# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T15:38:54+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 1 21/a 1' 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
"1000061","5.062","0.001","8.671","0.002","4.713","0.001","90","","90.27","0.03","90","","206.9","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Aluminium hydroxide","Bayerite","- Al H3 O3 -","- Al H3 O3 -","- Al4 H12 O12 -","4","1","","Rothbauer, R; Zigan, F; O'Daniel, H","Verfeinerung der Struktur des Bayerits, Al (O H)3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1967","125","","317","331","","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000105","20.181","0.003","5.625","0.001","9.438","0.002","90","","105","","90","","1034.9","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Octalead catena-fluorodiferrato(III)manganate(II) decafluoride","","- F24 Fe2 Mn Pb8 -","- F24 Fe2 Mn Pb8 -","- F48 Fe4 Mn2 Pb16 -","2","0.5","","Le Bail, A; Mercier, A M","Crystal structure of Pb~8~MnFe~2~F~24~","European Journal of Solid State Inorganic Chemistry","1992","29","","183","190","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000440","12.3872","0.0002","10.2046","0.0001","5.4946","0.0001","90","","100.767","0.001","90","","682.3","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Calcium dibarium bis(hydrogenphosphate(V)) bis(dihydrogenphosphate(V))","","- Ba2 Ca H6 O16 P4 -","- Ba2 Ca H3 O16 P4 -","- Ba4 Ca2 H6 O32 P8 -","2","0.5","","Toumi, M.; Chabchoub, S.; Smiri-Dogguy, L.; Laligant, Y.","Ab-initio powder structure determination of CaBa~2~(HPO~4~)~2~(H~2~PO~4~)~2~: a new phosphate with a M(TΦ~4~)~4~ chain structure","European Journal of Solid State and Inorganic Chemistry","1997","34","","1249","1257","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1001127","8.78","0.05","5.17","0.05","6.88","0.05","90","","110","1","90","","293.5","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Sodium chlorate - metastable high temperature (255C) phase III","","- Cl Na O3 -","- Cl Na O3 -","- Cl4 Na4 O12 -","4","1","","Meyer, D; Gasperin, M","Etude Structurale d'une Phase haute Temperature instable du Chlorate de Sodium","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1973","96","","18","20","","","","","","","0.16","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001271","17.788","0.011","5.277","0.004","6.607","0.005","90","","99.64","0.05","90","","611.4","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Sodium tungstate phosphate *","","- Na1.5 O32 P4 W8 -","- Na1.5 O32 P4 W8 -","- Na1.5 O32 P4 W8 -","1","0.25","","Benmmoussa, A; Groult, D; Labbe, Ph; Raveau, B","Two New Members of a Series of Monoclinic Sodium Phosphate Tungsten Bronzes Na~x~ P~4~ O~8~ (W O~3~)~2m~: Na~x~ P~4~ W~8~ O~32~ (m=4) and Na~x~ P~4~ W~12~ O~44~ (m=6)","Acta Crystallographica C (39,1983-)","1984","40","","573","576","","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001272","23.775","0.017","5.291","0.001","6.588","0.002","90","","93.47","0.04","90","","827.2","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Sodium tungstate phosphate *","","- Na1.7 O44 P4 W12 -","- Na1.7 O44 P4 W12 -","- Na1.7 O44 P4 W12 -","1","0.25","","Benmmoussa, A; Groult, D; Labbe, Ph; Raveau, B","Two New Members of a Series of Monoclinic Sodium Phosphate Tungsten Bronzes Na~x~ P~4~ O~8~ (W O~3~)~2m~: Na~x~ P~4~ W~8~ O~32~ (m=4) and Na~x~ P~4~ W~12~ O~44~ (m=6)","Acta Crystallographica C (39,1983-)","1984","40","","573","576","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001340","8.803","0.002","7.04","0.002","11.066","0.003","90","","94.12","","90","","684","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Cobalt dineptunium decafluoride octahydrate","","- Co F10 H16 Np2 O8 -","- Co F10 H16 Np2 O8 -","- Co2 F20 H32 Np4 O16 -","2","0.5","","Cousson, A; Abazli, H; Jove, J; Gasperin, M","Synthese et etude structurale des composes Co Np~2~ F~10~ (H~2~ O)~8~ et Cu Np~2~ F~10~ (H~2~ O)~6~","Journal of the Less-Common Metals","1985","109","","155","168","10.1016/0022-5088(85)90115-8","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004149","11.904","0.002","6.8321","0.0006","12.095","0.002","90","","106.989","0.005","90","","941","2","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Caesium dioxouranium tris(vanadate)","","- Cs O11 U V3 -","- Cs O11 U V3 -","- Cs4 O44 U4 V12 -","4","1","","Duribreux, I.; Dion, C.; Abraham, F.; Saadi, M.","CsUV~3~O~11~, a new uranyl vanadate with a layered structure","Journal of Solid State Chemistry","1999","146","1","258","265","10.1006/jssc.1999.8349","","","","","","","0.046","","","0.045","","","","","","","","","","","has coordinates","208739","2020-10-21","18:00:00",""
"1006039","7.7063","0.0004","7.6568","0.0003","5.7889","0.0002","90","","90.434","0.003","90","","341.6","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Potassium tetrafluoromanganate(III)","","- F4 K Mn -","- F4 K Mn -","- F16 K4 Mn4 -","4","1","","Morón, M. C.; Palacio, F.; Rodriguez-Carvajal, J.","Neutron powder diffraction experiments on AMnF~4~ (A = K, Rb): nuclear and magnetic structures","Physica B: Condensed Matter","1992","180","","125","127","10.1016/0921-4526(92)90681-H","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","174781","2020-10-21","18:00:00",""
"1007071","12.053","0.005","7.205","0.001","12.354","0.006","90","","110.85","0.05","90","","1002.6","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Thallium sulfate hexahydroxotellurate","","- H6 O10 S Te Tl2 -","- H6 O10 S Te Tl2 -","- H24 O40 S4 Te4 Tl8 -","4","1","","Zilber, R; Durif, A; Averbuch-Pouchot, M T","Structure of Thallium Sulfate Tellurate (Te (O H)~6~) (Tl~2~ S O~4~)","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1554","1556","10.1107/S0567740882006359","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007086","15.56","0.01","8.358","0.003","13.72","0.01","90","","113.27","0.05","90","","1639.1","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Rubidium cyclo-triphosphate telluric acid hydrate","","- H8 O16 P3 Rb3 Te -","- H6 O16 P3 Rb3 Te -","- H24 O64 P12 Rb12 Te4 -","4","1","","Boudjada, N; Durif, A","Structure d'un trimetaphosphate-tellurate de rubidium monohydrate: Te (O H)~6~ Rb~3~ P~3~ H~2~ O","Acta Crystallographica B (24,1968-38,1982)","1982","38","","595","597","10.1107/S0567740882003458","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007138","12.26","0.01","7.059","0.003","8.225","0.003","90","","90.32","0.05","90","","711.8","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Telluric acid rubidium hydrogenphosphate dihydrogenphosphate","","- H9 O14 P2 Rb3 Te -","- H10.5 O14 P2 Rb3 Te -","- H21 O28 P4 Rb6 Te2 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Structure cristalline d'un phospho-tellurate de rubidium: Te (O H)~6~ Rb~2~ (H P O~4~) Rb (H~2~ P O~4~)","Materials Research Bulletin","1979","14","","1219","1223","10.1016/0025-5408(79)90217-4","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007144","9.606","0.005","6.236","0.005","7.738","0.005","90","","109.07","0.05","90","","438.1","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Rubidium dihydrogenphosphate","","- H2 O4 P Rb -","- H2 O4 P Rb -","- H8 O16 P4 Rb4 -","4","1","","Averbuch-Pouchot, M T; Durif, A","Structure of a New Form of Rubidium Dihydrogenphosphate, Rb H~2~ P O~4~","Acta Crystallographica C (39,1983-)","1985","41","","665","667","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007164","8.51","0.005","14.303","0.008","8.487","0.005","90","","96.51","0.02","90","","1026.4","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetrapotassium copper bis(cyclo-triphosphate) tetrahydrate","","- Cu H8 K4 O22 P6 -","- Cu H8 K4 O22 P6 -","- Cu2 H16 K8 O44 P12 -","2","0.5","","Durif, A; Averbuch-Pouchot, M T","Structure of tetrapotassium copper