 O16 Ti0.48 -","4","0.5","","Bigi, S.; Brigatti, M. F.; Capedri, S.","Crystal chemistry of Fe- and Cr-rich warwickite sample S2","American Mineralogist","1991","76","","1380","1388","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001356","9.23","","3.0906","","9.378","","90","","90","","90","","267.519","","","","","","","","","","","","Jumilla, Murcia province, southeast Spain","7","P n m a","-P 2ac 2n","62","","","Warwickite","- Al0.04 B Cr0.18 Fe0.51 Mg1.15 O4 Ti0.12 -","- Al0.04 B Cr0.18 Fe0.51 Mg1.15 O4 Ti0.12 -","- Al0.16 B4 Cr0.72 Fe2.04 Mg4.6 O16 Ti0.48 -","4","0.5","","Bigi, S.; Brigatti, M. F.; Capedri, S.","Crystal chemistry of Fe- and Cr-rich warwickite sample S3","American Mineralogist","1991","76","","1380","1388","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001357","9.228","","3.084","","9.371","","90","","90","","90","","266.691","","","","","","","","","","","","Jumilla, Murcia province, southeast Spain","7","P n m a","-P 2ac 2n","62","","","Warwickite","- Al0.02 B Cr0.17 Fe0.47 Mg1.18 O4 Ti0.16 -","- Al0.02 B Cr0.17 Fe0.47 Mg1.18 O4 Ti0.16 -","- Al0.08 B4 Cr0.68 Fe1.88 Mg4.72 O16 Ti0.64 -","4","0.5","","Bigi, S.; Brigatti, M. F.; Capedri, S.","Crystal chemistry of Fe- and Cr-rich warwickite sample S4","American Mineralogist","1991","76","","1380","1388","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001358","9.246","","3.0993","","9.378","","90","","90","","90","","268.737","","","","","","","","","","","","Jumilla, Murcia province, southeast Spain","6","P n m a","-P 2ac 2n","62","","","Warwickite","- B Cr0.04 Fe0.65 Mg1.16 O4 Ti0.15 -","- B Cr0.04 Fe0.65 Mg1.16 O4 Ti0.15 -","- B4 Cr0.16 Fe2.6 Mg4.64 O16 Ti0.6 -","4","0.5","","Bigi, S.; Brigatti, M. F.; Capedri, S.","Crystal chemistry of Fe- and Cr-rich warwickite sample S5","American Mineralogist","1991","76","","1380","1388","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001359","9.242","","3.098","","9.383","","90","","90","","90","","268.651","","","","","","","","","","","","Jumilla, Murcia province, southeast Spain","7","P n m a","-P 2ac 2n","62","","","Warwickite","- Al0.02 B Cr0.02 Fe0.61 Mg1.18 O4 Ti0.17 -","- Al0.02 B Cr0.02 Fe0.61 Mg1.18 O4 Ti0.17 -","- Al0.08 B4 Cr0.08 Fe2.44 Mg4.72 O16 Ti0.68 -","4","0.5","","Bigi, S.; Brigatti, M. F.; Capedri, S.","Crystal chemistry of Fe- and Cr-rich warwickite sample S6","American Mineralogist","1991","76","","1380","1388","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001360","9.255","","3.0941","","9.402","","90","","90","","90","","269.235","","","","","","","","","","","","Jumilla, Murcia province, southeast Spain","7","P n m a","-P 2ac 2n","62","","","Warwickite","- Al0.01 B Cr0.23 Fe0.54 Mg1.12 O4 Ti0.1 -","- Al0.01 B Cr0.23 Fe0.54 Mg1.12 O4 Ti0.1 -","- Al0.04 B4 Cr0.92 Fe2.16 Mg4.48 O16 Ti0.4 -","4","0.5","","Bigi, S.; Brigatti, M. F.; Capedri, S.","Crystal chemistry of Fe- and Cr-rich warwickite sample S7","American Mineralogist","1991","76","","1380","1388","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001507","10.732","","15.672","","4.811","","90","","90","","90","","809.171","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Ribbeite","- H2 Mn5 O10 Si2 -","- H2 Mn5 O10 Si2 -","- H8 Mn20 O40 Si8 -","4","0.5","","Freed, R. L.; Rouse, R. C.; Peacor, D. R.","Ribbeite, a second example of edge-sharing silicate tetrahedra in the leucophoenicite group","American Mineralogist","1993","78","","190","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001566","8.894","","10.855","","9.079","","90","","90","","90","","876.526","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Fangite","- As S4 Tl3 -","- As S4 Tl3 -","- As4 S16 Tl12 -","4","0.5","","Wilson, J. R.; Sen Gupta, P. K.; Robinson, P. D.; Criddle, A. J.","Fangite, Tl3AsS4, a new thallium arsenic sulfosalt from the Mercur Au deposit, Utah, and revised optical data for gillulyite","American Mineralogist","1993","78","","1096","1103","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001803","16.212","","5.555","","10.034","","90","","90","","90","","903.639","","","","","","","","100","","","","","6","P n m a","-P 2ac 2n","62","","","Zoisite","- Al2.88 Ca2 Fe0.12 H O13 Si3 -","- Al2.88 Ca2 Fe0.12 H O13 Si3 -","- Al11.52 Ca8 Fe0.48 H4 O52 Si12 -","4","0.5","","Comodi, P.; Zanazzi, P. F.","The pressure behavior of clinozoisite and zoisite: An X-ray diffraction study Sample: P = .001 kbar, room conditions","American Mineralogist","1997","82","","61","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002158","9.9134","","3.0128","","4.58","","90","","90","","90","","136.791","","","","298.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Goethite","- Fe H O2 -","- Fe H O2 -","- Fe4 H4 O8 -","4","0.5","","Gualtieri, A.; Venturelli, P.","In situ study of the goethite-hematite phase transformation by real time synchrotron powder diffraction Sample at T = 25 C","American Mineralogist","1999","84","","895","904","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:13:12",""
"9002159","9.9189","","3.0148","","4.5835","","90","","90","","90","","137.063","","","","429.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Goethite","- Fe H O2 -","- Fe H O2 -","- Fe4 H4 O8 -","4","0.5","","Gualtieri, A.; Venturelli, P.","In situ study of the goethite-hematite phase transformation by real time synchrotron powder diffraction Sample at T = 156 C","American Mineralogist","1999","84","","895","904","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:13:12",""
"9002390","8.8221","","3.7728","","14.0076","","90","","90","","90","","466.229","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Suredaite","- Fe0.01 Pb0.92 S3 Sn1.07 -","- Fe0.01 Pb0.92 S3 Sn1.07 -","- Fe0.04 Pb3.68 S12 Sn4.28 -","4","0.5","","Paar, W. H.; Miletich, R.; Topa, D.; Criddle, A. J.; De Brodtkorb, M. K.; Amthauer, G.; Tippelt, G.","Suredaite, PbSnS3, a new mineral species, from the Pirquitas Ag-Sn deposit, NW-Argentina: Mineralogy and crystal structure","American Mineralogist","2000","85","","1066","1075","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002766","16.1913","","5.5488","","10.032","","90","","90","","90","","901.298","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca2 H O13 Si3 -","- Al3 Ca2 H O13 Si3 -","- Al12 Ca8 H4 O52 Si12 -","4","0.5","","Liebscher, A.; Gottschalk, M.; Franz, G.","The substitution Fe-Al and the isosymmetric displacive phase transition in synthetic zoisite: A powder X-ray and infrared spectroscopic study Sample: Zo3, X(Fe/(Fe+Al-2)) = 0.0","American Mineralogist","2002","87","","909","921","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30",""
"9002767","16.19","","5.5511","","10.0332","","90","","90","","90","","901.707","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","Zoisite","- Al2.965 Ca2 Fe0.035 H O13 Si3 -","- Al2.965 Ca2 Fe0.035 H O13 Si3 -","- Al11.86 Ca8 Fe0.14 H4 O52 Si12 -","4","0.5","","Liebscher, A.; Gottschalk, M.; Franz, G.","The substitution Fe-Al and the isosymmetric displacive phase transition in synthetic zoisite: A powder X-ray and infrared spectroscopic study Sample: Zo1, X(Fe/(Fe+Al-2)) = 0.035","American Mineralogist","2002","87","","909","921","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30",""
"9002768","16.2009","","5.5536","","10.0336","","90","","90","","90","","902.756","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","Zoisite","- Al2.938 Ca2 Fe0.062 H O13 Si3 -","- Al2.938 Ca2 Fe0.062 H O13 Si3 -","- Al11.752 Ca8 Fe0.248 H4 O52 Si12 -","4","0.5","","Liebscher, A.; Gottschalk, M.; Franz, G.","The substitution Fe-Al and the isosymmetric displacive phase transition in synthetic zoisite: A powder X-ray and infrared spectroscopic study Sample: Zo2, X(Fe/(Fe+Al-2)) = 0.062","American Mineralogist","2002","87","","909","921","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30",""
"9002769","16.1983","","5.5564","","10.0376","","90","","90","","90","","903.427","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","Zoisite","- Al2.904 Ca2 Fe0.096 H O13 Si3 -","- Al2.904 Ca2 Fe0.096 H O13 Si3 -","- Al11.616 Ca8 Fe0.384 H4 O52 Si12 -","4","0.5","","Liebscher, A.; Gottschalk, M.; Franz, G.","The substitution Fe-Al and the isosymmetric displacive phase transition in synthetic zoisite: A powder X-ray and infrared spectroscopic study Sample: Zo4, X(Fe/(Fe+Al-2)) = 0.096","American Mineralogist","2002","87","","909","921","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30",""
"9002770","16.1964","","5.558","","10.04","","90","","90","","90","","903.797","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","Zoisite","- Al2.884 Ca2 Fe0.116 H O13 Si3 -","- Al2.884 Ca2 Fe0.116 H O13 Si3 -","- Al11.536 Ca8 Fe0.464 H4 O52 Si12 -","4","0.5","","Liebscher, A.; Gottschalk, M.; Franz, G.","The substitution Fe-Al and the isosymmetric displacive phase transition in synthetic zoisite: A powder X-ray and infrared spectroscopic study Sample: Zo5, X(Fe/(Fe+Al-2)) = 0.116","American Mineralogist","2002","87","","909","921","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30",""
"9002809","5.792","","3.564","","6.691","","90","","90","","90","","138.12","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Allabogdanite","- Fe1.5 Ni0.5 P -","- Fe1.5 Ni0.5 P -","- Fe6 Ni2 P4 -","4","0.5","","Britvin, S. N.; Rudashevsky, N. S.; Krivovichev, S. V.; Burns, P. C.; Polekhovsky, Y. S.","Allabogdanite, (Fe,Ni)2P, a new mineral from the Onello meteorite: The occurence and crystal structure","American Mineralogist","2002","87","","1245","1249","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30",""
"9002888","14.0135","","20.7121","","6.9959","","90","","90","","90","","2030.55","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","Autunite","- Ca0.86 H22 O23 P2 U2 -","- Ca0.86 H22 O23 P2 U2 -","- Ca3.44 H88 O92 P8 U8 -","4","0.5","","Locock, A. J.; Burns, P. C.","The crystal structure of synthetic autunite, Ca[(UO2)(PO4)]2(H2O)11","American Mineralogist","2003","88","","240","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30",""
"9003065","16.8146","","25.2036","","13.3866","","90","","90","","90","","5673.09","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","Tamaite","- Ca H18 K Mn12 O61 Si20 -","- Ca H18 K Mn12 O61 Si20 -","- Ca4 H72 K4 Mn48 O244 Si80 -","4","0.5","","Hughes, J. M.; Rakovan, J. F.; Bracco, R.; Gunter, M. E.","The atomic arrangemetn of the ganophyllite-group modulated layer silicates as determined from the orthorhombic dimorph of tamaite, with the elusive 16.8 A ganophyllite-group superstructure revealed Note: signs of the y-coordinates for O24 and O25 have been changed","American Mineralogist","2003","88","","1324","1330","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003336","5.4268","","14.7631","","5.5969","","90","","90","","90","","448.403","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bx000_1","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003337","5.4217","","14.7432","","5.596","","90","","90","","90","","447.306","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Al0.114 Ca2 Fe1.886 O5 -","- Al0.114 Ca2 Fe1.886 O5 -","- Al0.456 Ca8 Fe7.544 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht005_2","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003338","5.414","","14.7163","","5.5947","","90","","90","","90","","445.752","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Al0.204 Ca2 Fe1.796 O5 -","- Al0.204 Ca2 Fe1.796 O5 -","- Al0.816 Ca8 Fe7.184 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht015_1","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003339","5.4071","","14.6949","","5.5941","","90","","90","","90","","444.489","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Al0.276 Ca2 Fe1.724 O5 -","- Al0.276 Ca2 Fe1.724 O5 -","- Al1.104 Ca8 Fe6.896 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht025_2","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003340","5.4027","","14.6779","","5.5923","","90","","90","","90","","443.471","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Al0.365 Ca2 Fe1.635 O5 -","- Al0.365 Ca2 Fe1.635 O5 -","- Al1.46 Ca8 Fe6.54 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht030_3","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003341","5.3986","","14.6631","","5.591","","90","","90","","90","","442.585","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Al0.408 Ca2 Fe1.592 O5 -","- Al0.408 Ca2 Fe1.592 O5 -","- Al1.632 Ca8 Fe6.368 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht035_1","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003342","5.3936","","14.6476","","5.5899","","90","","90","","90","","441.621","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Al0.441 Ca2 Fe1.559 O5 -","- Al0.441 Ca2 Fe1.559 O5 -","- Al1.764 Ca8 Fe6.236 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht040_2","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003343","5.3876","","14.6302","","5.5877","","90","","90","","90","","440.432","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Al0.46 Ca2 Fe1.54 O5 -","- Al0.46 Ca2 Fe1.54 O5 -","- Al1.84 Ca8 Fe6.16 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bf80i_2","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003459","11.282","","3.8296","","11.225","","90","","90","","90","","484.982","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Stibnite","- S3 Sb2 -","- S3 Sb2 -","- S12 Sb8 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample #1","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003460","11.311","","3.8389","","11.223","","90","","90","","90","","487.323","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Stibnite","- S3 Sb2 -","- S3 Sb2 -","- S12 Sb8 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample #2","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003461","11.2845","","3.822","","11.203","","90","","90","","90","","483.178","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Stibnite","- S3 Sb2 -","- S3 Sb2 -","- S12 Sb8 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample #3","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003462","11.3197","","3.8332","","11.233","","90","","90","","90","","487.407","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Stibnite","- S3 Sb2 -","- S3 Sb2 -","- S12 Sb8 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample #4","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003463","11.3122","","3.8428","","11.221","","90","","90","","90","","487.783","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Stibnite","- Bi0.064 S3 Sb1.936 -","- Bi0.064 S3 Sb1.936 -","- Bi0.256 S12 Sb7.744 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb1.935Bi.065S3","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003464","11.274","","3.8739","","11.16","","90","","90","","90","","487.406","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Stibnite","- Bi0.364 S3 Sb1.636 -","- Bi0.364 S3 Sb1.636 -","- Bi1.456 S12 Sb6.544 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb1.637Bi.363S3","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003465","11.318","","3.883","","11.226","","90","","90","","90","","493.358","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Stibnite","- Bi0.516 S3 Sb1.484 -","- Bi0.516 S3 Sb1.484 -","- Bi2.064 S12 Sb5.936 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb1.483Bi.517S3","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003466","11.309","","3.871","","11.1876","","90","","90","","90","","489.761","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Stibnite","- Bi0.536 S3 Sb1.464 -","- Bi0.536 S3 Sb1.464 -","- Bi2.144 S12 Sb5.856 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb1.463Bi.537S3","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003467","11.318","","3.8872","","11.228","","90","","90","","90","","493.98","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Stibnite","- Bi0.573 S3 Sb1.427 -","- Bi0.573 S3 Sb1.427 -","- Bi2.292 S12 Sb5.708 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb1.426Bi.574S3","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003468","11.256","","3.8966","","11.205","","90","","90","","90","","491.453","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi1.09 S3 Sb0.91 -","- Bi1.09 S3 Sb0.91 -","- Bi4.36 S12 Sb3.64 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb.910Bi1.090S3","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003469","11.336","","3.9562","","11.186","","90","","90","","90","","501.664","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi1.612 S3 Sb0.388 -","- Bi1.612 S3 Sb0.388 -","- Bi6.448 S12 Sb1.552 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb0.387Bi1.613S3","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003470","11.31","","3.9526","","11.119","","90","","90","","90","","497.063","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi1.638 S3 Sb0.362 -","- Bi1.638 S3 Sb0.362 -","- Bi6.552 S12 Sb1.448 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb0.362Bi1.638S3","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003471","11.318","","3.9547","","11.1631","","90","","90","","90","","499.652","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi1.68 S3 Sb0.32 -","- Bi1.68 S3 Sb0.32 -","- Bi6.72 S12 Sb1.28 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb0.320Bi1.680S3","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003472","11.316","","3.9709","","11.178","","90","","90","","90","","502.28","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample #1","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003473","11.345","","3.994","","11.193","","90","","90","","90","","507.176","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample #2","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003474","11.354","","3.9911","","11.188","","90","","90","","90","","506.984","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample #3","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003475","9.2734","","2.8638","","4.5219","","90","","90","","90","","120.089","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Ramsdellite","- Mn O2 -","- Mn O2 -","- Mn4 O8 -","4","0.5","","Post, J. E.; Heaney, P. J.","Neutron and synchrotron X-ray diffraction study of the structures and dehydration behaviors of ramsdellite and ""groutellite""","American Mineralogist","2004","89","","969","975","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003476","9.5155","","2.8644","","4.7061","","90","","90","","90","","128.27","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Groutellite","- Mn O2 -","- Mn O2 -","- Mn4 O8 -","4","0.5","","Post, J. E.; Heaney, P. J.","Neutron and synchrotron X-ray diffraction study of the structures and dehydration behaviors of ramsdellite and ""groutellite""","American Mineralogist","2004","89","","969","975","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003580","6.018","","3.7958","","14.495","","90","","90","","90","","331.111","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Chalcostibite","- Cu S2 Sb -","- Cu S2 Sb -","- Cu4 S8 Sb4 -","4","0.5","","Kyono, A.; Kimata, M.","Crystal structures of chalcostibite (CuSbS2) and emplectite (CuBiS2): Structural relationship of stereochemical activity between chalcostibite and emplectite","American Mineralogist","2005","90","","162","165","10.2138/am.2005.1585","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003581","6.134","","3.9111","","14.548","","90","","90","","90","","349.017","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Emplectite","- Bi Cu S2 -","- Bi Cu S2 -","- Bi4 Cu4 S8 -","4","0.5","","Kyono, A.; Kimata, M.","Crystal structures of chalcostibite (CuSbS2) and emplectite (CuBiS2): Structural relationship of stereochemical activity between chalcostibite and emplectite","American Mineralogist","2005","90","","162","165","10.2138/am.2005.1585","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003714","18.2872","","17.6797","","5.2784","","90","","90","","90","","1706.57","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Ferroholmquistite","- Al1.89 F0.03 Fe1.71 H1.97 K0.01 Li1.88 Mg1.47 Mn0.01 Na0.04 O23.97 Si8 -","- Al1.89 F0.03 Fe1.71 H1.97 K0.01 Li1.88 Mg1.47 Mn0.01 Na0.04 O23.97 Si8 -","- Al7.56 F0.12 Fe6.84 H7.88 K0.04 Li7.52 Mg5.88 Mn0.04 Na0.16 O95.88 Si32 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Greenbushes, W Australia","American Mineralogist","2005","90","","1167","1176","10.2138/am.2005.1793","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003715","18.277","","17.65","","5.2736","","90","","90","","90","","1701.21","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.97 F0.03 Fe1.23 H1.97 Li1.98 Mg1.8 Mn0.02 Na0.03 O23.97 Si7.99 Zn0.01 -","- Al1.97 F0.03 Fe1.23 H1.97 Li1.98 Mg1.8 Mn0.02 Na0.03 O23.97 Si7.99 Zn0.01 -","- Al7.88 F0.12 Fe4.92 H7.88 Li7.92 Mg7.2 Mn0.08 Na0.12 O95.88 Si31.96 Zn0.04 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: HS 119915 Siberia","American Mineralogist","2005","90","","1167","1176","10.2138/am.2005.1793","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003716","18.277","","17.646","","5.2792","","90","","90","","90","","1702.63","","","","","","","","","","","","","10","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.98 F0.02 Fe1.2 H1.98 Li1.71 Mg1.89 Mn0.01 Na0.03 O23.98 Si7.98 -","- Al1.98 F0.02 Fe1.2 H1.98 Li1.71 Mg1.89 Mn0.01 Na0.03 O23.98 Si7.98 -","- Al7.92 F0.08 Fe4.8 H7.92 Li6.84 Mg7.56 Mn0.04 Na0.12 O95.92 Si31.92 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Siberia","American Mineralogist","2005","90","","1167","1176","10.2138/am.2005.1793","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003717","18.2754","","17.6569","","5.2738","","90","","90","","90","","1701.79","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.76 F0.07 Fe1.2 H1.93 Li1.97 Mg2.01 Mn0.04 Na0.02 O23.93 Si8 Zn0.01 -","- Al1.76 F0.07 Fe1.2 H1.93 Li1.97 Mg2.01 Mn0.04 Na0.02 O23.93 Si8 Zn0.01 -","- Al7.04 F0.28 Fe4.8 H7.72 Li7.88 Mg8.04 Mn0.16 Na0.08 O95.72 Si32 Zn0.04 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Rwanda","American Mineralogist","2005","90","","1167","1176","10.2138/am.2005.1793","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003718","18.3345","","17.6955","","5.2764","","90","","90","","90","","1711.86","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.34 F0.09 Fe1.26 H1.91 Li1.98 Mg2.35 Mn0.04 Na0.05 O23.91 Si8 Zn0.01 -","- Al1.34 F0.09 Fe1.26 H1.91 Li1.98 Mg2.35 Mn0.04 Na0.05 O23.91 Si8 Zn0.01 -","- Al5.36 F0.36 Fe5.04 H7.64 Li7.92 Mg9.4 Mn0.16 Na0.2 O95.64 Si32 Zn0.04 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Zaire","American Mineralogist","2005","90","","1167","1176","10.2138/am.2005.1793","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003719","18.335","","17.693","","5.2743","","90","","90","","90","","1710.99","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.3 F0.13 Fe1.3 H1.87 Li1.93 Mg2.32 Mn0.06 Na0.1 O23.87 Si8 Zn0.01 -","- Al1.3 F0.13 Fe1.3 H1.87 Li1.93 Mg2.32 Mn0.06 Na0.1 O23.87 Si8 Zn0.01 -","- Al5.2 F0.52 Fe5.2 H7.48 Li7.72 Mg9.28 Mn0.24 Na0.4 O95.48 Si32 Zn0.04 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Uto, Sweden","American Mineralogist","2005","90","","1167","1176","10.2138/am.2005.1793","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003720","18.336","","17.693","","5.2755","","90","","90","","90","","1711.47","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.33 F0.1 Fe1.26 H1.9 Li1.93 Mg2.42 Mn0.04 Na0.05 O23.9 Si8 Zn0.01 -","- Al1.33 F0.1 Fe1.26 H1.9 Li1.93 Mg2.42 Mn0.04 Na0.05 O23.9 Si8 Zn0.01 -","- Al5.32 F0.4 Fe5.04 H7.6 Li7.72 Mg9.68 Mn0.16 Na0.2 O95.6 Si32 Zn0.04 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Norway","American Mineralogist","2005","90","","1167","1176","10.2138/am.2005.1793","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003869","11.543","","6.6764","","9.359","","90","","90","","90","","721.258","","","","","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","Mutnovskite","- As0.98 Bi0.02 Br0.09 Cl0.45 I0.46 Pb2 S2.979 Se0.021 -","- As0.98 Bi0.02 Br0.09 Cl0.45 I0.46 Pb2 S2.979 Se0.021 -","- As3.92 Bi0.08 Br0.36 Cl1.8 I1.84 Pb8 S11.916 Se0.084 -","4","0.5","","Zelenski, M.; Balic-Zunic T; Bindi, L.; Garavelli, A.; Makovicky, E.; Pinto, D.; Vurro, F.","First occurrence of iodine in natural sulfosalts: the case of mutnovskite, Pb2AsS3(I,Cl,Br), a new mineral from Mutnovsky volcano, Kamchatka Peninsula, Russian Federation Locality: Mutnovsky volcano, Kamchatka Peninsula, Russian Federation","American Mineralogist","2006","91","","21","28","10.2138/am.2006.1870","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004091","8.36","","5.352","","6.858","","90","","90","","90","","306.846","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Celestine","- O4 S Sr -","- O4 S Sr -","- O16 S4 Sr4 -","4","0.5","","Hawthorne, F. C.; Ferguson, R. B.","Anhydrous sulphates. I: Refinement of the crystal structure of celestite with an appendix on the structure of thenardite","The Canadian Mineralogist","1975","13","","181","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004122","8.8842","","5.4559","","7.1569","","90","","90","","90","","346.904","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Barite","- Ba O4 S -","- Ba O4 S -","- Ba4 O16 S4 -","4","0.5","","Hill R J","A further refinement of the barite structure","The Canadian Mineralogist","1977","15","","522","526","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004150","53.68","","4.11","","15.4","","90","","90","","90","","3397.62","","","","","","","","","","","","Falun, Sweden","5","P n m a","-P 2ac 2n","62","","","Weibullite","- Ag0.33 Bi8.34 Pb5.33 S15.03 Se2.97 -","- Ag0.33 Bi8.34 Pb5.33 S15.03 Se2.97 -","- Ag1.32 Bi33.36 Pb21.32 S60.12 Se11.88 -","4","0.5","","Mumme, W. G.","Weibullite Ag0.32Pb5.09Bi8.55Se6.08S11.92 from Falun, Sweden: A higher homologue of galenobismutite","The Canadian Mineralogist","1980","18","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004204","8.244","","6.043","","11.987","","90","","90","","90","","597.174","","","","","","","","","","","","Torre Capdulla, Lerida, Italy","4","P n m a","-P 2ac 2n","62","","","Antlerite","- Cu3 H4 O8 S -","- Cu3 H4 O8 S -","- Cu12 H16 O32 S4 -","4","0.5","","Hawthorne, F. C.; Groat, L. A.; Eby, R. K.","Antlerite, Cu3SO4(OH)4, a heteropolyhedral wallpaper structure","The Canadian Mineralogist","1989","27","","205","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9004394","7.667","","6.053","","9.316","","90","","90","","90","","432.34","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","Mottramite","- Cu H O5 Pb V -","- Cu H O5 Pb V -","- Cu4 H4 O20 Pb4 V4 -","4","0.5","","Cooper, M. A.; Hawthorne, F. C.","The crystal structure of mottramite, and the nature of Cu=Zn solid solution in the mottramite-descloizite series","The Canadian Mineralogist","1995","33","","1119","1124","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9004625","5.0453","","9.044","","18.366","","90","","90","","90","","838.035","","","","","","","","","","","","Fresno County, California, USA","4","P n m a","-P 2ac 2n","62","","","Bigcreekite","- Ba H8 O9 Si2 -","- Ba H8 O9 Si2 -","- Ba4 H32 O36 Si8 -","4","0.5","","Basciano, L. C.; Groat, L. A.; Roberts, A. C.; Gault, R. A.; Dunning, G. E.; Walstrom, R. E.","Bigcreekite: A new barium silicate mineral species from Fresno County, California Locality: Fresno County, California, USA","The Canadian Mineralogist","2001","39","","761","768","10.2113/gscanmin.39.3.761","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004784","22.7276","","11.5346","","7.4349","","90","","90","","90","","1949.09","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O9 Pb4 V2 -","- O9 Pb4 V2 -","- O72 Pb32 V16 -","8","1","","Krivovichev, S. V.; Burns, P. C.","Chains of edge-sharing OPb4 tetrahedra in the structure of Pb4O(VO4)2 and in related minerals and inorganic compounds","The Canadian Mineralogist","2003","41","","951","958","10.2113/gscanmin.41.4.951","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004835","8.141","","8.176","","9.038","","90","","90","","90","","601.577","","","","","","","","","","","","Dara-i-Pioz alkaline massif, Northern Tajikistan","4","P n m a","-P 2ac 2n","62","","","Maleevite","- B2 Ba O8 Si2 -","- B2 Ba O8 Si2 -","- B8 Ba4 O32 Si8 -","4","0.5","","Pautov, L. A.; Agakhanov, A. A.; Sokolova, E. V.; Hawthorne, F. C.","Maleevite, BaB2Si2O8, and pekovite, SrB2Si2O8, new mineral species from the Dara-i-Pioz alkaline massif, Northern Tajikistan: Description and crystal structure Locality: Dara-i-Pioz alkaline massif, Northern Tajikistan","The Canadian Mineralogist","2004","42","","107","119","10.2113/gscanmin.42.1.107","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004836","8.155","","7.919","","8.921","","90","","90","","90","","576.113","","","","","","","","","","","","Dara-i-Pioz alkaline massif, Northern Tajikistan","4","P n m a","-P 2ac 2n","62","","","Pekovite","- B2 O8 Si2 Sr -","- B2 O8 Si2 Sr -","- B8 O32 Si8 Sr4 -","4","0.5","","Pautov, L. A.; Agakhanov, A. A.; Sokolova, E. V.; Hawthorne, F. C.","Maleevite, BaB2Si2O8, and pekovite, SrB2Si2O8, new mineral species from the Dara-i-Pioz alkaline massif, Northern Tajikistan: Description and crystal structure Locality: Dara-i-Pioz alkaline massif, Northern Tajikistan","The Canadian Mineralogist","2004","42","","107","119","10.2113/gscanmin.42.1.107","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004910","14.042","","21.008","","6.997","","90","","90","","90","","2064.07","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H22 O23 P2 Sr0.795 U2 -","- H22 O23 P2 Sr0.795 U2 -","- H88 O92 P8 Sr3.18 U8 -","4","0.5","","Locock, A. J.; Burns, P. C.; Flynn, T. M.","Structures of strontium- and barium-dominant compounds that contain the autunite-type sheet Sample: SrUP11","The Canadian Mineralogist","2005","43","","721","733","10.2113/gscanmin.43.2.721","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004912","14.3778","","20.9611","","7.1703","","90","","90","","90","","2160.95","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- As2 H22 O23 Sr0.84 U2 -","- As2 H22 O23 Sr0.84 U2 -","- As8 H88 O92 Sr3.36 U8 -","4","0.5","","Locock, A. J.; Burns, P. C.; Flynn, T. M.","Structures of strontium- and barium-dominant compounds that contain the autunite-type sheet Sample: SrUAs11","The Canadian Mineralogist","2005","43","","721","733","10.2113/gscanmin.43.2.721","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005283","13.926","","6.958","","6.136","","90","","90","","90","","594.561","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca O8 P2 U -","- Ca O8 P2 U -","- Ca4 O32 P8 U4 -","4","0.5","","Dusausoy, Y.; Ghermani, N. E.; Podor, R.; Cuney, M.","Low-temperature ordered phase of CaU(PO4)2: synthesis and crystal structure","European Journal of Mineralogy","1996","8","","667","673","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005379","7.421","","6.754","","13.624","","90","","90","","90","","682.854","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Vergasovaite","- Cu3 Mo0.742 O9 S1.258 -","- Cu3 Mo0.742 O9 S1.258 -","- Cu12 Mo2.968 O36 S5.032 -","4","0.5","","Berlepsch, P.; Armbruster, T.; Brugger, J.; Bykova, E. Y.; Kartashov, P. M.","The crystal structure of vergasovaite Cu3O[(Mo,S)O4SO4], and its relation to synthetic Cu3O[MoO4]2","European Journal of Mineralogy","1999","11","","101","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005392","9.198","","3.091","","9.355","","90","","90","","90","","265.972","","","","","","","","","","","","Inglefield Land, North-West Greenland","8","P n m a","-P 2ac 2n","62","","","Yuanfuliite","- Al0.226 B Cr0.018 Fe0.717 Mg0.963 Mn0.005 O4 Ti0.07 -","- Al0.226 B Cr0.018 Fe0.717 Mg0.963 Mn0.005 O4 Ti0.07 -","- Al0.904 B4 Cr0.072 Fe2.868 Mg3.852 Mn0.02 O16 Ti0.28 -","4","0.5","","Appel, P. W. U.; Bigi, S.; Brigatti, M. F.","Crystal structure and chemistry of yuanfuliite and its relationships with warwickite Sample: 425359","European Journal of Mineralogy","1999","11","","483","491","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005393","9.174","","3.084","","9.337","","90","","90","","90","","264.168","","","","","","","","","","","","Inglefield Land, North-West Greenland","7","P n m a","-P 2ac 2n","62","","","Yuanfuliite","- Al0.283 B Cr0.005 Fe0.665 Mg0.969 O4 Ti0.077 -","- Al0.283 B Cr0.005 Fe0.665 Mg0.969 O4 Ti0.077 -","- Al1.132 B4 Cr0.02 Fe2.66 Mg3.876 O16 Ti0.308 -","4","0.5","","Appel, P. W. U.; Bigi, S.; Brigatti, M. F.","Crystal structure and chemistry of yuanfuliite and its relationships with warwickite Sample: 425360","European Journal of Mineralogy","1999","11","","483","491","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005422","10.862","","7.483","","5.15","","90","","90","","90","","418.594","","","","","","","","","","","","","16","P n m a","-P 2ac 2n","62","","","Aeschynite-(Y)","- Ca0.01 Ce0.005 Dy0.065 Er0.034 Gd0.068 Nb0.05 Nd0.011 O6 Pr0.001 Sm0.01 Th0.06 Ti1.95 U0.004 W0.03 Y0.639 Yb0.025 -","- Ca0.01 Ce0.005 Dy0.065 Er0.034 Gd0.068 Nb0.05 Nd0.011 O6 Pr0.001 Sm0.01 Th0.06 Ti1.95 U0.004 W0.03 Y0.639 Yb0.025 -","- Ca0.04 Ce0.02 Dy0.26 Er0.136 Gd0.272 Nb0.2 Nd0.044 O24 Pr0.004 Sm0.04 Th0.24 Ti7.8 U0.016 W0.12 Y2.556 Yb0.1 -","4","0.5","","Bonazzi, P.; Menchetti, S.","Crystal chemistry of aeschynite-(Y) from the Western Alps: residual electron density on difference-Fourier map Sample: TR1 Locality: western Alps","European Journal of Mineralogy","1999","11","6","1043","1049","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005423","10.803","","7.532","","5.18","","90","","90","","90","","421.487","","","","","","","","","","","","","17","P n m a","-P 2ac 2n","62","","","Aeschynite-(Y)","- Ca0.01 Ce0.009 Dy0.071 Er0.043 Gd0.072 La0.001 Nb0.03 Nd0.032 O6.02 Pr0.003 Sm0.034 Th0.12 Ti1.95 U0.02 W0.02 Y0.54 Yb0.03 -","- Ca0.01 Ce0.009 Dy0.071 Er0.043 Gd0.072 La0.001 Nb0.03 Nd0.032 O6.02 Pr0.003 Sm0.034 Th0.12 Ti1.95 U0.02 W0.02 Y0.54 Yb0.03 -","- Ca0.04 Ce0.036 Dy0.284 Er0.172 Gd0.288 La0.004 Nb0.12 Nd0.128 O24.08 Pr0.012 Sm0.136 Th0.48 Ti7.8 U0.08 W0.08 Y2.16 Yb0.12 -","4","0.5","","Bonazzi, P.; Menchetti, S.","Crystal chemistry of aeschynite-(Y) from the Western Alps: residual electron density on difference-Fourier map Sample: MI Locality: western Alps","European Journal of Mineralogy","1999","11","6","1043","1049","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005424","10.904","","7.49","","5.189","","90","","90","","90","","423.791","","","","","","","","","","","","","17","P n m a","-P 2ac 2n","62","","","Aeschynite-(Y)","- Ca0.02 Ce0.011 Dy0.079 Er0.034 Gd0.091 Nb0.09 Nd0.026 O6 Pr0.002 Sm0.016 Ta0.01 Th0.1 Ti1.81 U0.03 W0.11 Y0.55 Yb0.022 -","- Ca0.02 Ce0.011 Dy0.079 Er0.034 Gd0.091 Nb0.09 Nd0.026 O6 Pr0.002 Sm0.016 Ta0.01 Th0.1 Ti1.81 U0.03 W0.11 Y0.55 Yb0.022 -","- Ca0.08 Ce0.044 Dy0.316 Er0.136 Gd0.364 Nb0.36 Nd0.104 O24 Pr0.008 Sm0.064 Ta0.04 Th0.4 Ti7.24 U0.12 W0.44 Y2.2 Yb0.088 -","4","0.5","","Bonazzi, P.; Menchetti, S.","Crystal chemistry of aeschynite-(Y) from the Western Alps: residual electron density on difference-Fourier map Sample: TR2 Locality: western Alps","European Journal of Mineralogy","1999","11","6","1043","1049","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005425","10.881","","7.484","","5.156","","90","","90","","90","","419.871","","","","","","","","","","","","","16","P n m a","-P 2ac 2n","62","","","Aeschynite-(Y)","- Ce0.001 Dy0.076 Er0.041 Fe0.01 Gd0.056 Nb0.17 Nd0.005 O6 Sm0.013 Ta0.01 Th0.04 Ti1.8 U0.08 W0.06 Y0.61 Yb0.025 -","- Ce0.001 Dy0.076 Er0.041 Fe0.01 Gd0.056 Nb0.17 Nd0.005 O6 Sm0.013 Ta0.01 Th0.04 Ti1.8 U0.08 W0.06 Y0.61 Yb0.025 -","- Ce0.004 Dy0.304 Er0.164 Fe0.04 Gd0.224 Nb0.68 Nd0.02 O24 Sm0.052 Ta0.04 Th0.16 Ti7.2 U0.32 W0.24 Y2.44 Yb0.1 -","4","0.5","","Bonazzi, P.; Menchetti, S.","Crystal chemistry of aeschynite-(Y) from the Western Alps: residual electron density on difference-Fourier map Sample: CE - note: O1 z coordinate altered to match reported bond lengths Locality: western Alps","European Journal of Mineralogy","1999","11","6","1043","1049","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005426","11.031","","7.448","","5.188","","90","","90","","90","","426.24","","","","","","","","","","","","","19","P n m a","-P 2ac 2n","62","","","Aeschynite-(Y)","- Ca0.01 Ce0.005 Dy0.042 Er0.023 Fe0.03 Gd0.042 La0.001 Nb0.36 Nd0.015 O6 Pr0.001 Sm0.017 Ta0.22 Th0.07 Ti1.41 U0.04 W0.05 Y0.65 Yb0.018 -","- Ca0.01 Ce0.005 Dy0.042 Er0.023 Fe0.03 Gd0.042 La0.001 Nb0.36 Nd0.015 O6 Pr0.001 Sm0.017 Ta0.22 Th0.07 Ti1.41 U0.04 W0.05 Y0.65 Yb0.018 -","- Ca0.04 Ce0.02 Dy0.168 Er0.092 Fe0.12 Gd0.168 La0.004 Nb1.44 Nd0.06 O24 Pr0.004 Sm0.068 Ta0.88 Th0.28 Ti5.64 U0.16 W0.2 Y2.6 Yb0.072 -","4","0.5","","Bonazzi, P.; Menchetti, S.","Crystal chemistry of aeschynite-(Y) from the Western Alps: residual electron density on difference-Fourier map Sample: VV Locality: western Alps","European Journal of Mineralogy","1999","11","6","1043","1049","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005440","5.42","","14.743","","5.597","","90","","90","","90","","447.24","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Srebrodolskite","- Al0.135 Ca2 Fe1.865 O5 -","- Al0.135 Ca2 Fe1.865 O5 -","- Al0.54 Ca8 Fe7.46 O20 -","4","0.5","","Kahlenberg, V.; Fischer, R. X.","Crystal growth and cation distribution in doped dicalcium ferrite Ca2(Fe1-xMex)2O5 (Me=Al,Ga) Sample: Me = Al","European Journal of Mineralogy","2000","12","","129","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005441","5.42","","14.721","","5.599","","90","","90","","90","","446.732","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Srebrodolskite","- Ca2 Fe1.445 Ga0.555 O5 -","- Ca2 Fe1.445 Ga0.555 O5 -","- Ca8 Fe5.78 Ga2.22 O20 -","4","0.5","","Kahlenberg, V.; Fischer, R. X.","Crystal growth and cation distribution in doped dicalcium ferrite Ca2(Fe1-xMex)2O5 (Me=Al,Ga) Sample: Me = Ga","European Journal of Mineralogy","2000","12","","129","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005460","5.6906","","17.061","","9.732","","90","","90","","90","","944.854","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Rollandite","- As2 Cu3 H8 O12 -","- As2 Cu3 H8 O12 -","- As8 Cu12 H32 O48 -","4","0.5","","Sarp, H.; Cerny, R.","Rollandite, Cu3(AsO4)2.4H2O, a new mineral: its description and crystal structure","European Journal of Mineralogy","2000","12","","1045","1050","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:52:56",""
"9005510","11.879","","5.808","","9.505","","90","","90","","90","","655.781","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Mendipite","- Cl2 O2 Pb3 -","- Cl2 O2 Pb3 -","- Cl8 O8 Pb12 -","4","0.5","","Krivovichev, S. V.; Burns, P. C.","Crystal chemistry of lead oxide chlorides. I. Crystal structures of synthetic mendipite, Pb3O2Cl2, and synthetic damaraite, Pb3O2(OH)Cl","European Journal of Mineralogy","2001","13","","801","809","10.1127/0935-1221/2001/0013-0801","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005641","19.647","","10.087","","9.963","","90","","90","","90","","1974.46","","","","","","","","","","","","Tsumeb, Namibia","6","P n m a","-P 2ac 2n","62","","","Calcioandyrobertsite","- As5 Ca Cu5 H6 K O22 -","- As5 Ca Cu5 H6 K O22 -","- As20 Ca4 Cu20 H24 K4 O88 -","4","0.5","","Sarp, H.; Cerny, R.","Calcio-andyrobertsite-2O, KCaCu5(AsO4)4[AsO2(OH)2]*2H2O: its description, crystal structure and relation with calcio-andyrobertsite-1M Note: polytype 2O","European Journal of Mineralogy","2004","16","","163","169","10.1127/0935-1221/2004/0016-0163","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005673","9.455","","5.866","","8.668","","90","","90","","90","","480.754","","","","","","","","","","","","Tachgagalt mine, Morocco","4","P n m a","-P 2ac 2n","62","","","Jacquesdietrichite","- B Cu2 H5 O6 -","- B Cu2 H5 O6 -","- B4 Cu8 H20 O24 -","4","0.5","","Kampf, A. R.; Favreau, G.","Jacquesdietrichite, Cu2[BO(OH)2](OH)3, a new mineral from the Tachgagalt mine, Morocco: Description and crystal structure","European Journal of Mineralogy","2004","16","","361","366","10.1127/0935-1221/2004/0016-0361","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005700","4.69","","11.7875","","20.1823","","90","","90","","90","","1115.75","","","","","","","","","","","","Gfohl unit, Lower Austria","9","P n m a","-P 2ac 2n","62","","","Dumortierite","- Al6.64 B F0.021 Fe0.04 H0.81 Mg0.09 O17.979 Si2.84 Ti0.07 -","- Al6.64 B F0.021 Fe0.04 H0.81 Mg0.09 O17.979 Si2.84 Ti0.07 -","- Al26.56 B4 F0.084 Fe0.16 H3.24 Mg0.36 O71.916 Si11.36 Ti0.28 -","4","0.5","","Fuchs, Y.; Ertl, A.; Hughes, J. M.; Prowatke, S.; Brandstatter, F.; Schuster, R.","Dumortierite from the Gfohl unit, Lower Austria: chemistry, structure, and infra-red spectroscopy Sample: DUM1","European Journal of Mineralogy","2005","17","","173","183","10.1127/0935-1221/2005/0017-0173","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005701","4.6948","","11.8037","","20.2106","","90","","90","","90","","1119.99","","","","","","","","","","","","Gfohl unit, Lower Austria","9","P n m a","-P 2ac 2n","62","","","Dumortierite","- Al6.61 B F0.009 Fe0.02 H0.849 Mg0.12 O17.991 Si2.83 Ti0.09 -","- Al6.61 B F0.009 Fe0.02 H0.849 Mg0.12 O17.991 Si2.83 Ti0.09 -","- Al26.44 B4 F0.036 Fe0.08 H3.396 Mg0.48 O71.964 Si11.32 Ti0.36 -","4","0.5","","Fuchs, Y.; Ertl, A.; Hughes, J. M.; Prowatke, S.; Brandstatter, F.; Schuster, R.","Dumortierite from the Gfohl unit, Lower Austria: chemistry, structure, and infra-red spectroscopy Sample: DUM2","European Journal of Mineralogy","2005","17","","173","183","10.1127/0935-1221/2005/0017-0173","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005749","9.7226","","18.28","","5.427","","90","","90","","90","","964.536","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Rhomboclase","- Fe H9.384 O12 S2 -","- Fe H7 O12 S2 -","- Fe4 H28 O48 S8 -","4","0.5","","Majzlan J; Navrotsky A; McCleskey R B; Alpers C N","Thermodynamic properties and crystal structure refinement of ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5 Locality: synthetic","European Journal of Mineralogy","2006","18","","175","186","10.1127/0935-1221/2006/0018-0175","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007046","10.4597","","6.0818","","4.815","","90","","90","","90","","306.3","","","","153","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Fayalite","- Fe2 O4 Si -","- Fe2 O4 Si -","- Fe8 O16 Si4 -","4","0.5","","Lottermoser, W.; Steiner, K.; Grodzicki, M.; Jiang, K.; Scharfetter, G.; Bats, J. W.; Redhammer, G. J.; Treutmann, W.; Hosoya, S.; Amthauer, G.","The electric field gradient in synthetic fayalite alpha-Fe2SiO4 at moderate temperatures Sample: T = 153 K","Physics and Chemistry of Minerals","2002","29","","112","121","10.1007/s00269-001-0226-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007048","11.292","","3.828","","11.205","","90","","90","","90","","484.345","","","","128","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Stibnite","- S3 Sb2 -","- S3 Sb2 -","- S12 Sb8 -","4","0.5","","Kyono, A.; Kimata, M.; Matsuhisa, M.; Miyashita, Y.; Okamoto, K.","Low-temperature crystal structures of stibnite implying orbital overlap of Sb 5s2 inert pair electrons Sample: T = 128 K","Physics and Chemistry of Minerals","2002","29","","254","260","10.1007/s00269-001-0227-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007049","11.299","","3.828","","11.214","","90","","90","","90","","485.034","","","","173","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Stibnite","- S3 Sb2 -","- S3 Sb2 -","- S12 Sb8 -","4","0.5","","Kyono, A.; Kimata, M.; Matsuhisa, M.; Miyashita, Y.; Okamoto, K.","Low-temperature crystal structures of stibnite implying orbital overlap of Sb 5s2 inert pair electrons Sample: T = 173 K","Physics and