cyclo-triphosphate tetrahydrate.","Acta Crystallographica C (39,1983-)","1987","43","","819","821","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007176","9.667","","12.358","","6.17","","90","","92.27","0.17","90","","736.5","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Tetrasodium cyclo-tetraphosphate tetrahydrate - monoclinic","","- H8 Na4 O16 P4 -","- H8 Na4 O16 P4 -","- H16 Na8 O32 P8 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","Contribution to the crystal chemistry of tetrametaphosphates (I).","Journal of Solid State Chemistry","1985","58","","119","132","10.1016/0022-4596(85)90275-0","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007178","20.38","0.01","12.683","0.005","7.83","0.002","90","","89.31","0.05","90","","2023.7","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate","","- Ca4 H16 K4 O44 P12 -","- Ca4 H16 K4 O44 P12 -","- Ca8 H32 K8 O88 P24 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal structures of two new types of cyclo-tetraphosphates: tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and calcium disodium cyclo-tetraphosphate 5.5-hydrate","Acta Crystallographica C (39,1983-)","1988","44","","212","216","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007204","9.634","0.001","18.112","0.008","7.292","0.003","90","","103.86","0.05","90","","1235.3","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetrakis(guanidinium) cyclo-tetraphosphate tetrahydrate","","- C4 H32 N12 O16 P4 -","- C4 H32 N12 O16 P4 -","- C8 H64 N24 O32 P8 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","(Tris)guanidinium cyclotriphosphate and (tetra)guanidinium cyclotetraphosphate: two new examples of organic-cation cyclophosphates","European Journal of Solid State Inorganic Chemistry","1993","30","","471","482","","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1007205","9.058","0.007","11.199","0.008","7.764","0.006","90","","108.4","0.01","90","","747.3","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Diammonium dihydrogendiphosphate","","- H10 N2 O7 P2 -","- H10 N2 O7 P2 -","- H40 N8 O28 P8 -","4","1","","Averbuch-Pouchot, M T; Durif, A","Crystal structure of diammonium-dihydrogeno-diphosphate: (NH~4~)~2~H~2~P~2~O~7~","European Journal of Solid State Inorganic Chemistry","1992","29","","191","198","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","186518","2020-10-21","18:00:00",""
"1007219","20.38","0.01","12.683","0.005","7.83","0.002","90","","89.31","","90","","2023.7","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetracalcium tetrapotassium cyclo-tetraphosphate octahydrate","","- Ca4 H16 K4 O44 P12 -","- Ca4 H16 K4 O44 P12 -","- Ca8 H32 K8 O88 P24 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal Structures of Two New Types of cyclo-Tetraphosphates: Tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and Calcium disodium cyclo-tetraphosphate 5.5-hydrate","Acta Crystallographica C (39,1983-)","1988","44","","212","216","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007236","18.32999","0.09","5.45","0.04","9.25","0.06","90","","90.14","0.08","90","","924.1","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Caesium zinc phosphate(V) - III","","- Cs O4 P Zn -","- Cs O4 P Zn -","- Cs8 O32 P8 Zn8 -","8","2","","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","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007247","5.212","0.003","9.913","0.005","4.475","0.003","90","","97.46","0.1","90","","229.3","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Dinickel diphosphate","","- Ni2 O7 P2 -","- Ni2 O7 P2 -","- Ni4 O14 P4 -","2","0.5","","Masse, R; Guitel, J C; Durif, A","Structure cristalline d'une nouvelle variante de pyrophosphate de nickel Ni2 P2 O7","Materials Research Bulletin","1979","14","","337","341","10.1016/0025-5408(79)90098-9","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008008","9.525","0.002","9.989","0.003","9.461","0.002","90","","92.01","","90","","899.6","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","DILITHIUM MERCURY CATENA-PHOSPHATE","","- Hg Li2 O12 P4 -","- Hg Li2 O12 P4 -","- Hg4 Li8 O48 P16 -","4","1","","Averbuch-Pouchot, M T; Tordjman, I; Guitel, J C","Structures cristallines des polyphosphates de cadmium-lithium et de mercure-lithium Cd Li~2~ (P O~3~)~4~ et Hg Li~2~ (P O~3~)~4~","Acta Crystallographica B (24,1968-38,1982)","1976","32","","2953","2956","10.1107/S0567740876009357","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008183","9.716","0.003","7.704","0.003","9.209","0.003","90","","103.73","0.02","90","","669.6","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Copper silver trihydrogenbis(arsenate)","","- Ag As2 Cu H3 O8 -","- Ag As2 Cu H3 O8 -","- Ag4 As8 Cu4 H12 O32 -","4","1","","Boudjada, A; Masse, R; Guitel, J C","Structure Cristalline d'un Orthoarseniate Acide Mixte de Cuivre(II)- Argent: Cu Ag H~3~ (As O~4~)~2~","Acta Crystallographica B (24,1968-38,1982)","1982","38","","710","713","10.1107/S0567740882003926","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008218","15.43","0.01","5.512","0.005","13.72","0.01","90","","108.53","0.05","90","","1106.4","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Lithium potassium catena-phosphate","","- K Li O6 P2 -","- K Li O6 P2 -","- K8 Li8 O48 P16 -","8","2","","El Horr, N; Bagieu, M; Tordjman, I","Structure d'un polyphosphate mixte de lithium et de potassium, Li K (P O~3~)~2~","Acta Crystallographica C (39,1983-)","1983","39","","1597","1599","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008241","14.891","0.005","7.604","0.005","9.62","0.006","90","","96.02","0.05","90","","1083.3","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Mercury diammonium dichloride dichromate","","- Cl2 Cr2 H8 Hg N2 O7 -","- Cl2 Cr2 H8 Hg N2 O7 -","- Cl8 Cr8 H32 Hg4 N8 O28 -","4","1","","Averbuch-Pouchot, M T; El-Horr, N; Guitel, J C","Structures of Mercury Dichloride - Dipotassium Dichromate (1/1), Hg Cl~2~ K~2~ Cr~2~ O~7~, and Mercury Dichloride - Diammonium Dichromate (1/1), Hg Cl~2~ ((N H~4~)~2~ Cr~2~ O~7~)","Acta Crystallographica C (39,1983-)","1984","40","","725","728","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008247","8.606","0.003","6.346","0.003","6.811","0.003","90","","94.16","0.01","90","","371","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","COPPER HYDROGENPHOSPHATE HYDRATE","","- Cu H3 O5 P -","- Cu H3 O5 P -","- Cu4 H12 O20 P4 -","4","1","","Boudjada, A","Structure cristalline de l'orthophosphate monoacide de cuivre monohydrate Cu (H P O~4~) (H~2~ O)","Materials Research Bulletin","1980","15","","1083","1090","10.1016/0025-5408(80)90070-7","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008270","13.34","0.01","7.16","0.005","6.939","0.005","90","","100.14","","90","","652.4","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Telluric acid dipotassium nitrate dihydrate","","- H10 K2 N2 O14 Te -","- H10 K2 N2 O14 Te -","- H20 K4 N4 O28 Te2 -","2","0.5","","Averbuch-Pouchot, M T","Crystal structure of Te(O H)~6~ * 2 K N O~3~ * 2 H~2~ O: an addition compound of telluric acid","Zeitschrift fuer Kristallographie (149,1979-)","1984","167","","247","252","","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008436","9.67","0.005","14.231","0.01","6.265","0.005","90","","100.1","0.07","90","","848.8","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Caesium hydrogen molybdatodiphosphate","","- Cs H Mo O9 P2 -","- Cs H Mo O9 P2 -","- Cs4 H4 Mo4 O36 P8 -","4","1","","Averbuch-Pouchot, M T","Synthesis and Crystal Structure of Cs H Mo O~2~ (P~2~ O~7~)","Journal of Solid State Chemistry","1989","79","","296","299","10.1016/0022-4596(89)90279-X","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008657","14.546","0.01","15.211","0.01","9.86","0.006","90","","105.12","0.04","90","","2106.1","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Dipotassium tetramanganese cyclo-decaphosphate 18-hydrate","","- H36 K2 Mn4 O48 P10 -","- H36 K2 Mn4 O48 P10 -","- H72 K4 Mn8 O96 P20 -","2","0.5","","Schuelke, U; Averbuch-Pouchot, M T","Preparation and crystal structure of potassium manganese cyclodecaphosphate octadecahydrate: K~2~Mn~4~P~10~O~30~ . 