Chemistry of Minerals","2002","29","","254","260","10.1007/s00269-001-0227-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007050","11.305","","3.836","","11.223","","90","","90","","90","","486.696","","","","225","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Stibnite","- S3 Sb2 -","- S3 Sb2 -","- S12 Sb8 -","4","0.5","","Kyono, A.; Kimata, M.; Matsuhisa, M.; Miyashita, Y.; Okamoto, K.","Low-temperature crystal structures of stibnite implying orbital overlap of Sb 5s2 inert pair electrons Sample: T = 225 K","Physics and Chemistry of Minerals","2002","29","","254","260","10.1007/s00269-001-0227-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007051","11.314","","3.837","","11.234","","90","","90","","90","","487.688","","","","293","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Stibnite","- S3 Sb2 -","- S3 Sb2 -","- S12 Sb8 -","4","0.5","","Kyono, A.; Kimata, M.; Matsuhisa, M.; Miyashita, Y.; Okamoto, K.","Low-temperature crystal structures of stibnite implying orbital overlap of Sb 5s2 inert pair electrons Sample: T = 293 K","Physics and Chemistry of Minerals","2002","29","","254","260","10.1007/s00269-001-0227-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007240","11.299","","3.8313","","11.227","","90","","90","","90","","486.015","","","","","","","","100","","","","","2","P n m a","-P 2ac 2n","62","","","Stibnite","- S3 Sb2 -","- S3 Sb2 -","- S12 Sb8 -","4","0.5","","Lundegaard, L. F.; Miletich, R.; Balic-Zunic T; Makovicky, E.","Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa Sample: Romania, P = 0.0001 GPa","Physics and Chemistry of Minerals","2003","30","","463","468","10.1007/s00269-003-0339-x","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007241","11.098","","3.8232","","11.091","","90","","90","","90","","470.59","","","","","","","","1115000","","","","","2","P n m a","-P 2ac 2n","62","","","Stibnite","- S3 Sb2 -","- S3 Sb2 -","- S12 Sb8 -","4","0.5","","Lundegaard, L. F.; Miletich, R.; Balic-Zunic T; Makovicky, E.","Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa Sample: Romania, P = 1.115 GPa","Physics and Chemistry of Minerals","2003","30","","463","468","10.1007/s00269-003-0339-x","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007242","11.044","","3.8124","","11.043","","90","","90","","90","","464.956","","","","","","","","1591000","","","","","2","P n m a","-P 2ac 2n","62","","","Stibnite","- S3 Sb2 -","- S3 Sb2 -","- S12 Sb8 -","4","0.5","","Lundegaard, L. F.; Miletich, R.; Balic-Zunic T; Makovicky, E.","Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa Sample: Romania, P = 1.591 GPa","Physics and Chemistry of Minerals","2003","30","","463","468","10.1007/s00269-003-0339-x","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007243","10.959","","3.806","","10.983","","90","","90","","90","","458.1","","","","","","","","2118000","","","","","2","P n m a","-P 2ac 2n","62","","","Stibnite","- S3 Sb2 -","- S3 Sb2 -","- S12 Sb8 -","4","0.5","","Lundegaard, L. F.; Miletich, R.; Balic-Zunic T; Makovicky, E.","Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa Sample: Romania, P = 2.118 GPa","Physics and Chemistry of Minerals","2003","30","","463","468","10.1007/s00269-003-0339-x","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007244","10.836","","3.7919","","10.884","","90","","90","","90","","447.213","","","","","","","","3235000","","","","","2","P n m a","-P 2ac 2n","62","","","Stibnite","- S3 Sb2 -","- S3 Sb2 -","- S12 Sb8 -","4","0.5","","Lundegaard, L. F.; Miletich, R.; Balic-Zunic T; Makovicky, E.","Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa Sample: Romania, P = 3.235 GPa","Physics and Chemistry of Minerals","2003","30","","463","468","10.1007/s00269-003-0339-x","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007245","10.529","","3.7458","","10.604","","90","","90","","90","","418.217","","","","","","","","7406000","","","","","2","P n m a","-P 2ac 2n","62","","","Stibnite","- S3 Sb2 -","- S3 Sb2 -","- S12 Sb8 -","4","0.5","","Lundegaard, L. F.; Miletich, R.; Balic-Zunic T; Makovicky, E.","Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa Sample: Romania, P = 7.406 GPa","Physics and Chemistry of Minerals","2003","30","","463","468","10.1007/s00269-003-0339-x","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007246","10.508","","3.7409","","10.579","","90","","90","","90","","415.854","","","","","","","","7832000","","","","","2","P n m a","-P 2ac 2n","62","","","Stibnite","- S3 Sb2 -","- S3 Sb2 -","- S12 Sb8 -","4","0.5","","Lundegaard, L. F.; Miletich, R.; Balic-Zunic T; Makovicky, E.","Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa Sample: Romania, P = 7.832 GPa","Physics and Chemistry of Minerals","2003","30","","463","468","10.1007/s00269-003-0339-x","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007373","11.311","","3.836","","11.229","","90","","90","","90","","487.215","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Stibnite","- S3 Sb2 -","- S3 Sb2 -","- S12 Sb8 -","4","0.5","","Caracas, R.; Gonze, X.","First-principles study of the electronic properties of A2B3 minerals, with A=Bi,Sb and B=S,Se Note: Hypothetical sulphosalt structure derived from density functional theory","Physics and Chemistry of Minerals","2005","32","","295","300","10.1007/s00269-005-0470-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007374","11.794","","3.986","","11.648","","90","","90","","90","","547.583","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Antimonselite","- Sb2 Se3 -","- Sb2 Se3 -","- Sb8 Se12 -","4","0.5","","Caracas, R.; Gonze, X.","First-principles study of the electronic properties of A2B3 minerals, with A=Bi,Sb and B=S,Se Note: Hypothetical sulphosalt structure derived from density functional theory","Physics and Chemistry of Minerals","2005","32","","295","300","10.1007/s00269-005-0470-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007375","11.305","","3.981","","11.147","","90","","90","","90","","501.673","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Caracas, R.; Gonze, X.","First-principles study of the electronic properties of A2B3 minerals, with A=Bi,Sb and B=S,Se Note: Hypothetical sulphosalt structure derived from density functional theory","Physics and Chemistry of Minerals","2005","32","","295","300","10.1007/s00269-005-0470-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007376","11.83","","4.09","","11.62","","90","","90","","90","","562.23","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Guanajuatite","- Bi2 Se3 -","- Bi2 Se3 -","- Bi8 Se12 -","4","0.5","","Caracas, R.; Gonze, X.","First-principles study of the electronic properties of A2B3 minerals, with A=Bi,Sb and B=S,Se Note: Hypothetical sulphosalt structure derived from density functional theory","Physics and Chemistry of Minerals","2005","32","","295","300","10.1007/s00269-005-0470-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007398","11.269","","3.9717","","11.129","","90","","90","","90","","498.102","","","","","","","","100","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T","Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Sample: P = .0001 GPa","Physics and Chemistry of Minerals","2005","32","","578","584","10.1007/s00269-005-0033-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007399","11.136","","3.9574","","11.035","","90","","90","","90","","486.308","","","","","","","","970000","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T","Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = .97 GPa","Physics and Chemistry of Minerals","2005","32","","578","584","10.1007/s00269-005-0033-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007400","10.987","","3.9353","","10.903","","90","","90","","90","","471.415","","","","","","","","2430000","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T","Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = 2.43 GPa","Physics and Chemistry of Minerals","2005","32","","578","584","10.1007/s00269-005-0033-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007401","10.907","","3.9191","","10.822","","90","","90","","90","","462.593","","","","","","","","3530000","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T","Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = 3.53 GPa","Physics and Chemistry of Minerals","2005","32","","578","584","10.1007/s00269-005-0033-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007402","10.758","","3.8833","","10.65","","90","","90","","90","","444.92","","","","","","","","5920000","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T","Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = 5.92 GPa","Physics and Chemistry of Minerals","2005","32","","578","584","10.1007/s00269-005-0033-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007403","10.701","","3.8655","","10.565","","90","","90","","90","","437.018","","","","","","","","7220000","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T","Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = 7.22 GPa","Physics and Chemistry of Minerals","2005","32","","578","584","10.1007/s00269-005-0033-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007404","10.659","","3.8525","","10.51","","90","","90","","90","","431.581","","","","","","","","8300000","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T","Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = 8.30 GPa","Physics and Chemistry of Minerals","2005","32","","578","584","10.1007/s00269-005-0033-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007405","10.634","","3.8423","","10.463","","90","","90","","90","","427.508","","","","","","","","9180000","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T","Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = 9.18 GPa","Physics and Chemistry of Minerals","2005","32","","578","584","10.1007/s00269-005-0033-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007444","8.58","","6.73","","4.77","","90","","90","","90","","275.436","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Zinkosite","- O4 S Zn -","- O4 S Zn -","- O16 S4 Zn4 -","4","0.5","","Kokkoros, P. A.; Rentzeperis, P. J.","The crystal structure of the anhydrous sulphates of copper and zinc","Acta Crystallographica","1958","11","","361","364","10.1107/S0365110X58000955","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007508","8.6588","","5.48","","7.0299","","90","","90","","90","","333.57","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Avogadrite","- B F4 K -","- B F4 K -","- B4 F16 K4 -","4","0.5","","Brunton, G.","The crystal structure of KBF4","Acta Crystallographica, Section B","1969","25","","2161","2162","10.1107/S0567740869005309","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007514","7.89","","7.84","","11.01","","90","","90","","90","","681.052","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Anilite","- Cu7 S4 -","- Cu7 S4 -","- Cu28 S16 -","4","0.5","","Koto, K.; Morimoto, N.","The crystal structure of anilite","Acta Crystallographica, Section B","1970","26","","915","924","10.1107/S0567740870003370","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007524","11.608","","4.0279","","11.275","","90","","90","","90","","527.172","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Aikinite","- Bi Cu Pb S3 -","- Bi Cu Pb S3 -","- Bi4 Cu4 Pb4 S12 -","4","0.5","","Kohatsu, I.; Wuensch, B. J.","The crystal structure of aikinite, PbCuBiS3 Note: B(3,3) altered for Pb and Cu, in order to reproduce Biso","Acta Crystallographica, Section B","1971","27","","1245","1252","10.1107/S0567740871003819","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007637","8.597","","5.235","","7.269","","90","","90","","90","","327.143","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- As O2 -","- As O2 -","- As8 O16 -","8","1","","Jones, P. G.; Beesk, W.; Sheldrick, G. M.; Schwarzmann, E.","Arsenic dioxide","Acta Crystallographica, Section B","1980","36","","439","440","10.1107/S0567740880003433","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007653","5.825","","3.4675","","6.0059","","90","","90","","90","","121.308","","","","463","","","","100","","","","","2","P n m a","-P 2ac 2n","62","","","","- Fe S -","- Fe S -","- Fe4 S4 -","4","0.5","","King, Jr, H. E.; Prewitt, C. T.","High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 463 K, P = 0.0001 GPa, MnP-type structure","Acta Crystallographica, Section B","1982","38","7","1877","1887","10.1107/S0567740882007523","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007654","5.716","","3.347","","5.797","","90","","90","","90","","110.905","","","","294","","","","4150000","","","","","2","P n m a","-P 2ac 2n","62","","","","- Fe S -","- Fe S -","- Fe4 S4 -","4","0.5","","King, Jr, H. E.; Prewitt, C. T.","High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 294 K, P = 4.15 GPa, MnP-type structure Note: a cell edge altered from value reported","Acta Crystallographica, Section B","1982","38","7","1877","1887","10.1107/S0567740882007523","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007655","5.65","","3.3155","","5.7426","","90","","90","","90","","107.574","","","","294","","","","6350000","","","","","2","P n m a","-P 2ac 2n","62","","","","- Fe S -","- Fe S -","- Fe4 S4 -","4","0.5","","King, Jr, H. E.; Prewitt, C. T.","High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 294 K, P = 6.35 GPa, MnP-type structure","Acta Crystallographica, Section B","1982","38","7","1877","1887","10.1107/S0567740882007523","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007708","8.365","0.003","18.745","0.004","5.654","0.002","90","","90","","90","","886.558","","","","159","","","","","","","","synthetic","2","P n m a","-P 2ac 2n","62","","","Kratochvilite","- C13 H10 -","- C13 H10 -","- C52 H40 -","4","0.5","","Gerkin, R. E.; Lundstedt, A. P.; Reppart, W. J.","Structure of fluorene, C~13~H~10~, at 159 K","Acta Crystallographica Section C","1984","40","11","1892","1894","10.1107/S0108270184009963","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:20:56",""
"9007718","6.03","","6.865","","9.12","","90","","90","","90","","377.531","","","","","","","","","","","","Mina La Farola, Chile","4","P n m a","-P 2ac 2n","62","","","Atacamite","- Cl Cu2 H3 O3 -","- Cl Cu2 H3 O3 -","- Cl4 Cu8 H12 O12 -","4","0.5","","Parise, J. B.; Hyde, B. G.","The structure of atacamite and its relationship to spinel","Acta Crystallographica, Section C","1986","42","","1277","1280","10.1107/S0108270186092570","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007746","7.64","","11.403","","5.965","","90","","90","","90","","519.664","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba H8 O5 -","- Ba H8 O5 -","- Ba4 H32 O20 -","4","0.5","","Lutz, H. D.; Kellersohn, T.; Vogt, T.","Hydrogen bonding in barium hydroxide trihydrate by neutron diffraction","Acta Crystallographica, Section C","1990","46","","361","363","10.1107/S0108270189006761","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007748","13.308","","7.769","","6.285","","90","","90","","90","","649.805","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- S4 Tm2 Zn -","- S4 Tm2 Zn -","- S16 Tm8 Zn4 -","4","0.5","","Lemoine, P.; Tomas, A.; Vovan, T.; Guittard, M.","Structure du sulfure de thulium et de zinc ZnTm2S4","Acta Crystallographica, Section C","1990","46","","365","368","10.1107/S0108270189007936","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007750","8.023","","11.29","","13.889","","90","","90","","90","","1258.06","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B2 Ba2 Cu O6 -","- B2 Ba2 Cu O6 -","- B16 Ba16 Cu8 O48 -","8","1","","Smith, R. W.; Keszler, D. A.","Structure of Ba2Cu(BO3)2","Acta Crystallographica, Section C","1990","46","","370","372","10.1107/S0108270189005950","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007754","13.182","","7.589","","9.286","","90","","90","","90","","928.955","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Mo3 N2 O10 -","- Mo3 N2 O10 -","- Mo12 N8 O40 -","4","0.5","","Range, K. J.; Fassler, A.","Diammonium trimolybdate(VI), (NH4)2Mo3O10","Acta Crystallographica, Section C","1990","46","","488","489","10.1107/S0108270189012047","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007791","7.973","","3.858","","5.753","","90","","90","","90","","176.961","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd Si -","- Gd Si -","- Gd4 Si4 -","4","0.5","","Nagaki, D. A.; Simon, A.","Structure of gadolinium monosilicide","Acta Crystallographica, Section C","1990","46","","1197","1199","10.1107/S0108270189011820","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007798","9.868","","10.082","","10.098","","90","","90","","90","","1004.64","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Al H14 Na O9.25 Si3 -","- Al H4.5 Na O9.25 Si3 -","- Al4 H18 Na4 O37 Si12 -","4","0.5","","Hansen, S.; Hakansson, U.; Falth, L.","Structure of synthetic zeolite Na-P2","Acta Crystallographica, Section C","1990","46","","1361","1362","10.1107/S010827018901262X","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9007807","6.866","","13.19","","6.909","","90","","90","","90","","625.697","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Scottyite","- Ba Cu2 O7 Si2 -","- Ba Cu2 O7 Si2 -","- Ba4 Cu8 O28 Si8 -","4","0.5","","Janczak, J.; Kubiak, R.; Glowiak, T.","Structure of barium copper pyrosilicate at 300 K","Acta Crystallographica, Section C","1990","46","","1383","1385","10.1107/S0108270189012618","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007821","30","","11.272","","16.053","","90","","90","","90","","5428.48","","","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C25 H12 Fe5 K7.64 N30 Na O10.47 -","- C25 H10.94 Fe5 K7.64 N30 Na O10.47 -","- C100 H43.76 Fe20 K30.56 N120 Na4 O41.88 -","4","0.5","","Marsh, R. E.","On the structure of 'potassium nitroprusside 0.8 hydrate'","Acta Crystallographica, Section C","1990","46","","1761","1763","10.1107/S0108270190000385","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9007829","12.633","","7.348","","5.901","","90","","90","","90","","547.774","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe0.303 Mg0.697 S3 Si0.5 -","- Fe0.303 Mg0.697 S3 Si0.5 -","- Fe1.212 Mg2.788 S12 Si2 -","4","0.5","","Fuhrmann, J.; Pickardt, J.","Synthesis and structure of magnesium iron thiosilicates (Mg1-xFex)2SiS4","Acta Crystallographica, Section C","1990","46","","1996","1998","10.1107/S0108270190002608","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007830","12.677","","7.405","","5.913","","90","","90","","90","","555.072","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe0.069 Mg0.931 S3 Si0.5 -","- Fe0.069 Mg0.931 S3 Si0.5 -","- Fe0.276 Mg3.724 S12 Si2 -","4","0.5","","Fuhrmann, J.; Pickardt, J.","Synthesis and structure of magnesium iron thiosilicates (Mg1-xFex)2SiS4","Acta Crystallographica, Section C","1990","46","","1996","1998","10.1107/S0108270190002608","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007855","16.133","","3.612","","5.983","","90","","90","","90","","348.644","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C2 Ag N3 -","- C2 Ag N3 -","- C8 Ag4 N12 -","4","0.5","","Britton, D.","Silver dicyanamide, AgN(CN)2 - orthorhombic modification","Acta Crystallographica, Section C","1990","46","","2297","2299","10.1107/S0108270190005479","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007882","11.662","","9.136","","8.007","","90","","90","","90","","853.098","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Er5 Sb3 -","- Er5 Sb3 -","- Er20 Sb12 -","4","0.5","","Borzone, G.; Fornasini, M. L.","Structure of Er5Sb3","Acta Crystallographica, Section C","1990","46","","2456","2457","10.1107/S0108270190005583","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007904","6.9944","","5.8925","","8.2495","","90","","90","","90","","339.999","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B Ga O4 Pb -","- B Ga O4 Pb -","- B4 Ga4 O16 Pb4 -","4","0.5","","Park, H.; Barbier, J.","PbGaBO4, an orthoborate with a new structure-type","Acta Crystallographica, Section E","2001","57","","i82","i84","10.1107/S1600536801013940","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007913","7.646","","6.179","","9.507","","90","","90","","90","","449.155","","","","","","","","","","","","Synthetic","5","P n m a","-P 2ac 2n","62","","","Pyrobelonite","- H Mn O5 Pb V -","- H Mn O5 Pb V -","- H4 Mn4 O20 Pb4 V4 -","4","0.5","","Kolitsch, U.","Refinement of pyrobelonite, PbMnIIVO4(OH), a member of the descloizite group","Acta Crystallographica, Section E","2001","57","","i119","i121","10.1107/S1600536801020037","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9007923","15.5758","","5.4976","","11.2826","","90","","90","","90","","966.124","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cl2 Hg N4 O6 -","- Cl2 H8 Hg N4 O6 -","- Cl8 H32 Hg4 N16 O24 -","4","0.5","","Nockemann, P.; Meyer, G.","Ammonium mercury(II) dichloride nitrate, (NH4)2HgCl2(NO3)2","Acta Crystallographica, Section E","2002","58","","i68","i69","10.1107/S1600536802011145","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007947","5.13","","10.56","","17.745","","90","","90","","90","","961.296","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3 Mo3 O12 Sc -","- Li3 Mo3 O12 Sc -","- Li12 Mo12 O48 Sc4 -","4","0.5","","Kolitsch, U.; Tillmanns, E.","Li3Sc(MoO4)3: substitutional disorder on three (Li,Sc) sites","Acta Crystallographica, Section E","2003","59","","i55","i58","10.1107/S1600536803004872","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9007960","9.6254","","7.0218","","12.3761","","90","","90","","90","","836.471","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Rb2 S4 W -","- Rb2 S4 W -","- Rb8 S16 W4 -","4","0.5","","Yao, J.; Ibers, J. A.","Dirubidium tetrathiotungstate, Rb2[WS4]","Acta Crystallographica, Section