18H~2~O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","545","550","10.1002/zaac.19946200327","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008944","18.01399","0.008","8.535","0.003","11.584","0.005","90","","104.48","0.02","90","","1724.5","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Dibarium trilithium heptakis(catena-phosphate)","","- Ba2 Li3 O21 P7 -","- Ba2 Li3 O21 P7 -","- Ba8 Li12 O84 P28 -","4","1","","El Horr, N; Bagieu, M; Guitel, J C; Tordjman, I","Crystal data and crystal structure of barium-lithium polyphosphate Ba2 Li3 (P O3)7","Zeitschrift fuer Kristallographie (149,1979-)","1984","169","","73","82","10.1524/zkri.1984.169.1-4.73","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010207","9.51","","11.93","","4.23","","90","","90","0","90","","479.9","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Potassium tetrabromoaurate dihydrate","","- Au Br4 H4 K O2 -","- Au Br4 H4 K O2 -","- Au2 Br8 H8 K2 O4 -","2","0.5","","Cox, E. G.; Webster, K. C.","The Stereochemistry of Quadricovalent Atoms: Tervalent Gold","Journal of the Chemical Society","1936","1936","","1635","1637","10.1039/JR9360001635","","","","","","","","","","","","","","","","","","","","","has coordinates","188738","2020-10-21","18:00:00",""
"1010467","8.25","","4.95","","8.44","","90","","107.9","","90","","328","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Lithium sulfate","","- Li2 O4 S -","- Li2 O4 S -","- Li8 O16 S4 -","4","1","","Albright, J G","The Crystal Structure of Lithium Sulphate","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","84","","150","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010753","15.68","0.05","19.01","0.05","4.03","0.01","90","","94.8","0.5","90","","1197","","","","","","","","","","","","from Cornwall, England","4","P 1 21/a 1","-P 2yab","14","","Tetralead iron hexaantimony sulfide","Jamesonite","- Fe Pb4 S14 Sb6 -","","","2","0.5","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1011227","15.33","","7.28","","7.07","","90","","95.41","","90","","785.5","","","","","","","","","","","","from Cziklova, Banat","3","P 1 21/a 1","-P 2yab","14","","Calcium catena-trisilicate","Wollastonite 2M","- Ca3 O9 Si3 -","- Ca3 O9 Si3 -","- Ca12 O36 Si12 -","4","1","","Barnick, M","Strukturuntersuchungen des natuerlichen Wollastonits","Diss. Univ. Berlin","1936","1936","","1","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100672","16.152","0.006","10.127","0.005","11.45","0.005","90","","105.48","0.03","90","","1805","1.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","5-chloro-2-methyl-4-isothiazoline-3-one and 4,4'-ethylidenebisphenol","5-chloro-2-methyl-4-isothiazoline-3-one 4,4'-ethane-1,1-diyldiphenol","","- C18 H18 Cl N O3 S -","- C18 H18 Cl N O3 S -","- C72 H72 Cl4 N4 O12 S4 -","4","1","","Sekine, Akiko; Jomoto, Kohei; Uekusa, Hidehiro; Ohashi, Yuji; Yagi, Minoru","Crystal Structure of a Host-guest Complex of 4,4'-Ethylidenebisphenol and 5-Chloro-2-methyl-4-isothiazoline-3-one","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x45","x46","10.2116/analscix.19.x45","","","0.71069","MoKα","","0.1098","0.052","","","0.1251","0.146","","","","","","1.028","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1100673","12.402","0.002","10.257","0.002","11.295","0.003","90","","96.856","0.01","90","","1426.