E","2004","60","","i10","i11","10.1107/S1600536804000169","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9007972","8.3723","","4.7404","","9.799","","90","","90","","90","","388.903","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Br Eu I -","- Br Eu I -","- Br4 Eu4 I4 -","4","0.5","","Liao, W.; Liu, X.; Dronskowski, R.","Europium(II) bromide iodide","Acta Crystallographica, Section E","2004","60","","i69","i71","10.1107/S160053680401075X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9007989","10.568","","18.258","","5.025","","90","","90","","90","","969.576","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Co H8 O12 P2 Zn2 -","- Co H8 O12 P2 Zn2 -","- Co4 H32 O48 P8 Zn8 -","4","0.5","","Wu, W. Y.; Liang, X. Q.; Li, Y. Z.","CoZn2(PO4)2*4H2O, a cobalt-doped modification of hopeite","Acta Crystallographica, Section E","2005","61","","i105","i107","10.1107/S1600536805014078","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9007990","10.562","","18.224","","5.0133","","90","","90","","90","","964.969","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H8 Ni O12 P2 Zn2 -","- H8 Ni O12 P2 Zn2 -","- H32 Ni4 O48 P8 Zn8 -","4","0.5","","Wu, W. Y.; Liang, X. Q.; Li, Y. Z.","NiZn2(PO4)2*4H2O, a nickel-doped modification of hopeite","Acta Crystallographica, Section E","2005","61","","i108","i110","10.1107/S160053680501408X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008011","6.02","","3.791","","14.485","","90","","90","","90","","330.574","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Chalcostibite","- Cu S2 Sb -","- Cu S2 Sb -","- Cu4 S8 Sb4 -","4","0.5","","Hofmann, W.","Strukturelle und morphologische zusammenhange bei erzen vom formeltyp ABC2","Zeitschrift fur Kristallographie","1932","84","","177","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008091","8.799","","5.319","","7.115","","90","","90","","90","","332.995","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O4 S Sn -","- O4 S Sn -","- O16 S4 Sn4 -","4","0.5","","Rentzeperis, P. J.","The crystal structure of the anhydrous stannous sulphate","Zeitschrift fur Kristallographie","1962","117","","431","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008106","8.377","","5.35","","6.873","","90","","90","","90","","308.027","","","","","","","","","","","","France Stone Company's quarry near Waterville, Ohio, USA","3","P n m a","-P 2ac 2n","62","","","Celestine","- O4 S Sr -","- O4 S Sr -","- O16 S4 Sr4 -","4","0.5","","Garske, D.; Peacor, D. R.","Refinement of the structure of celestite SrSO4","Zeitschrift fur Kristallographie","1965","121","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008198","6.02","","5.093","","8.376","","90","","90","","90","","256.807","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Strontianite","- C O3 Sr -","- C O3 Sr -","- C4 O12 Sr4 -","4","0.5","","Pannhorst, W.; Lohn, J.","Zur kristallstruktur von strontianit, SrCO3","Zeitschrift fur Kristallographie","1970","131","","455","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008200","11.638","","4.039","","11.319","","90","","90","","90","","532.06","","","","","","","","","","","","Beresowsk, Ural","4","P n m a","-P 2ac 2n","62","","","Aikinite","- Bi Cu Pb S3 -","- Bi Cu Pb S3 -","- Bi4 Cu4 Pb4 S12 -","4","0.5","","Ohmasa, M.; Nowacki, W.","A redetermination of the crystal structure of aikinite [BiS2|S|CuIVPbVII]","Zeitschrift fur Kristallographie","1970","132","","71","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008256","7.732","","6.078","","16.292","","90","","90","","90","","765.644","","","","","","","","","","","","1906 eruption of Vesuvius, Italy","5","P n m a","-P 2ac 2n","62","","","Chlorothionite","- Cl2 Cu K2 O4 S -","- Cl2 Cu K2 O4 S -","- Cl8 Cu4 K8 O16 S4 -","4","0.5","","Giacovazzo, C.; Scandale, E.; Scordari, F.","The crystal structure of chlorotionite, CuK2Cl2SO4","Zeitschrift fur Kristallographie","1976","144","","226","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008396","18.544","","18.026","","5.282","","90","","90","","90","","1765.64","","","","","","","","","","","","","9","P n m a","-P 2ac 2n","62","","","Anthophyllite","- Al0.05 Ca0.02 Fe1.24 H2 Mg5.71 Mn0.02 Na0.01 O24 Si7.95 -","- Al0.2 Ca0.08 Fe4.96 Mg22.84 Mn0.08 Na0.04 O96 Si31.8 -","- Al0.2 Ca0.08 Fe4.96 Mg22.84 Mn0.08 Na0.04 O96 Si31.8 -","","","","Walitzi, E. M.; Walter, F.; Ettinger, K.","Verfeinerung der kristallstruktur von anthophyllit vom Ochsenkogel/Gleinalpe, Osterreich","Zeitschrift fur Kristallographie","1989","188","","237","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:21:41",""
"9008398","9.763","","5.635","","9.558","","90","","90","","90","","525.829","","","","","","","","","","","","Gambatesa mine, Val Graveglia, Northern Apennines, Italy","4","P n m a","-P 2ac 2n","62","","","Gravegliaite","- H6 Mn O6 S -","- H6 Mn O6 S -","- H24 Mn4 O24 S4 -","4","0.5","","Basso, R.; Lucchetti, G.; Palenzona, A.","Gravegliaite, MnSO3*3H2O, a new mineral from Val Graveglia (Northern Apennines, Italy)","Zeitschrift fur Kristallographie","1991","197","","97","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:21:41",""
"9009263","11.4085","","4.086","","4.2813","","90","","90","","90","","199.573","","","","","","","","","","","","Radvanice near Trutnov, Czech Republic","4","P n m a","-P 2ac 2n","62","","","Teallite","- Pb0.39 S0.93 Se0.07 Sn0.61 -","- Pb1.56 S3.72 Se0.28 Sn2.44 -","- Pb1.56 S3.72 Se0.28 Sn2.44 -","","","","Sejkora, J.; Berlepsch, P.; Makovicky, E.; Balic-Zunic T; Litochleb, J.","Teallite from Radvanice near Trutnov (Czech Republic) Sample: Isotropic refinement","Neues Jahrbuch fur Mineralogie, Abhandlungen","2002","177","","163","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:24:06",""
"9009264","11.4085","","4.086","","4.2813","","90","","90","","90","","199.573","","","","","","","","","","","","Radvanice near Trutnov, Czech Republic","4","P n m a","-P 2ac 2n","62","","","Teallite","- Pb0.41 S0.93 Se0.07 Sn0.59 -","- Pb1.64 S3.72 Se0.28 Sn2.36 -","- Pb1.64 S3.72 Se0.28 Sn2.36 -","","","","Sejkora, J.; Berlepsch, P.; Makovicky, E.; Balic-Zunic T; Litochleb, J.","Teallite from Radvanice near Trutnov (Czech Republic) Sample: Anisotropic refinement","Neues Jahrbuch fur Mineralogie, Abhandlungen","2002","177","","163","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:24:06",""
"9009289","14.112","","10.885","","6.917","","90","","90","","90","","1062.51","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Br4 H2 O Pt Rb2 -","- Br4 H2 O Pt Rb2 -","- Br16 H8 O4 Pt4 Rb8 -","4","0.5","","Rodek, E.; Sterzel, W.; Bartl, H.; Schuckmann, W.","Kristallstruktur von Rb2PtBr4*H2O","Neues Jahrbuch fur Mineralogie, Monatshefte","1979","1979","","277","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009362","11.065","","7.527","","5.343","","90","","90","","90","","444.998","","","","","","","","","","","","Vigezzo Valley, Novara, Italy","6","P n m a","-P 2ac 2n","62","","","Vigezzite","- Ca0.75 Ce0.25 Nb0.95 O6 Ta0.63 Ti0.42 -","- Ca3 Ce Nb3.8 O24 Ta2.52 Ti1.68 -","- Ca3 Ce Nb3.8 O24 Ta2.52 Ti1.68 -","","","","Giuseppetti, G.; Tadini, P.","The crystal structure of vigezzite, (Ca,Ce)(Nb,Ta,Ti)2O6, intermediate term of the aeschynite series","Neues Jahrbuch fur Mineralogie, Monatshefte","1990","1990","","301","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:24:17",""
"9009473","4.6914","","11.896","","20.383","","90","","90","","90","","1137.55","","","","","","","","","","","","Greenbrushes, Australia","6","P n m a","-P 2ac 2n","62","","","Holtite","- Al6.43 B O17.25 Sb0.75 Si2.25 Ta0.27 -","- Al25.72 B4 O69 Sb3 Si9 Ta1.08 -","- Al25.72 B4 O69 Sb3 Si9 Ta1.08 -","","","","Hoskins, B. F.; Mumme, W. G.; Pryce, M. W.","Holtite, (Si2.25Sb0.75)B[Al6(Al0.43 Ta0.27[]0.30)O15(O,OH)2.25]: crystal structure and crystal chemistry","Mineralogical Magazine","1989","53","","457","463","10.1180/minmag.1989.053.372.05","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:24:29",""
"9009502","6.1413","","3.9191","","14.524","","90","","90","","90","","349.569","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Emplectite","- Bi Cu S2 -","- Bi4 Cu4 S8 -","- Bi4 Cu4 S8 -","","","","Razmara, M. F.; Henderson, C. M. B.; Pattrick, R. A. D.; Bell, A. M. T.; Charnock, L. M.","The crystal chemistry of the solid solution series between chalcostibite (CuSbS2) and emplectite (CuBiS2) Note: synthetic","Mineralogical Magazine","1997","61","","79","88","10.1180/minmag.1997.061.404.08","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:24:29",""
"9009503","6.016","","3.7968","","14.499","","90","","90","","90","","331.18","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Chalcostibite","- Cu S2 Sb -","- Cu4 S8 Sb4 -","- Cu4 S8 Sb4 -","","","","Razmara, M. F.; Henderson, C. M. B.; Pattrick, R. A. D.; Bell, A. M. T.; Charnock, L. M.","The crystal chemistry of the solid solution series between chalcostibite (CuSbS2) and emplectite (CuBiS2) Note: synthetic","Mineralogical Magazine","1997","61","","79","88","10.1180/minmag.1997.061.404.08","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:24:29",""
"9009506","8.408","","5.372","","6.897","","90","","90","","90","","311.522","","","","","","","","","","","","filling cavities of volcanoclastic rocks, Montecchio Maggiore, Vicenza, Italy","4","P n m a","-P 2ac 2n","62","","","Celestine","- Ba0.13 O4 S Sr0.87 -","- Ba0.52 O16 S4 Sr3.48 -","- Ba0.52 O16 S4 Sr3.48 -","","","","Brigatti, M. F.; Galli, E.; Medici, L.","Ba-rich celestine: new data and crystal structure refinement","Mineralogical Magazine","1997","61","","447","451","10.1180/minmag.1997.061.406.10","","","","","","","","","","","","","","","","","","","","","has coordinates","288012","2023-12-04","16:36:28",""
"9009515","8.79861","","5.73422","","7.27402","","90","","90","","90","","366.997","","","","1073","","","","","","","","Dundas, Tasmania","3","P n m a","-P 2ac 2n","62","","","Crocoite","- Cr O4 Pb -","- Cr4 O16 Pb4 -","- Cr4 O16 Pb4 -","","","","Knight, K. S.","A high temperature structural phase transition in crocoite (PbCrO4) at 1068 K: crystal structure refinement at 1073 K and thermal expansion tensor determination at 1000 K Sample: the high temperature form at T = 1073 K","Mineralogical Magazine","2000","64","","291","300","10.1180/002646100549193","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:24:31",""
"9009576","9.724","","18.333","","5.421","","90","","90","","90","","966.402","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Rhomboclase","- Fe H9 O12 S2 -","- Fe H7.62 O12 S2 -","- Fe4 H30.48 O48 S8 -","4","0.5","","Mereiter, K.","Die kristallstruktur von rhomboklas, H5O2+{Fe[SO4]2*2H2O}- Note: synthetic crystal","Tschermaks Mineralogische und Petrographische Mitteilungen","1974","21","","216","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:24:51",""
"9009773","10.667","","2.871","","4.554","","90","","90","","90","","139.466","","","","","","","","","","","","Nchwaning Mine, Kalahari manganese field, Republic of South Africa","3","P n m a","-P 2ac 2n","62","","","Groutite","- H Mn O2 -","- H4 Mn4 O8 -","- H4 Mn4 O8 -","","","","Kohler, T.; Armbruster, T.; Libowitzky, E.","Hydrogen bonding and Jahn-Teller distortion in groutite, alpha-MnOOH, and manganite, gamma-MnOOH, and their relations to the manganese dioxides ramsdellite and pyrolusite","Journal of Solid State Chemistry","1997","133","","486","500","10.1006/jssc.1997.7516","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:10",""
"9009805","8.4315","","5.0229","","7.2039","","90","","90","","90","","305.089","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- As O4 P -","- As4 O16 P4 -","- As4 O16 P4 -","","","","Bodenstein, D.; Brehm, A.; Jones, P. G.; Schwarzmann, E.; Sheldrick, G. M.","Preparation and crystal structure of arsenic(III) phosphorus(V) oxide, AsPO4","Zeitschrift fur Naturforschung B","1982","37","","136","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:10",""
"9009830","8.409","","6.709","","4.833","","90","","90","","90","","272.658","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Chalcocyanite","- Cu O4 S -","- Cu O4 S -","- Cu4 O16 S4 -","4","0.5","","Wildner, M.; Giester, G.","Crystal structure refinements of synthetic chalcocyanite (CuSO4) and zincosite (ZnSO4)","Mineralogy and Petrology","1988","39","","201","209","10.1007/BF01163035","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:10",""
"9009831","8.604","","6.746","","4.774","","90","","90","","90","","277.095","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Zinkosite","- O4 S Zn -","- O4 S Zn -","- O16 S4 Zn4 -","4","0.5","","Wildner, M.; Giester, G.","Crystal structure refinements of synthetic chalcocyanite (CuSO4) and zincosite (ZnSO4)","Mineralogy and Petrology","1988","39","","201","209","10.1007/BF01163035","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:10",""
"9009846","6.863","","15.387","","10.181","","90","","90","","90","","1075.12","","","","","","","","","","","","Ettringer Bellerberg volcano, Eifel, Germany","4","P n m a","-P 2ac 2n","62","","","Ternesite","- Ca5 O12 S Si2 -","- Ca20 O48 S4 Si8 -","- Ca20 O48 S4 Si8 -","","","","Irran, E.; Tillmanns, E.; Hentschel, G.","Ternesite, Ca5(SiO4)2SO4, a new mineral from the Ettringer Bellerberg/Eifel, Germany Locality: Ettringer Bellerberg volcano, Eifel, Germany","Mineralogy and Petrology","1997","60","","121","132","10.1007/BF01163138","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:10",""
"9009905","5.5329","","2.829","","11.4719","","90","","90","","90","","179.565","","","","","","","","","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Tongbaite","- C2 Cr3 -","- C8 Cr12 -","- C8 Cr12 -","","","","Rundqvist, S.; Runnsjo, G.","Crystal structure refinement of Cr3C2 Note: values obtained from intensities recorded photographically","Acta Chemica Scandinavica","1969","23","","1191","1199","10.3891/acta.chem.scand.23-1191","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:16",""
"9009906","5.5329","","2.829","","11.4719","","90","","90","","90","","179.565","","","","","","","","","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Tongbaite","- C2 Cr3 -","- C8 Cr12 -","- C8 Cr12 -","","","","Rundqvist, S.; Runnsjo, G.","Crystal structure refinement of Cr3C2 Note: values obtained from intensities measured with scintillation counter","Acta Chemica Scandinavica","1969","23","","1191","1199","10.3891/acta.chem.scand.23-1191","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:16",""
"9009911","5.9718","","3.8621","","6.3242","","90","","90","","90","","145.859","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Rh Sb -","- Rh4 Sb4 -","- Rh4 Sb4 -","","","","Endresen, K.; Furuseth, S.; Selte, K.; Kjekshus, A.; Rakke, T.; Andresen, A. F.","On the MnP type structure of RuSb and RhSb","Acta Chemica Scandinavica A","1977","31","","249","252","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9009912","5.9608","","3.7023","","6.5797","","90","","90","","90","","145.205","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ru Sb -","- Ru4 Sb4 -","- Ru4 Sb4 -","","","","Endresen, K.; Furuseth, S.; Selte, K.; Kjekshus, A.; Rakke, T.; Andresen, A. F.","On the MnP type structure of RuSb and RhSb","Acta Chemica Scandinavica A","1977","31","","249","252","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9009958","8.848","","9.55","","10.01","","90","","90","","90","","845.829","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ge3 O8 Rb -","- Al4 Ge12 O32 Rb4 -","- Al4 Ge12 O32 Rb4 -","","","","Tripathi, A.; Parise, J. B.","Hydrothermal synthesis and structural characterization of the aluminogermanate analogues of JBW, montesommaite, analcime and paracelsian Sample: Rb-AlGe-Para","Microporous and Mesoporous Materials","2002","52","","65","78","10.1016/S1387-1811(02)00270-6","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:23",""
"9010012","12.74","","13.63","","7.33","","90","","90","","90","","1272.83","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","Epididymite","- Be2 H Na2 O16 Si6 -","- Be2 H Na2 O16 Si6 -","- Be8 H4 Na8 O64 Si24 -","4","0.5","","Robinson, P. D.; Fang, J. H.","The crystal structure of epididymite Locality: Narsarsuk, Greenland","American Mineralogist","1970","55","","1541","1549","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010053","6.007","","3.602","","6.897","","90","","90","","90","","149.232","","","","","","","","","","","","Kaidun chondritic meteorite, South Yemen","5","P n m a","-P 2ac 2n","62","","","Florenskyite","- Fe Ni0.13 P0.97 Si0.03 Ti0.87 -","- Fe4 Ni0.52 P3.88 Si0.12 Ti3.48 -","- Fe4 Ni0.52 P3.88 Si0.12 Ti3.48 -","","","","Ivanov, A. V.; Zolensky, M. E.; Saito, A.; Ohsumi, K.; Yang, S. V.; Kononkova, N. N.; Mikouchi, T.","Florenskyite, FeTiP, a new phosphide from the Kaidun meteorite","American Mineralogist","2000","85","","1082","1086","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:23",""
"9010261","16.1941","","5.5505","","10.0483","","90","","90","","90","","903.195","","","","","","","","","","","","Synthetic","6","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca1.89 H O13 Si3 Sr0.11 -","- Al12 Ca7.56 H4 O52 Si12 Sr0.44 -","- Al12 Ca7.56 H4 O52 Si12 Sr0.44 -","","","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Au32, X(Sr) = .06","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:24",""
"9010262","16.2023","","5.5512","","10.0589","","90","","90","","90","","904.72","","","","","","","","","","","","Synthetic","6","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca1.74 H O13 Si3 Sr0.26 -","- Al12 Ca6.96 H4 O52 Si12 Sr1.04 -","- Al12 Ca6.96 H4 O52 Si12 Sr1.04 -","","","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Au40, X(Sr) = .13","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:24",""
"9010263","16.21","","5.5529","","10.0695","","90","","90","","90","","906.381","","","","","","","","","","","","Synthetic","6","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca1.68 H O13 Si3 Sr0.32 -","- Al12 Ca6.72 H4 O52 Si12 Sr1.28 -","- Al12 Ca6.72 H4 O52 Si12 Sr1.28 -","","","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Au45, X(Sr) = .16","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:24",""
"9010264","16.2384","","5.558","","10.0877","","90","","90","","90","","910.445","","","","","","","","","","","","Synthetic","6","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca1.57 H O13 Si3 Sr0.43 -","- Al12 Ca6.28 H4 O52 Si12 Sr1.72 -","- Al12 Ca6.28 H4 O52 Si12 Sr1.72 -","","","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Pt4, X(Sr) = .22","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:24",""
"9010265","16.2278","","5.5576","","10.0893","","90","","90","","90","","909.93","","","","","","","","","","","","Synthetic","6","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca1.5 H O13 Si3 Sr0.5 -","- Al12 Ca6 H4 O52 Si12 Sr2 -","- Al12 Ca6 H4 O52 Si12 Sr2 -","","","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Au31, X(Sr) = .25","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:24",""
"9010266","16.2383","","5.5603","","10.1019","","90","","90","","90","","912.099","","","","","","","","","","","","Synthetic","6","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca1.5 H O13 Si3 Sr0.5 -","- Al12 Ca6 H4 O52 Si12 Sr2 -","- Al12 Ca6 H4 O52 Si12 Sr2 -","","","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Au34, X(Sr) = .24","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:24",""
"9010267","16.2435","","5.5592","","10.1083","","90","","90","","90","","912.788","","","","","","","","","","","","Synthetic","6","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca1.37 H O13 Si3 Sr0.63 -","- Al12 Ca5.48 H4 O52 Si12 Sr2.52 -","- Al12 Ca5.48 H4 O52 Si12 Sr2.52 -","","","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Au30, X(Sr) = .32","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:24",""
"9010268","16.253","","5.563","","10.1196","","90","","90","","90","","914.968","","","","","","","","","","","","Synthetic","6","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca1.24 H O13 Si3 Sr0.76 -","- Al12 Ca4.96 H4 O52 Si12 Sr3.04 -","- Al12 Ca4.96 H4 O52 Si12 Sr3.04 -","","","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Au42, X(Sr) = .37","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:24",""
"9010269","16.2798","","5.5676","","10.1388","","90","","90","","90","","918.975","","","","","","","","","","","","Synthetic","6","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca1.15 H O13 Si3 Sr0.85 -","- Al12 Ca4.6 H4 O52 Si12 Sr3.4 -","- Al12 Ca4.6 H4 O52 Si12 Sr3.4 -","","","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Pt3, X(Sr) = .42","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:24",""
"9010270","16.2864","","5.5719","","10.1606","","90","","90","","90","","922.036","","","","","","","","","","","","Synthetic","6","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca0.96 H O13 Si3 Sr1.04 -","- Al12 Ca3.84 H4 O52 Si12 Sr4.16 -","- Al12 Ca3.84 H4 O52 Si12 Sr4.16 -","","","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Pt36, X(Sr) = .52","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:24",""
"9010271","16.3048","","5.5769","","10.1819","","90","","90","","90","","925.843","","","","","","","","","","","","Synthetic","6","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca0.73 H O13 Si3 Sr1.27 -","- Al12 Ca2.92 H4 O52 Si12 Sr5.08 -","- Al12 Ca2.92 H4 O52 Si12 Sr5.08 -","","","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Pt2, X(Sr) = .63","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:24",""
"9010272","16.3095","","5.5814","","10.1907","","90","","90","","90","","927.658","","","","","","","","","","","","Synthetic","6","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca0.67 H O13 Si3 Sr1.33 -","- Al12 Ca2.68 H4 O52 Si12 Sr5.32 -","- Al12 Ca2.68 H4 O52 Si12 Sr5.32 -","","","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Au23, X(Sr) = .66","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:24",""
"9010273","16.3229","","5.5871","","10.2132","","90","","90","","90","","931.42","","","","","","","","","","","","Synthetic","6","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca0.46 H O13 Si3 Sr1.54 -","- Al12 Ca1.84 H4 O52 Si12 Sr6.16 -","- Al12 Ca1.84 H4 O52 Si12 Sr6.16 -","","","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Au22, X(Sr) = .77","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:24",""
"9010274","16.3432","","5.5943","","10.2378","","90","","90","","90","","936.029","","","","","","","","","","","","Synthetic","6","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca0.28 H O13 Si3 Sr1.72 -","- Al12 Ca1.12 H4 O52 Si12 Sr6.88 -","- Al12 Ca1.12 H4 O52 Si12 Sr6.88 -","","","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Au33, X(Sr) = .86","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:24",""
"9010275","16.3376","","5.5936","","10.2407","","90","","90","","90","","935.857","","","","","","","","","","","","Synthetic","6","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca0.26 H O13 Si3 Sr1.74 -","- Al12 Ca1.04 H4 O52 Si12 Sr6.96 -","- Al12 Ca1.04 H4 O52 Si12 Sr6.96 -","","","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Au44, X(Sr) = .87","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:24",""
"9010276","16.3548","","5.5985","","10.26","","90","","90","","90","","939.43","","","","","","","","","","","","Synthetic","5","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 H O13 Si3 Sr2 -","- Al12 H4 O52 Si12 Sr8 -","- Al12 H4 O52 Si12 Sr8 -","","","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Au21, X(Sr) = 1","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:24",""
"9010453","10.4768","","20.8938","","6.164","","90","","90","","90","","1349.3","","","","","","","","","","","","Block 14 Opencut, Broken Hill, New South Wales, Australia","6","P n m a","-P 2ac 2n","62","","","Birchite","- Cd2 Cu2 H10 O17 P2 S -","- Cd2 Cu2 H10 O17 P2 S -","- Cd8 Cu8 H40 O68 P8 S4 -","4","0.5","","Elliot, P.; Brugger, J.; Pring, A.; Cole, M. L.; Willis, A. C.; Kolitsch, U.","Birchite, a new mineral from Broken Hill, New South Wales, Australia: Description and structure refinement","American Mineralogist","2008","93","","910","917","10.2138/am.2008.2732","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010482","12.7334","","13.6298","","7.3467","","90","","90","","90","","1275.05","","","","","","","","","","","","Malosa, Malawi","5","P n m a","-P 2ac 2n","62","","","Epididymite","- Be H Na O8 Si3 -","- Be H Na O8 Si3 -","- Be8 H8 Na8 O64 Si24 -","8","1","","Gatta, G. D.; Rotiroti, N.; McIntyre, G. J.; Guastoni, A.; Nestola, F.","New insights into the crystal chemistry of epididymite and eudidymite from Malosa, Malawi: A single-crystal neutron diffraction study","American Mineralogist","2008","93","","1158","1165","10.2138/am.2008.2965","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010589","9.982","","8.502","","4.548","","90","","90","","90","","385.975","","","","","","","","","","","","Byrud farm, Eidsvoll, Akershus, South Norway","4","P n m a","-P 2ac 2n","62","","","Byrudite","- Be0.84 O6 Ti1.5 V1.5 -","- Be3.36 O24 Ti6 V6 -","- Be3.36 O24 Ti6 V6 -","","","","Raade, G.; Balic-Zunic T","The crystal structure of (Be,_)(V,Ti)3O6, a mineral related to kyzylkumite","The Canadian Mineralogist","2006","44","","1147","1158","10.2113/gscanmin.44.5.1147","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:44",""
"9010629","7.389","","6.274","","7.0788","","90","","90","","90","","328.163","","","","","","","","","","","","Great Fissure Tolbachik eruption, Kamchatka Peninsula, Russia","3","P n m a","-P 2ac 2n","62","","","Pauflerite","- O5 S V -","- O20 S4 V4 -","- O20 S4 V4 -","","","","Krivovichev, S. V.; Vergasova, L. P.; Britvin, S. N.; Filatov, S. K.; Kahlenberg, V.; Ananiev, V. V.","Pauflerite, B-VO(SO4), a new mineral species from the Tolbachik volcano, Kamchatka Peninsula, Russia","The Canadian Mineralogist","2007","45","","921","927","10.2113/gscanmin.45.4.921","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:44",""
"9010734","9.7226","","18.28","","5.427","","90","","90","","90","","964.536","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Rhomboclase","- Fe H3.028 O12 S2 -","- Fe O12 S2 -","- Fe4 O48 S8 -","4","0.5","","Majzlan, J.; Navrotsky, A.; McCleskey, R. B.; Alpers, C. N.","Thermodynamic properties and crystal structure refinement of ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5 Locality: synthetic","European Journal of Mineralogy","2006","18","","175","186","10.1127/0935-1221/2006/0018-0175","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"9010926","9.4082","","5.479","","4.4288","","90","","90","","90","","228.294","","","","","","","","","","","","Malyshevo near Terem Tschanka, Sverdlovsk, Ural, Russia","4","P n m a","-P 2ac 2n","62","","","Chrysoberyl","- Al1.98 Be Cr0.02 O4 -","- Al7.92 Be4 Cr0.08 O16 -","- Al7.92 Be4 Cr0.08 O16 -","","","","Weber, S. U.; Grodzicki, M.; Lottermoser, W.; Redhammer, G. J.; Tippelt, G.; Ponahlo, J.; Amthauer, G.","57Fe Mossbauer spectroscopy, X-ray single-crystal diffractometry, and electronic structure calculations on natural alexandrite Note: changed O1(z) from .788822 to .78822","Physics and Chemistry of Minerals","2007","34","","507","515","10.1007/s00269-007-0166-6","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:22",""
"9011079","8.7684","","5.6237","","7.2039","","90","","90","","90","","355.23","","","","120","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","","- Cl K O4 -","- Cl4 K4 O16 -","- Cl4 K4 O16 -","","","","Marabello, D.; Bianchi, R.; Gervasio, G.; Cargnoni, F.","An experimental (120K) and theoretical electron-density study of KMnO4 and KClO4 Locality: synthetic Note: potassium perchlorate T = 120 K","Acta Crystallographica, Section A","2004","60","5","494","501","10.1107/S0108767304015260","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:22",""
"9011154","10.629","","18.339","","5.04","","90","","90","","90","","982.423","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Hopeite","- H8 O12 P2 Zn3 -","- H8 O12 P2 Zn3 -","- H32 O48 P8 Zn12 -","4","0.5","","Whitaker, A.","The crystal structure of hopeite, Zn3(PO4)2*4H2O","Acta Crystallographica, Section B","1975","31","","2026","2035","10.1107/S0567740875006784","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011206","7.593","","6.057","","9.416","","90","","90","","90","","433.049","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","Descloizite","- H O5 Pb V Zn -","- H O5 Pb V Zn -","- H4 O20 Pb4 V4 Zn4 -","4","0.5","","Hawthorne, F. C.; Faggiani, R.","Refinement of the structure of descloizite Note: anisoB's from ICSD","Acta Crystallographica, Section B","1979","35","","717","720","10.1107/S0567740879004519","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011236","8.878","","3.751","","14.02","","90","","90","","90","","466.885","","","","","","","","","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Ottemannite","- S3 Sn2 -","- S12 Sn8 -","- S12 Sn8 -","","","","Kniep, R.; Mootz, D.; Severin, U.; Wunderlich, H.","Structure of tin(II) tin(IV) trisulphide, a redetermination","Acta Crystallographica, Section B","1982","38","","2022","2023","10.1107/S0567740882007808","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:22",""
"9011241","14.147","","3.6496","","5.364","","90","","90","","90","","276.948","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Metamunirite","- Na O3 V -","- Na4 O12 V4 -","- Na4 O12 V4 -","","","","Kato, K.; Takayama, E.","Das entwaesserungsverhalten des natriummetavanadatdihydrats und die kristallstruktur des beta-natriummetavanadats Note: anisoB's corrected from ICSD","Acta Crystallographica, Section B","1984","40","2","102","105","10.1107/S0108768184001828","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:22",""
"9011266","20.078","","19.894","","13.372","","90","","90","","90","","5341.2","","","","","","","","","","","","Synthetic","5","P n m a","-P 2ac 2n","62","","","Mutinaite","- Ca4 H120 Na3 O252 Si85 -","- O192 Si96 -","- O192 Si96 -","","","","van Koningsveld, H.","High-temperature (350 K) orthorhombic framework structure of zeolite H-ZSM-5 Note: anisotropic thermal parameters obtained from ICSD","Acta Crystallographica, Section B","1990","46","6","731","735","10.1107/S0108768190007522","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:22",""
"9011379","13.452","","9.631","","7.003","","90","","90","","90","","907.282","","","","15","","","","100","","","","Synthetic","5","P n m a","-P 2ac 2n","62","","","Erythrosiderite","- Cl5 Fe H2 K2 O -","- Cl20 Fe4 H8 K8 O4 -","- Cl20 Fe4 H8 K8 O4 -","","","","Schultz, A. J.; Carlin, R. L.","Single-crystal pulsed neutron diffraction structure of the antiferromagnet K2[FeCl5(H2O)] with and without applied pressure Sample: P = .1 MPa Sample: T = 15 K","Acta Crystallographica, Section B","1995","51","1","43","47","10.1107/S0108768194008438","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:23",""
"9011380","13.391","","9.648","","6.942","","90","","90","","90","","896.881","","","","15","","","","140000","","","","Synthetic","5","P n m a","-P 2ac 2n","62","","","Erythrosiderite","- Cl5 Fe H2 K2 O -","- Cl20 Fe4 H8 K8 O4 -","- Cl20 Fe4 H8 K8 O4 -","","","","Schultz, A. J.; Carlin, R. L.","Single-crystal pulsed neutron diffraction structure of the antiferromagnet K2[FeCl5(H2O)] with and without applied pressure Sample: P = .14 GPa Sample: T = 15 K","Acta Crystallographica, Section B","1995","51","1","43","47","10.1107/S0108768194008438","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:23",""
"9011425","11.3107","","3.8363","","11.2285","","90","","90","","90","","487.219","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Stibnite","- S3 Sb2 -","- S12 Sb8 -","- S12 Sb8 -","","","","Bayliss, P.; Nowacki, W.","Refinement of the crystal structure of stibnite, Sb2S3","Zeitschrift fur Kristallographie","1972","135","","308","315","10.1524/zkri.1972.135.3-4.308","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:23",""
"9011480","20.108","","19.918","","13.392","","90","","90","","90","","5363.65","","","","","","","","","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Mutinaite","- O2 Si -","- O192 Si96 -","- O192 Si96 -","","","","Taylor, J. C.; Miller, S. A.; Bibby, D. M.","A study of decomposition methods for refinement of H±ZSM5 zeolite with powder diffraction data Note: dehydrated mutinaite","Zeitschrift fur Kristallographie","1986","176","","183","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:29",""
"9011776","23.42","","12.266","","7.181","","90","","90","","90","","2062.88","","","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","Strakhovite","- Ba3 F H4 Mn4 Na O22 Si6 -","- Ba3 F H4 Mn4 Na O22 Si6 -","- Ba12 F4 H16 Mn16 Na4 O88 Si24 -","4","0.5","","Yamnova, N. A.; Puscharovskii, D. Y.; Mernaf, T.; Kalinin, V. V.; Kalacheva, L. V.","Crystal structure of a new natural Na, Ba, Mn-fluorosilicate","Kristallografiya","1992","37","","345","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011812","22.194","","9.108","","5.7405","","90","","90","","90","","1160.4","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","","- C O5 Pb3 -","- C8 O40 Pb24 -","- C8 O40 Pb24 -","","","","Krivovichev, S. V.; Burns, P. C.","Crystal chemistry of basic lead carbonates. III. Crystal structures of Pb3O2(CO3) and NaPb2(OH)(CO3)2","Mineralogical Magazine","2000","64","","1077","1087","10.1180/002646100549896","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:04",""
"9011950","6.737","","15.508","","10.132","","90","","90","","90","","1058.56","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca5 O12 P2 Si -","- Ca5 O12 P2 Si -","- Ca20 O48 P8 Si4 -","4","0.5","","Dickens, B.; Brown, W. E.","The crystal structure of Ca5(PO4)2SiO4 (silico-carnotite)","Tschermaks Mineralogische und Petrographische Mitteilungen","1971","16","","1","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9011960","54.76","","4.03","","22.75","","90","","90","","90","","5020.53","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","Eclarite","- Bi11.4 Cu0.6 Fe0.4 Pb9 S28 Sb0.6 -","- Bi45.6 Cu2.4 Fe1.6 Pb36 S112 Sb2.4 -","- Bi45.6 Cu2.4 Fe1.6 Pb36 S112 Sb2.4 -","","","","Kupcik, V.","Die kristallstruktur des minerals eclarit, (Cu,Fe)Pb9Bi12S28","Tschermaks Mineralogische und Petrographische Mitteilungen","1984","32","","259","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:34",""
"9011991","7.38","","10.73","","11.14","","90","","90","","90","","882.148","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Fe2 S4 Tl3 -","- Fe8 S16 Tl12 -","- Fe8 S16 Tl12 -","","","","Welz, D.; Deppe, P.; Schaefer, W.; Sabrowsky, H.; Rosenberg, M.","Magnetism of iron-sulfur tetrahedral frameworks in compounds with thallium I. Chain structures","Journal of Physics and Chemistry of Solids","1989","50","","297","308","10.1016/0022-3697(89)90492-7","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:34",""
"9012092","10.553","","18.199","","5.031","","90","","90","","90","","966.224","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Hopeite","- H8 O12 P2 Zn3 -","- H8 O12 P2 Zn3 -","- H32 O48 P8 Zn12 -","4","0.5","","Kawahara, A.; Takano, Y.; Takahashi, M.","The structure of hopeite","Mineralogical Journal","1973","7","","289","297","10.2465/minerj1953.7.289","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012198","10.594","","18.333","","5.029","","90","","90","","90","","976.731","","","","","","","","","","","","Synthetic","5","P n m a","-P 2ac 2n","62","","","Hopeite","- H8 Mg0.62 O12 P2 Zn2.38 -","- H8 Mg0.62 O12 P2 Zn2.38 -","- H32 Mg2.48 O48 P8 Zn9.52 -","4","0.5","","Haussuhl, S.; Middendorf, B.; Dorffel, M.","Structure and properties of hopeites (MgxZn1-x)3(PO4)2*4H2O","Journal of Solid State Chemistry","1991","93","","9","16","10.1016/0022-4596(91)90268-M","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012213","25.1754","","6.9316","","11.2189","","90","","90","","90","","1957.76","","","","","","","","","","","","Synthetic","6","P n m a","-P 2ac 2n","62","","","Hazenite","- H28 K Mg2 Na O22 P2 -","- H28 K Mg2 Na O22 P2 -","- H112 K4 Mg8 Na4 O88 P8 -","4","0.5","","Yang, H.; Sun, H. J.","Crystal structure of a new phosphate compound, Mg2KNa(PO4)2*14H2O","Journal of Solid State Chemistry","2004","177","","2991","2997","10.1016/j.jssc.2004.05.008","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9012254","10.435","","7.345","","7.553","","90","","90","","90","","578.9","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","","- F7 In Mg Na2 -","- F28 In4 Mg4 Na8 -","- F28 In4 Mg4 Na8 -","","","","Caramanian, A.; Souron, J. P.; Gredin, P.; de Kozak, A.","The crystal structure of the weberite Na2MgInF7","Journal of Solid State Chemistry","2001","159","","234","238","10.1006/jssc.2001.9184","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:43",""
"9012419","20.201","","19.991","","13.469","","90","","90","","90","","5439.3","","","","","","","","","","","","Mt. Adamson, Northern Victoria Land, Antarctica","6","P n m a","-P 2ac 2n","62","","","Mutinaite","- Al2.808 Ca0.685 H44.28 Na0.444 O56.971 Si21.192 -","- Al2.808 Ca0.685 H17.942 Na0.444 O56.971 Si21.192 -","- Al11.232 Ca2.74 H71.768 Na1.776 O227.884 Si84.768 -","4","0.5","","Vezzalini, G.; Quartieri, S.; Galli, E.; Alberti, A.; Cruciani, G.; Kvick, A.","Crystal structure of the zeolite mutinaite, the natural analog of ZSM-5 Note: reported occupancies do not match reported chemistry","Zeolites","1997","19","","323","325","10.1016/S0144-2449(97)00124-3","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9012530","6.6129","","5.5208","","3.5219","","90","","90","","90","","128.579","","","","","","","","","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Montroydite","- Hg O -","- Hg4 O4 -","- Hg4 O4 -","","","","Aurivillius, K.","Least-squares refinement of the crystal structures of orthorhombic HgO and of Hg2O2NaI Locality: synthetic","Acta Chemica Scandinavica","1964","18","","1305","1306","10.3891/acta.chem.scand.18-1305","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9012584","5.16","","3.54","","5.87","","90","","90","","90","","107.224","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Langisite","- As Co0.9 Ni0.1 -","- As4 Co3.6 Ni0.4 -","- As4 Co3.6 Ni0.4 -","","","","Fjellvag, H.; Selte, K.; Stave, F. E.","On the structural and magnetic properties of Co1-tNitAs and CoAs1-xSbx","Acta Chemica Scandinavica A","1984","38","","687","691","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:05",""
"9012585","5.16","","3.54","","5.87","","90","","90","","90","","107.224","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Langisite","- As0.95 Co Sb0.05 -","- As3.8 Co4 Sb0.2 -","- As3.8 Co4 Sb0.2 -","","","","Fjellvag, H.; Selte, K.; Stave, F. E.","On the structural and magnetic properties of Co1-tNitAs and CoAs1-xSbx","Acta Chemica Scandinavica A","1984","38","","687","691","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:05",""
"9012587","11.068","","7.505","","5.378","","90","","90","","90","","446.725","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Rynersonite","- Ca O6 Ta2 -","- Ca4 O24 Ta8 -","- Ca4 O24 Ta8 -","","","","Jahnberg, L.","Crystal structure of orthorhombic CaTa2O6","Acta Chemica Scandinavica","1963","17","","2548","2559","10.3891/acta.chem.scand.17-2548","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:05",""
"9012597","13.706","","9.924","","7.024","","90","","90","","90","","955.393","","","","","","","","","","","","Synthetic","5","P n m a","-P 2ac 2n","62","","","Kremersite","- Cl5 Fe H10 N2 O -","- Cl20 Fe4 H40 N8 O4 -","- Cl20 Fe4 H40 N8 O4 -","","","","Figgis, B. N.; Raston, C. L.; Sharma, R. P.; White, A. H.","Crystal structure of diammonium aquapentachloroferrate(III)","Australian Journal of Chemistry","1978","31","","2717","2720","10.1071/CH9782717","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:05",""
"9012835","9.12","","7.99","","10.1","","90","","90","","90","","735.975","","","","","","","","","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","","- As4 S3 -","- As16 S12 -","- As16 S12 -","","","","Whitfield, H. J.","The crystal structure of tetra-arsenic trisulfide Note: ""alpha-dimorphite""","Journal of the Chemical Society A: Inorganic, Physical, Theoretical","1970","1970","","1800","1803","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:34",""
"9012836","11.21","","9.9","","6.58","","90","","90","","90","","730.242","","","","","","","","","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Dimorphite","- As4 S3 -","- As16 S12 -","- As16 S12 -","","","","Whitfield, H. J.","Crystal structure of the beta-form of tetraarsenic trisulphide","Journal of the Chemical Society, Dalton Transactions, Inorganic Chemistry","1973","1973","","1737","1738","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:34",""
"9012864","9.585","","13.143","","8.0884","","90","","90","","90","","1018.94","","","","","","","","","","","","Roua, northwestern part of Alpes-Maritimes, France","5","P n m a","-P 2ac 2n","62","","","Radovanite","- As3 Cu2 Fe H4 O11 -","- As3 Cu2 Fe H4 O11 -","- As12 Cu8 Fe4 H16 O44 -","4","0.5","","Sarp, H.; Guenee, L.","Radovanite, Cu2Fe3+(As5+O4)(As3+O2OH)2H2O, a new mineral: its description and crystal structure","Archives des Sciences, Geneve","2002","55","","47","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013159","5.833","","3.569","","6.658","","90","","90","","90","","138.606","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Andreyivanovite","- Cr Fe P -","- Cr4 Fe4 P4 -","- Cr4 Fe4 P4 -","","","","Kumar, S.; Krishnamurthy, A.; Srivastava, B. K.; Das, A.; Paranjpe, S. K.","Magnetization and neutron diffraction studies on FeCrP","Pramana - Journal of Physics","2004","63","","199","205","10.1007/BF02704973","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:29",""
"9013387","20.494","","11.89","","4.588","","90","","90","","90","","1117.97","","","","","","","","","","","","East Vekhoyan'ye region, northern Siberia","4","P n m a","-P 2ac 2n","62","","","Pertsevite-(OH)","- B3.112 Mg8 O16.026 Si1.028 -","- B12.448 Mg32 O64.104 Si4.112 -","- B12.448 Mg32 O64.104 Si4.112 -","","","","Galuskina, I. O.; Kadiyski, M.; Armbruster, T.; Galuskin, E. V.; Pertsev, N. N.; Dzierzanowski, P.; Wrzalik, R.","A new natural phase in the system Mg2SiO4-Mg2BO3F-Mg2BO3(OH): composition, paragenesis and structure of OH-dominant pertsevite","European Journal of Mineralogy","2008","20","","951","964","10.1127/0935-1221/2008/0020-1821","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013424","11.83","","4.09","","11.62","","90","","90","","90","","562.23","","","","","","","","","","","","Guanajuato, Mexico","2","P n m a","-P 2ac 2n","62","","","Guanajuatite","- Bi2 Se3 -","- Bi8 Se12 -","- Bi8 Se12 -","","","","Atabaeva, E. Y.; Mashkov, S. A.; Popova, S. V.","The crystal structure of a new modification of Bi2Se3-II","Kristallografiya","1973","18","","173","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013438","9.3246","","5.4992","","9.7892","","90","","90","","90","","501.969","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Heklaite","- F6 K Na Si -","- F24 K4 Na4 Si4 -","- F24 K4 Na4 Si4 -","","","","Fischer, J.; Kramer, V.","Crystal structure of KNaSiF_6_","Materials Research Bulletin","1991","26","","925","930","10.1016/0025-5408(91)90173-J","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013469","5.4253","","14.7687","","5.598","","90","","90","","90","","448.538","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Srebrodolskite","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","- Ca8 Fe8 O20 -","","","","Berggren, J.","Refinement of the crystal structure of dicalcium ferrite, Ca2Fe2O5","Acta Chemica Scandinavica","1971","25","","3616","3624","10.3891/acta.chem.scand.25-3616","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013788","11.476","","7.059","","26.971","","90","","90","","90","","2184.9","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","","- Cs3 O19 Si8 Y -","- Cs11.9992 O76 Si32 Y4 -","- Cs11.9992 O76 Si32 Y4 -","","","","Kolitsch, U.; Wierzbicka-Wieczorek M; Tillmanns, E.","Crystal chemistry and topology of two flux-grown yttrium silicates, BaKYSi2O7 and Cs3YSi8O19 Locality: synthetic","The Canadian Mineralogist","2009","47","","421","431","10.3749/canmin.47.2.421","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9013791","9.687","","18.204","","5.425","","90","","90","","90","","956.656","","","","180","","","","","","","","Alcoparrosa, Chile","4","P n m a","-P 2ac 2n","62","","","Rhomboclase","- Fe H9 O12 S2 -","- Fe H9 O12 S2 -","- Fe4 H36 O48 S8 -","4","0.5","","Peterson, R. C.; Valyashko, E.; Wang, R.","The atomic structure of (H3O)Fe3+(SO4)2 and rhomboclase, (H5O2)Fe3+(SO4)2*2H2O Locality: Alcoparrosa, Chile","The Canadian Mineralogist","2009","47","","625","634","10.3749/canmin.47.3.625","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9013798","8.4351","","15.7732","","8.4446","","90","","90","","90","","1123.54","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","Brontesite","- Br0.24 Cl4.86 H12 N2.9 Pb1.09 -","- Br0.96 Cl19.44 H48 N11.6 Pb4.36 -","- Br0.96 Cl19.44 H48 N11.6 Pb4.36 -","","","","Demartin, F.; Gramaccioli, C. M.; Campostrini, I.","Brontesite, (NH4)3PbCl5, a new product of fumarolic activity from La Fossa Crater, Vulcano, Aeolian Islands, Italy Locality: La Fossa Crater, Vulcano, Aeolian Islands, Italy","The Canadian Mineralogist","2009","47","","1237","1243","10.3749/canmin.47.5.1237","","","","","","","","","","","","","","","","","","","","","has coordinates","209104","2020-10-21","18:00:00",""
"9013821","12.734","","4.032","","14.633","","90","","90","","90","","751.309","","","","","","","","","","","","Angela mine, Los Manantiales district, Chubut province, Argentina","5","P n m a","-P 2ac 2n","62","","","Angelaite","- Ag Bi Cu1.98 Pb S4 -","- Ag4 Bi4 Cu7.92 Pb4 S16 -","- Ag4 Bi4 Cu7.92 Pb4 S16 -","","","","Topa, D.; Makovicky, E.; Putz, H.","The crystal structure of angelaite, Cu2AgPbBiS4","The Canadian Mineralogist","2010","48","","145","153","10.3749/canmin.48.1.145","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9013822","11.742","","4.0814","","14.522","","90","","90","","90","","695.949","","","","","","","","","","","","Angela mine, Los Manantiales district, Chubut province, Argentina","3","P n m a","-P 2ac 2n","62","","","Galenobismutite","- Bi2 Pb S4 -","- Bi8 Pb4 S16 -","- Bi8 Pb4 S16 -","","","","Topa, D.; Makovicky, E.; Putz, H.","The crystal structure of angelaite, Cu2AgPbBiS4","The Canadian Mineralogist","2010","48","","145","153","10.3749/canmin.48.1.145","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9013955","14.047","","7.805","","15.691","","90","","90","","90","","1720.31","","","","","","","","","","","","Clara Mine, Black Forest, Germany","3","P n m a","-P 2ac 2n","62","","","Mckinstryite","- Ag4.925 Cu3.075 S4 -","- Ag39.4 Cu24.6 S32 -","- Ag39.4 Cu24.6 S32 -","","","","Kolitsch, U.","The crystal structure and compositional range of mckinstryite","Mineralogical Magazine","2010","74","","73","84","10.1180/minmag.2010.074.1.73","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9013962","8.289","","6.079","","12.057","","90","","90","","90","","607.538","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Antlerite","- Cu3 H4 O8 S -","- Cu3 H4 O8 S -","- Cu12 H16 O32 S4 -","4","0.5","","Vilminot, S.; Richard-Plouet M; Andre, G.; Swierczynski, D.; Guillot, M.; Bouree-Vigneron F; Drillon, M.","Magnetic structure and properties of Cu3(OH)4SO4 made of triple chains of spins s=1/2,","Journal of Solid State Chemistry","2003","170","","255","264","10.1016/S0022-4596(02)00081-6","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9014111","16.1124","","5.4917","","9.911","","90","","90","","90","","876.97","","","","","","","","","","","","Merelani Hills, Tanzania","5","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca2 H O13 Si3 -","- Al3 Ca2 H O13 Si3 -","- Al12 Ca8 H4 O52 Si12 -","4","0.5","","Alvaro, M.; Angel, R. J.; Camara, F.","High-pressure behavior of zoisite Note: P = 4.025 GPa","American Mineralogist","2012","97","","1165","1176","10.2138/am.2012.4014","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014116","11.0563","","7.56","","5.3637","","90","","90","","90","","448.328","","","","","","","","","","","","Upper Fir carbonatite, Kamloops mining division, British Columbia, Canada","14","P n m a","-P 2ac 2n","62","","","Nioboaeschynite-(Ce)","- Ca0.25 Ce0.348 Fe0.03 Gd0.01 La0.12 Nb1.14 Nd0.14 O6 Pr0.04 Sm0.02 Sr0.01 Th0.06 Ti0.86 Y0.02 -","- Ca0.25 Ce0.348 Fe0.03 Gd0.01 La0.12 Nb1.14 Nd0.14 O6 Pr0.04 Sm0.02 Sr0.01 Th0.06 Ti0.86 Y0.02 -","- Ca Ce1.392 Fe0.12 Gd0.04 La0.48 Nb4.56 Nd0.56 O24 Pr0.16 Sm0.08 Sr0.04 Th0.24 Ti3.44 Y0.08 -","4","0.5","","Morrison, S. M.; Downs, R. T.; Domanik, K. J.; Yang, H.; Doell, D.","Nioboaeschynite-(Ce), Ce(NbTi)O6","Acta Crystallographica, Section E","2012","68","8","i64","i65","10.1107/S1600536812031765","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014151","11.055","","7.658","","5.578","","90","","90","","90","","472.229","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","","- La0.4 Nb2 O6 Sr0.6 -","- La1.6 Nb8 O24 Sr2.4 -","- La1.6 Nb8 O24 Sr2.4 -","","","","Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M.","Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]","Materials Research Bulletin","1994","29","","743","749","10.1016/0025-5408(94)90199-6","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014173","14.6464","","11.0786","","5.691","","90","","90","","90","","923.431","","","","","","","","","","","","Jachymov, Czech Republic","4","P n m a","-P 2ac 2n","62","","","Behounekite","- H8 O12 S2 U -","- H8 O12 S2 U -","- H32 O48 S8 U4 -","4","0.5","","Plasil, J.; Fejfarova, K.; Novak, M.; Dusek, M.; Skoda, R.; Hlousek, J.; Cejka, J.; Majzlan, J.; Sejkora, J.; Machovic, V.; Talla, D.","Behounekite, U(SO4)2(H2O)4, From Jachymov (St Joachimsthal), Czech Republic: the first natural U4+ sulphate","Mineralogical Magazine","2011","75","","2739","2753","10.1180/minmag.2011.075.6.2739","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014265","11.356","","3.754","","5.453","","90","","90","","90","","232.464","","","","","","","","","","","","Grube Gabe Gottes near Sainte-Marie-aux-Mines, France","3","P n m a","-P 2ac 2n","62","","","Lautite","- As Cu S -","- As4 Cu4 S4 -","- As4 Cu4 S4 -","","","","Marumo, F.; Nowacki, W.","The crystal structure of lautite and of sinnerite, a new mineral from the Lengenbach Quarry","Schweizerische Mineralogische und Petrographische Mitteilungen","1964","44","","439","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014297","10.20141","","5.98348","","4.75534","","90","","90","","90","","290.266","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Forsterite","- Mg2 O4 Si -","- Mg8 O16 Si4 -","- Mg8 O16 Si4 -","","","","Yamazaki, S.; Toraya, H.","Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo","Journal of Applied Crystallography","1999","32","","51","59","10.1107/S0021889898010206","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014319","5.3422","","14.5385","","5.5277","","90","","90","","90","","429.323","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","- Ca8 Fe8 O20 -","","","","Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.","The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 6.326 GPa","Physics and Chemistry of Minerals","2008","35","","493","504","10.1007/s00269-008-0244-4","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014320","10.60016","","6.25753","","4.90338","","90","","90","","90","","325.245","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Tephroite","- Mn2 O4 Si -","- Mn8 O16 Si4 -","- Mn8 O16 Si4 -","","","","Yamazaki, S.; Toraya, H.","Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1","Journal of Applied Crystallography","1999","32","","51","59","10.1107/S0021889898010206","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014371","5.3246","","14.4819","","5.511","","90","","90","","90","","424.955","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","- Ca8 Fe8 O20 -","","","","Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.","The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 8.167 GPa","Physics and Chemistry of Minerals","2008","35","","493","504","10.1007/s00269-008-0244-4","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014378","4.695","","11.906","","20.38","","90","","90","","90","","1139.21","","","","","","","","","","","","Voroni Tundry deposit, Kola Peninsula, Russia","8","P n m a","-P 2ac 2n","62","","","Holtite","- Al6.24 As0.13 B H0.52 O17.499 Sb0.343 Si2.499 Ta0.248 -","- Al6.24 As0.13 B H0.52 O17.499 Sb0.343 Si2.499 Ta0.248 -","- Al24.96 As0.52 B4 H2.08 O69.996 Sb1.372 Si9.996 Ta0.992 -","4","0.5","","Kazantsev, S. S.; Zubkova, N. V.; Voloshin, A. V.","Refinement of composition and structure of holtite I","Crystallography Reports","2006","51","","412","413","10.1134/S1063774506030084","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014384","6.8556","","13.1725","","6.8901","","90","","90","","90","","622.213","","","","","","","","","","","","Wessels mine, Kalahari Manganese Fields, South Africa","4","P n m a","-P 2ac 2n","62","","","Scottyite","- Ba Cu2 O7 Si2 -","- Ba4 Cu8 O28 Si8 -","- Ba4 Cu8 O28 Si8 -","","","","Yang, H.; Downs, R. T.; Evans, S. H.; Pinch, W. W.","Scottyite, the natural analog of synthetic BaCu2Si2O7, a new mineral from the Wessels mine, Kalahari Manganese Fields, South Africa","American Mineralogist","2013","98","","478","484","10.2138/am.2013.4326","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014389","4.6901","","11.7874","","20.1872","","90","","90","","90","","1116.03","","","","","","","","","","","","west shore of Lake Uvildy in the Ilmen Mountains, southern Urals, Russia","6","P n m a","-P 2ac 2n","62","","","Dumortierite","- Al6.668 As0.087 B O17.898 Sb0.022 Si2.89 -","- Al26.672 As0.3488 B4 O71.592 Sb0.0876 Si11.56 -","- Al26.672 As0.3488 B4 O71.592 Sb0.0876 Si11.56 -","","","","Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A.","The crystal chemistry of As- and Sb-bearing dumortierite Sample: D27","The Canadian Mineralogist","2012","50","","855","872","10.3749/canmin.50.4.855","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014394","4.6871","","11.7901","","20.1825","","90","","90","","90","","1115.31","","","","","","","","","","","","Tonagh Island in Amundsen Bay, Enderby Land, East Antarctica","6","P n m a","-P 2ac 2n","62","","","Dumortierite","- Al6.809 As0.099 B O17.876 Sb0.025 Si2.876 -","- Al27.236 As0.3968 B4 O71.5032 Sb0.0992 Si11.5032 -","- Al27.236 As0.3968 B4 O71.5032 Sb0.0992 Si11.5032 -","","","","Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A.","The crystal chemistry of As- and Sb-bearing dumortierite Sample: D31","The Canadian Mineralogist","2012","50","","855","872","10.3749/canmin.50.4.855","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014452","11.018","","7.672","","5.575","","90","","90.25","","90","","471.251","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","","- La0.1 Nb2 O6 Sr0.9 -","- La0.4 Nb8 O24 Sr3.6 -","- La0.4 Nb8 O24 Sr3.6 -","","","","Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M.","Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]","Materials Research Bulletin","1994","29","","743","749","10.1016/0025-5408(94)90199-6","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014515","10.9511","","7.5288","","5.3829","","90","","90","","90","","443.813","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Tantalaeschynite-(Pr)","- O6 Pr Ta Ti -","- O24 Pr4 Ta4 Ti4 -","- O24 Pr4 Ta4 Ti4 -","","","","Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.","Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide","Solid State Sciences","2010","12","","1263","1269","10.1016/j.solidstatesciences.2010.02.036","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014567","10.804","","19.003","","5.112","","90","","90","","90","","1049.54","","","","","","","","","","","","Tsumeb, Namibia","7","P n m a","-P 2ac 2n","62","","","Arsenohopeite","- As2 Fe0.08 H7 Mg0.05 Mn0.05 O12 Zn2.82 -","- As2 Fe0.08 H7 Mg0.05 Mn0.05 O12 Zn2.82 -","- As8 Fe0.32 H28 Mg0.2 Mn0.2 O48 Zn11.28 -","4","0.5","","Neuhold, F.; Kolitsch, U.; Bernhardt, H. J.; Lengauer, C. L.","Arsenohopeite, a new zinc arsenate mineral from the Tsumeb mine, Namibia","Mineralogical Magazine","2012","76","","603","612","10.1180/minmag.2012.076.3.11","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014579","4.695","","11.906","","20.38","","90","","90","","90","","1139.21","","","","","","","","","","","","Voroni Tundry deposit, Kola Peninsula, Russia","8","P n m a","-P 2ac 2n","62","","","Holtite","- Al6.454 As0.21 B H O17.64 Sb0.36 Si2.43 Ta0.258 -","- Al6.454 As0.21 B H O17.64 Sb0.36 Si2.43 Ta0.258 -","- Al25.816 As0.84 B4 H4 O70.56 Sb1.44 Si9.72 Ta1.032 -","4","0.5","","Kazantsev, S. S.; Pushcharovsky, D. Y.; Pasero, M.; Merlino, S.; Zubkova, N. V.; Kabalov, Y. K.; Voloshin, A. V.","Crystal structure of holtite I","Crystallography Reports","2005","50","","42","47","10.1134/1.1857243","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014610","4.6893","","11.881","","20.394","","90","","90","","90","","1136.22","","","","","","","","","","","","Kola Peninsula, Russia","7","P n m a","-P 2ac 2n","62","","","Holtite","- Al6.12 As0.1 B O16.86 Sb1.14 Si1.3 Ta0.3 -","- Al24.48 As0.4 B4 O67.44 Sb4.56 Si5.2 Ta1.2 -","- Al24.48 As0.4 B4 O67.44 Sb4.56 Si5.2 Ta1.2 -","","","","Zubkova, N. V.; Pushcharovskii, D. Y.; Kabalov, Y. K.; Kazantsev, S. S.; Voloshin, A. V.","Crystal structure of holtite II","Crystallography Reports","2006","51","","16","22","10.1134/S1063774506010044","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014661","5.2953","","14.3759","","5.5037","","90","","90","","90","","418.968","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Al0.37 Ca2 Fe1.63 O5 -","- Al1.48 Ca8 Fe6.52 O20 -","- Al1.48 Ca8 Fe6.52 O20 -","","","","Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.","The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.37 Note: P = 8.89 GPa","Physics and Chemistry of Minerals","2008","35","","493","504","10.1007/s00269-008-0244-4","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014702","7.1388","","4.9151","","8.4717","","90","","90","","90","","297.254","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Kozoite-(Sm)","- C H O4 Sm -","- C H O4 Sm -","- C4 H4 O16 Sm4 -","4","0.5","","Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.","Crystal chemistry of RE(CO3)OH","Zeitschrift fur Kristallographie","2007","222","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014729","16.176","","5.5342","","10.0007","","90","","90","","90","","895.275","","","","","","","","","","","","Merelani Hills, Tanzania","5","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca2 H O13 Si3 -","- Al3 Ca2 H O13 Si3 -","- Al12 Ca8 H4 O52 Si12 -","4","0.5","","Alvaro, M.; Angel, R. J.; Camara, F.","High-pressure behavior of zoisite Note: P = 1.144 GPa","American Mineralogist","2012","97","","1165","1176","10.2138/am.2012.4014","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014736","16.326","","8.773","","4.583","","90","","90","","90","","656.414","","","","","","","","","","","","Friedrich-Christian mine, Schapbach, Black Forest,","4","P n m a","-P 2ac 2n","62","","","Fassinaite","- C O6 Pb2 S2 -","- C4 O24 Pb8 S8 -","- C4 O24 Pb8 S8 -","","","","Bindi, L.; Nestola, F.; Kolitsch, U.; Guastoni, A.; Zorzi, F.","Fassinaite, Pb22+(S2O3)(CO3), the first mineral with coexisting thiosulphate and carbonate groups: description and crystal structure Note: Sample ID FAS-03 Baden-Wurttemberg, Germany","Mineralogical Magazine","2011","75","","2721","2732","10.1180/minmag.2011.075.6.2721","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014745","10.977","","7.414","","5.238","","90","","90","","90","","426.287","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Tantalaeschynite-(Tb)","- O6 Ta Tb Ti -","- O24 Ta4 Tb4 Ti4 -","- O24 Ta4 Tb4 Ti4 -","","","","Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.","Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide","Solid State Sciences","2010","12","","1263","1269","10.1016/j.solidstatesciences.2010.02.036","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014764","5.3956","","14.6756","","5.5703","","90","","90","","90","","441.077","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","- Ca8 Fe8 O20 -","","","","Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.","The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 2.249 GPa","Physics and Chemistry of Minerals","2008","35","","493","504","10.1007/s00269-008-0244-4","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014842","23.846","","4.0559","","19.066","","90","","90","","90","","1844.01","","","","","","","","","","","","Erzwiess, Hobe Tauern Window, Gasteinertal, Austria","5","P n m a","-P 2ac 2n","62","","","Cosalite","- Ag0.308 Bi4 Cu0.358 Pb3.643 S10 -","- Ag1.232 Bi16 Cu1.432 Pb14.572 S40 -","- Ag1.232 Bi16 Cu1.432 Pb14.572 S40 -","","","","Topa, D.; Makovicky, E.","The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 5","The Canadian Mineralogist","2010","48","","1081","1107","10.3749/canmin.48.5.1081","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014882","23.894","","4.0616","","19.143","","90","","90","","90","","1857.79","","","","","","","","","","","","Habachtal, Hobe Tauern Window, Pinzgau, Austria","4","P n m a","-P 2ac 2n","62","","","Cosalite","- Bi4 Cu0.26 Pb3.867 S10 -","- Bi16 Cu1.04 Pb15.468 S40 -","- Bi16 Cu1.04 Pb15.468 S40 -","","","","Topa, D.; Makovicky, E.","The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 2","The Canadian Mineralogist","2010","48","","1081","1107","10.3749/canmin.48.5.1081","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014892","6.86058","","13.17507","","6.89589","","90","","90","","90","","623.31","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Scottyite","- Ba Cu2 O7 Si2 -","- Ba4 Cu8 O28 Si8 -","- Ba4 Cu8 O28 Si8 -","","","","Yamada, T.; Hiroi, Z.; Takano, M.","Spin-1/2 quantum antiferromagnetic chains with tunable superexchange interactions found in BaCu2(Si1-xGex)2O7","Journal of Solid State Chemistry","2001","156","","101","109","10.1006/jssc.2000.8968","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014902","10.228","","3.1125","","4.7165","","90","","90","","90","","150.148","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","","- F H O Zn -","- F4 H4 O4 Zn4 -","- F4 H4 O4 Zn4 -","","","","Crichton, W. A.; Parise, J. B.; Muller, H.; Breger, J.; Marshall, W. G.; Welch, M. D.","Synthesis and structure of magnesium hydroxide fluoride, Mg(OH)F: a topological intermediate between brucite- and rutile-type structures Note: transformed from Serier et al (2007)","Mineralogical Magazine","2012","76","","25","36","10.1180/minmag.2012.076.1.25","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014929","9.609","","13.6833","","9.7559","","90","","90","","90","","1282.73","","","","","","","","","","","","Wagholi quarry, Poona district, India","4","P n m a","-P 2ac 2n","62","","","Cavansite","- Ca O14.249 Si4 V -","- Ca4 O56.996 Si16 V4 -","- Ca4 O56.996 Si16 V4 -","","","","Danisi, R. M.; Armbruster, T.; Lazic, B.","In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: T = 75 C","American Mineralogist","2012","97","","1874","1880","10.2138/am.2012.4228","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015028","9.077","","5.679","","7.279","","90","","90","","90","","375.22","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Barberiite","- B F4 H4 N -","- B4 F16 H16 N4 -","- B4 F16 H16 N4 -","","","","Caron, A. P.; Ragle, J. L.","Refinement of the structure of orthorhombic ammonium tetrafluoroborate, NH4BF4","Acta Crystallographica, Section B","1971","27","","1102","1107","10.1107/S0567740871003601","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015033","10.942","","7.5831","","5.4614","","90","","90","","90","","453.156","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Tantalaeschynite-(La)","- La O6 Ta Ti -","- La4 O24 Ta4 Ti4 -","- La4 O24 Ta4 Ti4 -","","","","Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.","Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide","Solid State Sciences","2010","12","","1263","1269","10.1016/j.solidstatesciences.2010.02.036","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015055","16.4529","","5.6432","","10.3631","","90","","90","","90","","962.183","","","","","","","","","","","","Synthetic","5","P n m a","-P 2ac 2n","62","","","","- Al3 H O13 Pb2 Si3 -","- Al3 H O13 Pb2 Si3 -","- Al12 H4 O52 Pb8 Si12 -","4","0.5","","Dorsam, G.; Liebscher, A.; Wunder, B.; Franz, G.; Gottschalk, M.","Synthesis of Pb-zoisite and Pb-lawsonite","Neues Jahrbuch fur Mineralogie, Abhandlungen","2011","188","","99","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9015061","4.6995","","11.779","","20.1671","","90","","90","","90","","1116.36","","","","","","","","","","","","the Larsemann Hills, Prydz Bay, Princess Elizabeth Land, East Antarctica","4","P n m a","-P 2ac 2n","62","","","Dumortierite","- Al6.79 B O18 Si3 -","- Al27.16 B4 O72 Si12 -","- Al27.16 B4 O72 Si12 -","","","","Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A.","The crystal chemistry of As- and Sb-bearing dumortierite Sample: D67","The Canadian Mineralogist","2012","50","","855","872","10.3749/canmin.50.4.855","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015070","7.04765","","13.407","","7.02755","","90","","90","","90","","664.018","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","","- Ba Cu2 Ge2 O7 -","- Ba4 Cu8 Ge8 O28 -","- Ba4 Cu8 Ge8 O28 -","","","","Yamada, T.; Hiroi, Z.; Takano, M.","Spin-1/2 quantum antiferromagnetic chains with tunable superexchange interactions found in BaCu2(Si1-xGex)2O7","Journal of Solid State Chemistry","2001","156","","101","109","10.1006/jssc.2000.8968","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015074","10.451","","6.12446","","4.80757","","90","","90","","90","","307.717","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Forsterite","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","- Mg4 Mn4 O16 Si4 -","","","","Yamazaki, S.; Toraya, H.","Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo","Journal of Applied Crystallography","1999","32","","51","59","10.1107/S0021889898010206","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015130","14.674","","11.093","","5.688","","90","","90","","90","","925.885","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Behounekite","- H8 O12 S2 U -","- O12 S2 U -","- O48 S8 U4 -","4","0.5","","Kierkegaard, P.","The crystal structure of U(SO4)2*4H2O","Acta Chemica Scandinavica","1956","10","","599","616","10.3891/acta.chem.scand.10-0599","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015192","10.451","","6.12446","","4.80757","","90","","90","","90","","307.717","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Tephroite","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","- Mg4 Mn4 O16 Si4 -","","","","Yamazaki, S.; Toraya, H.","Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1","Journal of Applied Crystallography","1999","32","","51","59","10.1107/S0021889898010206","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015222","10.9771","","7.5051","","5.3602","","90","","90","","90","","441.596","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Tantalaeschynite-(Nd)","- Nd O6 Ta Ti -","- Nd4 O24 Ta4 Ti4 -","- Nd4 O24 Ta4 Ti4 -","","","","Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.","Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide","Solid State Sciences","2010","12","","1263","1269","10.1016/j.solidstatesciences.2010.02.036","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015230","7.415","","5.89","","9.016","","90","","90","","90","","393.768","","","","","","","","","","","","Synthetic","5","P n m a","-P 2ac 2n","62","","","","- As Cd Cu H O5 -","- As4 Cd4 Cu4 H4 O20 -","- As4 Cd4 Cu4 H4 O20 -","","","","Effenberger, H.","CdCu(OH)(AsO4), the first Cd member of the adelite-descloizite structure type","Zeitschrift fur Kristallographie","2002","19","","85","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015246","9.39","","13.11","","9.39","","90","","90","","90","","1155.94","","","","","","","","","","","","Wagholi quarry, Poona district, India","4","P n m a","-P 2ac 2n","62","","","Cavansite","- Ca O12.18 Si4 V -","- Ca4 O48.72 Si16 V4 -","- Ca4 O48.72 Si16 V4 -","","","","Danisi, R. M.; Armbruster, T.; Lazic, B.","In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: T = 350 C","American Mineralogist","2012","97","","1874","1880","10.2138/am.2012.4228","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015267","7.6638","","6.867","","14.5554","","90","","90","","90","","766.012","","","","","","","","","","","","the Tolbachik volcano, Kamchatka Peninsula, Russia","4","P n m a","-P 2ac 2n","62","","","Cupromolybdite","- Cu3 Mo1.94 O9 S0.06 -","- Cu12 Mo7.76 O36 S0.24 -","- Cu12 Mo7.76 O36 S0.24 -","","","","Zelenski, M. E.; Zubkova, N. V.; Pekov, I. V.; Polekhovsky, Y. S.; Pushcharovsky, D. Y.","Cupromolybdite, Cu3O(MoO4)2, a new fumarolic mineral from the Tolbachik volcano, Kamchatka Peninsula, Russia","European Journal of Mineralogy","2012","24","","749","757","10.1127/0935-1221/2012/0024-2221","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015277","11.053","","7.64","","5.556","","90","","90","","90","","469.176","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","","- La0.3 Nb2 O6 Sr0.7 -","- La1.2 Nb8 O24 Sr2.8 -","- La1.2 Nb8 O24 Sr2.8 -","","","","Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M.","Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]","Materials Research Bulletin","1994","29","","743","749","10.1016/0025-5408(94)90199-6","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015281","16.0845","","5.477","","9.8785","","90","","90","","90","","870.245","","","","","","","","","","","","Merelani Hills, Tanzania","5","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca2 H O13 Si3 -","- Al3 Ca2 H O13 Si3 -","- Al12 Ca8 H4 O52 Si12 -","4","0.5","","Alvaro, M.; Angel, R. J.; Camara, F.","High-pressure behavior of zoisite Note: P = 5.145 GPa","American Mineralogist","2012","97","","1165","1176","10.2138/am.2012.4014","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015294","16.0796","","5.4721","","9.869","","90","","90","","90","","868.365","","","","","","","","","","","","Merelani Hills, Tanzania","5","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca2 H O13 Si3 -","- Al3 Ca2 H O13 Si3 -","- Al12 Ca8 H4 O52 Si12 -","4","0.5","","Alvaro, M.; Angel, R. J.; Camara, F.","High-pressure behavior of zoisite Note: P = 5.533 GPa","American Mineralogist","2012","97","","1165","1176","10.2138/am.2012.4014","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015299","10.9862","","7.7223","","5.5944","","90","","90.372","","90","","474.612","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","","- Nb2 O6 Sr -","- Nb8 O24 Sr4 -","- Nb8 O24 Sr4 -","","","","Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M.","Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]","Materials Research Bulletin","1994","29","","743","749","10.1016/0025-5408(94)90199-6","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015305","5.3769","","14.6032","","5.5712","","90","","90","","90","","437.45","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Al0.37 Ca2 Fe1.63 O5 -","- Al1.48 Ca8 Fe6.52 O20 -","- Al1.48 Ca8 Fe6.52 O20 -","","","","Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.","The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.37 Note: P = 2.015 GPa","Physics and Chemistry of Minerals","2008","35","","493","504","10.1007/s00269-008-0244-4","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015333","10.1299","","3.0723","","4.676","","90","","90","","90","","145.527","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","","- F H Mg O -","- F4 H4 Mg4 O4 -","- F4 H4 Mg4 O4 -","","","","Crichton, W. A.; Parise, J. B.; Muller, H.; Breger, J.; Marshall, W. G.; Welch, M. D.","Synthesis and structure of magnesium hydroxide fluoride, Mg(OH)F: a topological intermediate between brucite- and rutile-type structures","Mineralogical Magazine","2012","76","","25","36","10.1180/minmag.2012.076.1.25","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015438","23.87","","4.0647","","19.13","","90","","90","","90","","1856.08","","","","","","","","","","","","Felbertal scheelite deposit, Hobe Tauern Window, Pinzgau, Austria","5","P n m a","-P 2ac 2n","62","","","Cosalite","- Ag0.014 Bi4 Cu0.132 Pb3.904 S10 -","- Ag0.056 Bi16 Cu0.528 Pb15.616 S40 -","- Ag0.056 Bi16 Cu0.528 Pb15.616 S40 -","","","","Topa, D.; Makovicky, E.","The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 1","The Canadian Mineralogist","2010","48","","1081","1107","10.3749/canmin.48.5.1081","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015506","11.046","","7.653","","5.571","","90","","90","","90","","470.945","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","","- La0.3 Nb2 O6 Sr0.7 -","- La1.2 Nb8 O24 Sr2.8 -","- La1.2 Nb8 O24 Sr2.8 -","","","","Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M.","Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]","Materials Research Bulletin","1994","29","","743","749","10.1016/0025-5408(94)90199-6","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015649","7.2333","","4.964","","8.4908","","90","","90","","90","","304.872","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Kozoite-(Nd)","- C H Nd O4 -","- C H Nd O4 -","- C4 H4 Nd4 O16 -","4","0.5","","Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.","Crystal chemistry of RE(CO3)OH","Zeitschrift fur Kristallographie","2007","222","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015654","16.0271","","5.4473","","9.8119","","90","","90","","90","","856.622","","","","","","","","","","","","Merelani Hills, Tanzania","5","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca2 H O13 Si3 -","- Al3 Ca2 H O13 Si3 -","- Al12 Ca8 H4 O52 Si12 -","4","0.5","","Alvaro, M.; Angel, R. J.; Camara, F.","High-pressure behavior of zoisite Note: P = 7.766 GPa","American Mineralogist","2012","97","","1165","1176","10.2138/am.2012.4014","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015658","10.20141","","5.98348","","4.75534","","90","","90","","90","","290.266","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Forsterite","- Mg2 O4 Si -","- Mg8 O16 Si4 -","- Mg8 O16 Si4 -","","","","Yamazaki, S.; Toraya, H.","Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1","Journal of Applied Crystallography","1999","32","","51","59","10.1107/S0021889898010206","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015659","16.0539","","5.4609","","9.8437","","90","","90","","90","","862.985","","","","","","","","","","","","Merelani Hills, Tanzania","5","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca2 H O13 Si3 -","- Al3 Ca2 H O13 Si3 -","- Al12 Ca8 H4 O52 Si12 -","4","0.5","","Alvaro, M.; Angel, R. J.; Camara, F.","High-pressure behavior of zoisite Note: P = 6.511 GPa","American Mineralogist","2012","97","","1165","1176","10.2138/am.2012.4014","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015720","5.3522","","14.5621","","5.5354","","90","","90","","90","","431.425","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","- Ca8 Fe8 O20 -","","","","Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.","The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 5.564 GPa","Physics and Chemistry of Minerals","2008","35","","493","504","10.1007/s00269-008-0244-4","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015735","16.32","","8.7616","","4.5809","","90","","90","","90","","655.02","","","","","","","","","","","","Trentini mine, Mount Naro, Vicenza Province, Veneto, Italy","4","P n m a","-P 2ac 2n","62","","","Fassinaite","- C O6 Pb2 S2 -","- C4 O24 Pb8 S8 -","- C4 O24 Pb8 S8 -","","","","Bindi, L.; Nestola, F.; Kolitsch, U.; Guastoni, A.; Zorzi, F.","Fassinaite, Pb22+(S2O3)(CO3), the first mineral with coexisting thiosulphate and carbonate groups: description and crystal structure Note: Sample ID FAS-01","Mineralogical Magazine","2011","75","","2721","2732","10.1180/minmag.2011.075.6.2721","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015764","9.4746","","13.262","","9.605","","90","","90","","90","","1206.89","","","","","","","","","","","","Wagholi quarry, Poona district, India","4","P n m a","-P 2ac 2n","62","","","Cavansite","- Ca O13.014 Si4 V -","- Ca4 O52.056 Si16 V4 -","- Ca4 O52.056 Si16 V4 -","","","","Danisi, R. M.; Armbruster, T.; Lazic, B.","In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: T = 175 C","American Mineralogist","2012","97","","1874","1880","10.2138/am.2012.4228","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015799","23.816","","4.0408","","19.057","","90","","90","","90","","1833.96","","","","","","","","","","","","Ocna de Fier, Romania","4","P n m a","-P 2ac 2n","62","","","Cosalite","- Bi4 Cu0.73 Pb3.695 S10 -","- Bi16 Cu2.92 Pb14.78 S40 -","- Bi16 Cu2.92 Pb14.78 S40 -","","","","Topa, D.; Makovicky, E.","The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 4","The Canadian Mineralogist","2010","48","","1081","1107","10.3749/canmin.48.5.1081","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015808","9.6329","","13.6606","","9.7949","","90","","90","","90","","1288.92","","","","","","","","","","","","Wagholi quarry, Poona district, India","5","P n m a","-P 2ac 2n","62","","","Cavansite","- Ca H8 O15 Si4 V -","- Ca4 H32 O60 Si16 V4 -","- Ca4 H32 O60 Si16 V4 -","","","","Danisi, R. M.; Armbruster, T.; Lazic, B.","In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: room temperature","American Mineralogist","2012","97","","1874","1880","10.2138/am.2012.4228","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015811","4.6971","","11.8149","","20.2267","","90","","90","","90","","1122.5","","","","","","","","","","","","Hartmannsdorf quarry, 12 km northwest of Chemnitz in Saxony, Germany","6","P n m a","-P 2ac 2n","62","","","Dumortierite","- Al6.81 As0.093 B O17.884 Sb0.023 Si2.884 -","- Al27.24 As0.3724 B4 O71.5352 Sb0.0932 Si11.5352 -","- Al27.24 As0.3724 B4 O71.5352 Sb0.0932 Si11.5352 -","","","","Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A.","The crystal chemistry of As- and Sb-bearing dumortierite Sample: D21","The Canadian Mineralogist","2012","50","","855","872","10.3749/canmin.50.4.855","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015812","11.042","","7.644","","5.563","","90","","90","","90","","469.545","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","","- La0.2 Nb2 O6 Sr0.8 -","- La0.8 Nb8 O24 Sr3.2 -","- La0.8 Nb8 O24 Sr3.2 -","","","","Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M.","Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]","Materials Research Bulletin","1994","29","","743","749","10.1016/0025-5408(94)90199-6","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015849","10.60016","","6.25753","","4.90338","","90","","90","","90","","325.245","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Tephroite","- Mn2 O4 Si -","- Mn8 O16 Si4 -","- Mn8 O16 Si4 -","","","","Yamazaki, S.; Toraya, H.","Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo","Journal of Applied Crystallography","1999","32","","51","59","10.1107/S0021889898010206","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015862","5.4042","","14.6835","","5.5947","","90","","90","","90","","443.954","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Al0.37 Ca2 Fe1.63 O5 -","- Al1.48 Ca8 Fe6.52 O20 -","- Al1.48 Ca8 Fe6.52 O20 -","","","","Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.","The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.37 Note: P = 0.0001 GPa","Physics and Chemistry of Minerals","2008","35","","493","504","10.1007/s00269-008-0244-4","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015897","10.96305","","7.58996","","5.46833","","90","","90","","90","","455.015","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","Compound 2","","Aeschynite-(La)","- La0.924 Nb1.228 O6 Ti0.772 -","- La3.696 Nb4.912 O24 Ti3.088 -","- La3.696 Nb4.912 O24 Ti3.088 -","","","","Golobic, A.; Skapin, S. D.; Suvorov, D.; Meden, A.","Solving Structural Problems of Ceramic Materials","Croatica Chemica Acta","2004","77","3","435","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015921","23.879","","4.0453","","19.017","","90","","90","","90","","1837","","","","","","","","","","","","Schareck, Hobe Tauern Window, Schareck-Siglitz, Gasteinertal, Austria","5","P n m a","-P 2ac 2n","62","","","Cosalite","- Ag0.51 Bi4 Cu0.463 Pb3.446 S10 -","- Ag2.04 Bi16 Cu1.852 Pb13.784 S40 -","- Ag2.04 Bi16 Cu1.852 Pb13.784 S40 -","","","","Topa, D.; Makovicky, E.","The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 6","The Canadian Mineralogist","2010","48","","1081","1107","10.3749/canmin.48.5.1081","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015926","11.02","","7.64","","5.61","","90","","90","","90","","472.322","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Tantalaeschynite-(Eu)","- Eu O6 Ta2 -","- Eu4 O24 Ta8 -","- Eu4 O24 Ta8 -","","","","Jacobsen, H.; Lissner, F.; Manek, E.; Meyer, G.","Crystal structures of dieuropium(II) ditantalum heptoxide, Eu2Ta2O7 and europium(II) ditantalum hexoxide, EuTa2O6","Zeitschrift fur Kristallographie","1996","211","","547","548","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015955","5.3549","","14.541","","5.5524","","90","","90","","90","","432.341","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Al0.37 Ca2 Fe1.63 O5 -","- Al1.48 Ca8 Fe6.52 O20 -","- Al1.48 Ca8 Fe6.52 O20 -","","","","Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.","The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.37 Note: P = 3.729 GPa","Physics and Chemistry of Minerals","2008","35","","493","504","10.1007/s00269-008-0244-4","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015959","16.1353","","5.5062","","9.9432","","90","","90","","90","","883.396","","","","","","","","","","","","Merelani Hills, Tanzania","5","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca2 H O13 Si3 -","- Al3 Ca2 H O13 Si3 -","- Al12 Ca8 H4 O52 Si12 -","4","0.5","","Alvaro, M.; Angel, R. J.; Camara, F.","High-pressure behavior of zoisite Note: P = 2.945 GPa","American Mineralogist","2012","97","","1165","1176","10.2138/am.2012.4014","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016006","10.9694","","7.5288","","5.3829","","90","","90","","90","","444.554","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Tantalaeschynite-(Ce)","- Ce O6 Ta Ti -","- Ce4 O24 Ta4 Ti4 -","- Ce4 O24 Ta4 Ti4 -","","","","Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.","Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide","Solid State Sciences","2010","12","","1263","1269","10.1016/j.solidstatesciences.2010.02.036","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016013","5.4271","","14.7619","","5.5978","","90","","90","","90","","448.464","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","- Ca8 Fe8 O20 -","","","","Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.","The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 0.0001 GPa","Physics and Chemistry of Minerals","2008","35","","493","504","10.1007/s00269-008-0244-4","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016116","10.52411","","6.17903","","4.83927","","90","","90","","90","","314.692","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Tephroite","- Mg0.6 Mn1.4 O4 Si -","- Mg2.4 Mn5.6 O16 Si4 -","- Mg2.4 Mn5.6 O16 Si4 -","","","","Yamazaki, S.; Toraya, H.","Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo","Journal of Applied Crystallography","1999","32","","51","59","10.1107/S0021889898010206","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016171","16.343","","8.76","","4.592","","90","","90","","90","","657.412","","","","","","","","","","","","Erasmus adit, Schwarzleo District, Leogang, Salzburg, Austria","4","P n m a","-P 2ac 2n","62","","","Fassinaite","- C O6 Pb2 S2 -","- C4 O24 Pb8 S8 -","- C4 O24 Pb8 S8 -","","","","Bindi, L.; Nestola, F.; Kolitsch, U.; Guastoni, A.; Zorzi, F.","Fassinaite, Pb22+(S2O3)(CO3), the first mineral with coexisting thiosulphate and carbonate groups: description and crystal structure Note: Sample ID FAS-02","Mineralogical Magazine","2011","75","","2721","2732","10.1180/minmag.2011.075.6.2721","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016180","16.2004","","5.5529","","10.0423","","90","","90","","90","","903.397","","","","","","","","","","","","Merelani Hills, Tanzania","5","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca2 H O13 Si3 -","- Al3 Ca2 H O13 Si3 -","- Al12 Ca8 H4 O52 Si12 -","4","0.5","","Alvaro, M.; Angel, R. J.; Camara, F.","High-pressure behavior of zoisite Note: P = .0001 GPa","American Mineralogist","2012","97","","1165","1176","10.2138/am.2012.4014","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016186","9.107","","8.551","","4.804","","90","","90","","90","","374.106","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Krieselite","- Al2 Ge H2 O6 -","- Al2 Ge H2 O6 -","- Al8 Ge4 H8 O24 -","4","0.5","","Marler, B.; Wunder, B.","Crystal structure of dialuminium dihydroxogermanate, Al~2~GeO~4~(OH)~2~","Zeitschrift für Kristallographie - New Crystal Structures","1998","213","1","3","3","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016235","23.652","","4.0539","","19.095","","90","","90","","90","","1830.88","","","","","","","","","","","","Altenberg, Hobe Tauern Window, Lungau, Austria","6","P n m a","-P 2ac 2n","62","","","Cosalite","- Ag0.331 Bi3.875 Cu0.203 Pb3.32 S10 Sb0.447 -","- Ag1.324 Bi15.5 Cu0.812 Pb13.28 S40 Sb1.788 -","- Ag1.324 Bi15.5 Cu0.812 Pb13.28 S40 Sb1.788 -","","","","Topa, D.; Makovicky, E.","The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 3","The Canadian Mineralogist","2010","48","","1081","1107","10.3749/canmin.48.5.1081","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016247","5.3035","","14.4389","","5.4979","","90","","90","","90","","421.011","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","- Ca8 Fe8 O20 -","","","","Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.","The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 9.73 GPa","Physics and Chemistry of Minerals","2008","35","","493","504","10.1007/s00269-008-0244-4","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016435","10.52411","","6.17903","","4.83927","","90","","90","","90","","314.692","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Tephroite","- Mg0.6 Mn1.4 O4 Si -","- Mg2.4 Mn5.6 O16 Si4 -","- Mg2.4 Mn5.6 O16 Si4 -","","","","Yamazaki, S.; Toraya, H.","Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1","Journal of Applied Crystallography","1999","32","","51","59","10.1107/S0021889898010206","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016436","10.084","","21.297","","17.491","","90","","90","","90","","3756.35","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cs6 Mo7 O38 P7 -","- Cs24 Mo28 O152 P28 -","- Cs24 Mo28 O152 P28 -","","","","Guesdon, A.; Borel, M.; Leclaire, A.; Grandin, A.; Raveau, B.","A mixed-valent molybdenum monophosphate with a ""butterfly""-shaped tunnel structure Cs6Mo7O9(PO4)7*H2O _cod_database_code 1001603","Journal of Solid State Chemistry","1994","111","","315","321","10.1006/jssc.1994.1233","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016470","5.3246","","14.4558","","5.5273","","90","","90","","90","","425.444","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Al0.37 Ca2 Fe1.63 O5 -","- Al1.48 Ca8 Fe6.52 O20 -","- Al1.48 Ca8 Fe6.52 O20 -","","","","Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.","The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.37 Note: P = 6.267 GPa","Physics and Chemistry of Minerals","2008","35","","493","504","10.1007/s00269-008-0244-4","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016495","11.1098","","6.3894","","4.8281","","90","","90","","90","","342.722","","","","","","","","","","","","Crestmore, California, USA","5","P n m a","-P 2ac 2n","62","","","Monticellite","- Ca Fe0.12 Mg0.88 O4 Si -","- Ca4 Fe0.48 Mg3.52 O16 Si4 -","- Ca4 Fe0.48 Mg3.52 O16 Si4 -","","","","Pilati, T.; Demartin, F.; Gramaccioli, C. M.","Thermal parameters for minerals of the olivine group: their implication on vibrational spectra, thermodynamic functions and transferable force fields","Acta Crystallographica, Section B","1995","51","5","721","733","10.1107/S0108768194014382","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016584","5.09","","6.748","","4.523","","90","","90","","90","","155.353","","","","","","","","","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Cohenite","- C Fe3 -","- C4 Fe12 -","- C4 Fe12 -","","","","Herbstein, F. H.; Smuts, J.","Comparison of X-ray and neutron-diffraction refinements of the structure of cementite Fe3C","Acta Crystallographica","1964","17","","1331","1332","10.1107/S0365110X64003346","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016628","5.3744","","14.6175","","5.5526","","90","","90","","90","","436.214","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","- Ca8 Fe8 O20 -","","","","Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.","The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 3.863 GPa","Physics and Chemistry of Minerals","2008","35","","493","504","10.1007/s00269-008-0244-4","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016657","11.042","","7.665","","5.584","","90","","90","","90","","472.613","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","","- La0.2 Nb2 O6 Sr0.8 -","- La0.8 Nb8 O24 Sr3.2 -","- La0.8 Nb8 O24 Sr3.2 -","","","","Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M.","Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]","Materials Research Bulletin","1994","29","","743","749","10.1016/0025-5408(94)90199-6","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016677","5.0598","","6.7462","","4.5074","","90","","90","","90","","153.857","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Cohenite","- C Fe2.7 Mn0.3 -","- C4 Fe10.8 Mn1.2 -","- C4 Fe10.8 Mn1.2 -","","","","Fasiska, E. J.; Jeffery, G. A.","On the cementite structure","Acta Crystallographica","1965","19","","463","471","10.1107/S0365110X65003602","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016715","11.021","","7.675","","5.584","","90","","90.19","","90","","472.327","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","","- La0.1 Nb2 O6 Sr0.9 -","- La0.4 Nb8 O24 Sr3.6 -","- La0.4 Nb8 O24 Sr3.6 -","","","","Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M.","Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]","Materials Research Bulletin","1994","29","","743","749","10.1016/0025-5408(94)90199-6","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016789","18.277","","17.65","","5.2736","","90","","90","","90","","1701.21","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.97 F0.03 Fe1.23 H3.94 Li1.98 Mg1.8 Mn0.02 Na0.03 O23.97 Si7.99 Zn0.01 -","- Al1.97 F0.03 Fe1.23 H3.94 Li1.98 Mg1.8 Mn0.02 Na0.03 O23.97 Si7.99 Zn0.01 -","- Al7.88 F0.12 Fe4.92 H15.76 Li7.92 Mg7.2 Mn0.08 Na0.12 O95.88 Si31.96 Zn0.04 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: HS 119915 Siberia","American Mineralogist","2005","90","","1167","1176","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016790","18.277","","17.646","","5.2792","","90","","90","","90","","1702.63","","","","","","","","","","","","","10","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.98 F0.02 Fe1.2 H3.96 Li1.71 Mg1.89 Mn0.01 Na0.03 O24 Si7.98 -","- Al1.98 F0.02 Fe1.2 H3.96 Li1.71 Mg1.89 Mn0.01 Na0.03 O23.98 Si7.98 -","- Al7.92 F0.08 Fe4.8 H15.84 Li6.84 Mg7.56 Mn0.04 Na0.12 O95.92 Si31.92 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Siberia","American Mineralogist","2005","90","","1167","1176","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:00",""
"9016791","18.2754","","17.6569","","5.2738","","90","","90","","90","","1701.79","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.76 F0.07 Fe1.2 H3.86 Li1.97 Mg2.01 Mn0.04 Na0.02 O23.93 Si8 Zn0.01 -","- Al1.76 F0.07 Fe1.2 H3.86 Li1.97 Mg2.01 Mn0.04 Na0.02 O23.93 Si8 Zn0.01 -","- Al7.04 F0.28 Fe4.8 H15.44 Li7.88 Mg8.04 Mn0.16 Na0.08 O95.72 Si32 Zn0.04 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Rwanda","American Mineralogist","2005","90","","1167","1176","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016792","18.3345","","17.6955","","5.2764","","90","","90","","90","","1711.86","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.34 F0.09 Fe1.26 H3.82 Li1.98 Mg2.35 Mn0.04 Na0.05 O23.91 Si8 Zn0.01 -","- Al1.34 F0.09 Fe1.26 H3.82 Li1.98 Mg2.35 Mn0.04 Na0.05 O23.91 Si8 Zn0.01 -","- Al5.36 F0.36 Fe5.04 H15.28 Li7.92 Mg9.4 Mn0.16 Na0.2 O95.64 Si32 Zn0.04 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Zaire","American Mineralogist","2005","90","","1167","1176","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016793","18.335","","17.693","","5.2743","","90","","90","","90","","1710.99","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.3 F0.13 Fe1.3 H3.74 Li1.93 Mg2.32 Mn0.06 Na0.1 O23.87 Si8 Zn0.01 -","- Al1.3 F0.13 Fe1.3 H3.74 Li1.93 Mg2.32 Mn0.06 Na0.1 O23.87 Si8 Zn0.01 -","- Al5.2 F0.52 Fe5.2 H14.96 Li7.72 Mg9.28 Mn0.24 Na0.4 O95.48 Si32 Zn0.04 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Uto, Sweden","American Mineralogist","2005","90","","1167","1176","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016794","18.336","","17.693","","5.2755","","90","","90","","90","","1711.47","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.33 F0.1 Fe1.26 H3.8 Li1.93 Mg2.42 Mn0.04 Na0.05 O23.9 Si8 Zn0.01 -","- Al1.33 F0.1 Fe1.26 H3.8 Li1.93 Mg2.42 Mn0.04 Na0.05 O23.9 Si8 Zn0.01 -","- Al5.32 F0.4 Fe5.04 H15.2 Li7.72 Mg9.68 Mn0.16 Na0.2 O95.6 Si32 Zn0.04 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Norway","American Mineralogist","2005","90","","1167","1176","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016795","18.2872","","17.6797","","5.2784","","90","","90","","90","","1706.57","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Ferro-holmquistite","- Al1.89 F0.03 Fe1.71 H3.94 K0.01 Li1.88 Mg1.47 Mn0.01 Na0.04 O23.97 Si8 -","- Al1.89 F0.03 Fe1.71 H3.94 K0.01 Li1.88 Mg1.47 Mn0.01 Na0.04 O23.97 Si8 -","- Al7.56 F0.12 Fe6.84 H15.76 K0.04 Li7.52 Mg5.88 Mn0.04 Na0.16 O95.88 Si32 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Greenbushes, W Australia","American Mineralogist","2005","90","","1167","1176","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016899","4.6882","","11.7924","","20.1856","","90","","90","","90","","1115.96","","","","","","","","","","","","Madagascar","4","P n m a","-P 2ac 2n","62","","","Dumortierite","- Al6.692 B O18 Si2.943 -","- Al26.768 B4 O72 Si11.772 -","- Al26.768 B4 O72 Si11.772 -","","","","Evans, R. J.; Fyfe, C. A.; Groat, L. A.; Lam, A. E.","MAS NMR measurements and ab initio calculations of the 29Si chemical shifts in dumortierite and holtite","American Mineralogist","2012","97","","329","340","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:19",""
"9017058","9.2183","","3.0175","","10.6934","","90","","90","","90","","297.45","","","","","","","","","","","","Hatrurim complex, West Bank, Palestinian Autonomy, Israel","7","P n m a","-P 2ac 2n","62","","","Harmunite","- Al0.015 Ca Cr0.011 Fe1.957 Mg0.003 O4 Ti0.004 -","- Al0.06 Ca4 Cr0.044 Fe7.828 Mg0.012 O16 Ti0.016 -","- Al0.06 Ca4 Cr0.044 Fe7.828 Mg0.012 O16 Ti0.016 -","","","","Galuskina, I. O.; Vapnik, Y.; Lazic, B.; Armbruster, T.; Murashko, M.; Galuskin, E. V.","Harmunite CaFe2O4: A new mineral from the Jabel Harmun, West Bank, Palestinian Autonomy, Israel","American Mineralogist","2014","99","","965","975","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:17",""
"9017076","9.0633","","2.95793","","10.6391","","90","","90","","90","","285.219","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","","- Cr2 Fe O4 -","- Cr8 Fe4 O16 -","- Cr8 Fe4 O16 -","","","","Ishii, T.; Kojitani, H.; Tsukamoto, S.; Fujino, K.; Mori, D.; Inaguma, Y.; Tsujino, N.; Yoshino, T.; Yamazaki, D.; Higo, Y.; Funakoshi, K.; Akaogi, M.","High-pressure phase transitions in FeCr2O4 and structure analysis of new post- spinel FeCr2O4 and Fe2Cr2O5 phases with meteoritical and petrological implications","American Mineralogist","2014","99","","1788","1797","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:19",""
"9017286","10.637","","22.797","","5.4136","","90","","90","","90","","1312.75","","","","","","","","","","","","Blue Bell mine, California, USA","3","P n m a","-P 2ac 2n","62","","","Pingguite","- Bi6 O15 Te2 -","- Bi24 O60 Te8 -","- Bi24 O60 Te8 -","","","","Nenert, G.; Missen, O. P.; Lian, H.; Weil, M.; Blake, G. R.; Kampf, A. R.; Mills, S. J.","Crystal structure and thermal behavior of Bi6Te2O15: investigation of synthetic and natural pingguite","Physics and Chemistry of Minerals","2020","47","","","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:52",""
"9017287","10.61155","","22.74458","","5.399038","","90","","90","","90","","1303.09","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Pingguite","- Bi5 O16 Te -","- Bi24 O60 Te8 -","- Bi24 O60 Te8 -","","","","Nenert, G.; Missen, O. P.; Lian, H.; Weil, M.; Blake, G. R.; Kampf, A. R.; Mills, S. J.","Crystal structure and thermal behavior of Bi6Te2O15: investigation of synthetic and natural pingguite","Physics and Chemistry of Minerals","2020","47","","","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","287967","2023-12-04","09:19:23",""
"9017377","6.3537","","6.8545","","4.3953","","90","","90","","90","","191.422","","","","","","","","","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Waimirite-(Y)","- F3 Y -","- F12 Y4 -","- F12 Y4 -","","","","Cheetham, A. K.; Norman, N.","The structures of yttrium and bismuth trifluorides by neutron diffraction","Acta Chemica Scandinavica","1974","","","55","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:58",""
"9017395","5.62","","3.58","","6","","90","","90","","90","","120.718","","","","","","","","","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Cherepanovite","- As Rh -","- As4 Rh4 -","- As4 Rh4 -","","","","Heyding, R. D.; Calvert, L. D.","Arsenides of the transition metals IV. A note on the platinum metal arsenides","Canadian Journal of Chemistry","1961","39","","955","957","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:59",""
"9017465","6.86317","","13.1773","","6.86317","","90","","90","","90","","620.692","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Scottyite","- Ba Cu2 O7 Si2 -","- Ba4 Cu8 O28 Si8 -","- Ba4 Cu8 O28 Si8 -","","","","Chen, Y.; Zhang, Y.; Feng, S.","Hydrothermal synthesis and properties of pigments Chinese purple BaCuSi2O6 and dark blue BaCu2Si2O7","Dyes and Pigments","2014","105","","167","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:00",""
"9017477","8.253","","6.4122","","13.789","","90","","90","","90","","729.712","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Kozyrevskite","- As2 Cu4 O9 -","- As8 Cu16 O36 -","- As8 Cu16 O36 -","","","","Adams, R. D.; Layland, R.; Payen, C.","Cu4(AsO4)2(O): A new copper arsenate with unusual low temperature magnetic properties","Inorganic Chemistry","1995","34","","5397","5398","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:01",""
"9017480","8.712","","3.845","","14.15","","90","","90","","90","","473.992","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","","- Br3 Fe K -","- Br12 Fe4 K4 -","- Br12 Fe4 K4 -","","","","Amit, A.; Horowitz, A.; Makovsky, J.","Preparation and crystal structure of KFeCl3 and KFeBr3","Israel Journal of Chemistry","1974","12","","827","830","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:01",""
"9017538","8.2368","","5.5228","","17.016","","90","","90","","90","","774.061","","","","","","","","","","","","Synthetic","5","P n m a","-P 2ac 2n","62","","","","- Al2 As2 K Na O9 -","- Al8 As8 K4 Na4 O36 -","- Al8 As8 K4 Na4 O36 -","","","","Ben Yahia, H.; Nilges, T.; Rodewald, U. C.; Pottgen, R.","New arsenates (V) NaKAl2O(AsO4)2 and Na2KAl3(AsO4)4","Materials Research Bulletin","2010","45","","2017","2023","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:01:16",""
"9017543","4.6818","","11.867","","20.302","","90","","90","","90","","1127.96","","","","","","","","","","","","Voroni Tundry, Kola Peninsula, Murmanskaja Oblast, Russia","7","P n m a","-P 2ac 2n","62","","","Holtite","- Al6.32 As0.152 B O17.61 Sb0.238 Si2.61 Ta0.32 -","- Al25.28 As0.608 B4 O70.44 Sb0.952 Si10.44 Ta1.28 -","- Al25.28 As0.608 B4 O70.44 Sb0.952 Si10.44 Ta1.28 -","","","","Groat, L. A.; Grew, E. S.; Evans, R. J.; Pieczka, A.; Ercit, T. S.","The crystal chemistry of holtite Sample: H1","Mineralogical Magazine","2009","73","","1033","1050","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:02:04",""
"9017544","4.6981","","11.926","","20.413","","90","","90","","90","","1143.73","","","","","","","","","","","","Greenbushes tinfield, Bridgetown-Greenbushes Shire, Australia","7","P n m a","-P 2ac 2n","62","","","Holtite","- Al6.39 As0.138 B O17.65 Sb0.21 Si2.65 Ta0.23 -","- Al25.56 As0.552 B4 O70.6 Sb0.84 Si10.6 Ta0.92 -","- Al25.56 As0.552 B4 O70.6 Sb0.84 Si10.6 Ta0.92 -","","","","Groat, L. A.; Grew, E. S.; Evans, R. J.; Pieczka, A.; Ercit, T. S.","The crystal chemistry of holtite Sample: H2","Mineralogical Magazine","2009","73","","1033","1050","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:02:21",""
"9017545","4.69","","11.897","","20.385","","90","","90","","90","","1137.42","","","","","","","","","","","","Greenbushes tinfield, Bridgetown-Greenbushes Shire, Australia","7","P n m a","-P 2ac 2n","62","","","Holtite","- Al6.374 As0.052 B O17.156 Sb0.792 Si2.156 Ta0.26 -","- Al25.496 As0.208 B4 O68.624 Sb3.168 Si8.624 Ta1.04 -","- Al25.496 As0.208 B4 O68.624 Sb3.168 Si8.624 Ta1.04 -","","","","Groat, L. A.; Grew, E. S.; Evans, R. J.; Pieczka, A.; Ercit, T. S.","The crystal chemistry of holtite Sample: H3","Mineralogical Magazine","2009","73","","1033","1050","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:02:33",""
"9017546","4.7264","","11.981","","20.566","","90","","90","","90","","1164.59","","","","","","","","","","","","Mt. Szklana Mine, Szklary, Zabkowice, Lower Silesia, Poland","7","P n m a","-P 2ac 2n","62","","","Holtite","- Al6.54 As0.22 B O17.186 Sb0.62 Si2.186 Ta0.11 -","- Al26.16 As0.88 B4 O68.744 Sb2.48 Si8.744 Ta0.44 -","- Al26.16 As0.88 B4 O68.744 Sb2.48 Si8.744 Ta0.44 -","","","","Groat, L. A.; Grew, E. S.; Evans, R. J.; Pieczka, A.; Ercit, T. S.","The crystal chemistry of holtite Sample: H4","Mineralogical Magazine","2009","73","","1033","1050","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:02:43",""
"9017596","27.714","","2.9881","","11.3564","","90","","90","","90","","940.449","","","","","","","","","","","","Orapa area, Botswana","6","P n m a","-P 2ac 2n","62","","","Kudryavtsevaite","- Ca0.138 Fe1.68 Mg0.764 Na2.862 O12 Ti3.556 -","- Ca0.552 Fe6.72 Mg3.056 Na11.448 O48 Ti14.224 -","- Ca0.552 Fe6.72 Mg3.056 Na11.448 O48 Ti14.224 -","","","","Anashkin, S.; Bovkun, A.; Bindi, L.; Garanin, V.; Litvin, Y.","Kudryavtsevaite, Na3MgFe3+Ti4O12, a new kimberlitic mineral","Mineralogical Magazine","2013","77","","327","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:10:18",""
"9017629","7.8244","","4.2107","","10.4724","","90","","90","","90","","345.026","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","","- H I O Pb -","- H4 I4 O4 Pb4 -","- H4 I4 O4 Pb4 -","","","","Siidra, O. I.; Zenko, D. Y.; Suknotova, A. N.; Krivovichev, S. V.","Crystal structure of a novel synthetic compound, Pb2O(OH)I, and structure refinement of iodolaurionite, Pb(OH)I: hydroxo- and oxocentred units in Pb minerals and synthetic compounds","Mineralogical Magazine","2013","77","","3239","3248","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:19:46",""
"9017639","15.351","","20.421","","18.27","","90","","90","","90","","5727.33","","","","","","","","","","","","Polar Bear peninsula, Southern Lake Cowan, Western Australia, Australia","7","P n m a","-P 2ac 2n","62","","","Putnisite","- C8 H66 Ca4 Cr8 O69 S Sr -","- C8 H66 Ca4 Cr8 O69 S Sr -","- C32 H264 Ca16 Cr32 O276 S4 Sr4 -","4","0.5","","Elliott, P.; Giester, G.; Rowe, R.; Pring, A.","Putnisite, SrCa4Cr3+8(CO3)8SO4(OH)16*25H2O, a new mineral from Western Australia: description and crystal structure","Mineralogical Magazine","2014","78","","131","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:12",""
"9017681","8.2581","","6.4026","","13.8047","","90","","90","","90","","729.9","","","","","","","","","","","","Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia","3","P n m a","-P 2ac 2n","62","","","Kozyrevskite","- As2 Cu4 O9 -","- As8 Cu16 O36 -","- As8 Cu16 O36 -","","","","Pekov, I. V.; Zubkova, N. V.; Yapaskurt, V. O.; Belakovskiy, D. I.; Vigasina, M. F.; Sidorov, E. G.; Pushcharovsky, D. Y.","New arsenate minerals from the Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia. II. Ericlaxmanite and kozyrevskite, two natural modifications of Cu4O(AsO4)2","Mineralogical Magazine","2014","78","","1553","1569","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:33",""
"9017705","6.3827","","6.86727","","4.39168","","90","","90","","90","","192.495","","","","","","","","","","","","Jabal Tawlah, Saudi Arabia","10","P n m a","-P 2ac 2n","62","","","Waimirite-(Y)","- Dy0.08 Er0.05 F2.92 Gd0.03 Ho0.02 O0.08 Tb0.01 Tm0.01 Y0.79 Yb0.01 -","- Dy0.32 Er0.2 F11.68 Gd0.12 Ho0.08 O0.32 Tb0.04 Tm0.04 Y3.16 Yb0.04 -","- Dy0.32 Er0.2 F11.68 Gd0.12 Ho0.08 O0.32 Tb0.04 Tm0.04 Y3.16 Yb0.04 -","","","","Atencio, D.; Bastos Neto, A. C.; Pereira, V. P.; Ferron, J. T. M. M.; Hoshino, M.; Moriyama, T.; Watanabe, Y.; Miyawaki, R.; Coutinho, J. M. V.; Andrade, M. B.; Domanik, K.; Chukanov, N. V.; Momma, K.; Hirano, H.; Tsunematsu, M.","Waimirite-(Y), orthorhombic YF3, a new mineral from the Pitinga mine, Presidente Figueiredo, Amazonas, Brazil and from Jabal Tawlah, Saudi Arabia: description and crystal structure","Mineralogical Magazine","2015","79","","767","780","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:02",""
"9017720","15.3994","","17.6598","","7.80827","","90","","90","","90","","2123.46","","","","373.15","","","","","","","","Cap Garonne, France","4","P n m a","-P 2ac 2n","62","","","Bulachite","- Al2 As H7 O9 -","- Al2 As H7 O9 -","- Al24 As12 H84 O108 -","12","1.5","","Grey, I. E.; Yoruk, E.; Kodjikian, S.; Klein, H.; Bougerol, C.; Brand, H. E. A.; Bordet, P.; Mumme, W. G.; Favreau, G.; Mills, S. J.","Bulachite, [Al6(AsO4)3(OH)9(H2O)4]*2H2O from Cap Garonne, France: Crystal structure and formation from a higher hydrate Note: T = 100 C","Mineralogical Magazine","2020","84","","608","615","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:09",""
"9017737","19.855","","17.6933","","7.7799","","90","","90","","90","","2733.08","","","","","","","","","","","","Cap Garonne, France","4","P n m a","-P 2ac 2n","62","","","Galeaclolusite","- Al6 As3 H33 O33 -","- Al6 As3 H33 O33 -","- Al24 As12 H132 O132 -","4","0.5","","Grey, I. E.; Favreau, G.; Mills, S. J.; Mumme, W. G.; Bougerol, C.; Brand, H. E. A.; Kampf, A. R.; MacRae, C. M.; Shanks, F.","Galeaclolusite, [Al6(AsO4)3(OH)9(H2O)4]*8H2O, a new bulachite-related mineral from Cap Garonne, France","Mineralogical Magazine","2021","85","","142","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017753","5.099","","3.251","","5.695","","90","","90","","90","","94.405","","","","","","","","","","","","Hatrurim Formation, Israel","2","P n m a","-P 2ac 2n","62","","","Murashkoite","- Fe P -","- Fe4 P4 -","- Fe4 P4 -","","","","Britvin, S. N.; Vapnik, Y.; Polekhovsky, Y. S.; Krivovichev, S. V.; Krzhizhanovskaya, M. G.; Gorelova, L. A.; Vereshchagin, O. S.; Shilovskikh, V. V.; Zaitsev, A. N.","Murashkoite, FeP, a new terrestrial phosphide from pyrometamorphic rocks of the Hatrurim Formation, South Levant","Mineralogy and Petrology","2019","113","","237","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:20",""
"9017806","6.02797","","6.86383","","9.11562","","90","","90","","90","","377.158","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Atacamite","- Cl Cu2 H3 O3 -","- Cl4 Cu8 H12 O12 -","- Cl4 Cu8 H12 O12 -","","","","Zheng, X. G.; Mori, T.; Nishiyama, K.; Higemoto, W.; Yamada, H.; Nishikubo, K.; Xu, C. N.","Antiferromagnetic transitions in polymorphous minerals of the natural cuprates atacamite and botallackite Cu2Cl(OH)3","Physical Review B - Condensed Matter","2005","71","","174404","174408","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:23",""
"9017822","7.802","","5.908","","10.376","","90","","90","","90","","478.274","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","","- Ba K O4 V -","- Ba4 K4 O16 V4 -","- Ba4 K4 O16 V4 -","","","","Mugavero, S. J.; Bharathy, M.; McAlum, J.; Loye, H. C.","Crystal growth of alkaline earth vanadates from hydroxide fluxes","Solid State Sciences","2008","10","","370","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:25",""