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","CMI gallate","5-chloro-2-methylisothiazol-3(2H)-one methyl 1,3,4,5-trihydroxybenzoate","","- C12 H12 Cl N O6 S -","- C12 H12 Cl N O6 S -","- C48 H48 Cl4 N4 O24 S4 -","4","1","","Sekine, Akiko; Mitsumori, Takahiro; Uekusa, Hidehiro; Ohashi, Yuji; Yagi, Minoru","Crystal Structure of a Host-guest Complex of 4,4'-Ethylidenebisphenol and 5-Chloro-2-methyl-4-isothiazoline-3-one","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x47","x48","10.2116/analscix.19.x47","","","0.71073","MoKα","","0.0649","0.0392","","","0.1096","0.1251","","","","","","0.913","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1100940","13.702","0.0008","13.805","0.0011","15.196","0.0012","90","0.006","101.52","0.006","90","0.006","2816.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C28 H22 Cl N7 O6 Ru -","- C28 H22 Cl N7 O6 Ru -","- C112 H88 Cl4 N28 O24 Ru4 -","4","1","","Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri","Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects","Inorganic Chemistry","2005","44","","3499","3511","10.1021/ic048184w","","","0.7093","MoKα","","0.0428","0.033","","","0.0757","0.0817","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101072","12.159","0.001","5.038","0.002","12.491","0.002","90","","108.87","0.01","90","","724.038","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","N-(Aminoiminomethyl)-N-methylglycine monohydrate","","","- C4 H11 N3 O3 -","- C4 H11 N3 O3 -","- C16 H44 N12 O12 -","4","1","","Arakali, Aruna V.; McCloskeyt, J.; Parthasarathy, R.; Alderfer, J. L.; Chheda, G. B.; Srikrishnan, T.","Study of Creatinine and its 5-Alkoxy Analogs: Structure and Conformational Studies in the Solid and Solution States by X-Ray Crystallography, NMR, UV and Mass Spectrometry","Nucleosides & Nucleotides","1997","16","12","2193","2218","10.1080/07328319708002567","","","","","","","","","","","","","","","","","","","","","has coordinates","210094","2020-10-21","18:00:00",""
"1101076","15.75","0.006","19.125","0.003","4.03","0.004","90","","91.68","0.08","90","","1213.4","1.3","296","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","Iron tetralead hexaantimony sulfide","Jamesonite","- Fe Pb4 S14 Sb6 -","- Fe Pb4 S14 Sb6 -","- Fe2 Pb8 S28 Sb12 -","2","0.5","","Matsushita, Yoshitaka; Ueda, Yutaka","Structure and Physical Properties of 1D Magnetic Chalcogenide, Jamesonite (FePb4Sb6S14)","Inorg. Chem.","2003","42","","7830","7838","10.1021/ic034634t","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1200021","12.4556","0.0004","11.41","0.0007","9.8681","0.0007","90","","101.318","0.004","90","","1375.2","0.1","297","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H12 O7 -","- C16 H12 O7 -","- C64 H48 O28 -","4","1","","Fujii, Isao; Hirayama, Noriaki","Structure of Capillarisin","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","X63","X64","10.2116/analscix.19.x63","","","1.5418","CuKα","","","0.04","","","","0.148","","","","","","1.21","","","","has coordinates","274643","2022-04-22","16:48:32",""
"1502139","11.8709","0.0017","18.0107","0.0017","9.9332","0.0015","90","","117.349","0.0087","90","","1886.4","0.5","80","","80","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","6,10-dimethyl-15b-phosphanaphtho[1,8-ab]perylene","","","- C28 H19 P -","- C28 H19 P -","- C112 H76 P4 -","4","1","","Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu","Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction.","Organic letters","2011","13","8","2130","2133","10.1021/ol200571s","powder diffraction","","1.3","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502480","7.4161","0.0011","13.563","0.002","29.24","0.004","90","","90","","90","","2941.1","0.7","291","2","291","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H14 N2 S -","- C18 H14 N2 S -","- C144 H112 N16 S8 -","8","2","","Huang, Guoli; Sun, Hongsheng; Qiu, Xiaojie; Jin, Can; Lin, Chen; Shen, Yingzhong; Jiang, Juli; Wang, Leyong","Ligand-free copper-catalyzed regioselective C-2 arylation of imidazo[2,1-b]thiazoles.","Organic letters","2011","13","19","5224","5227","10.1021/ol2021109","","","0.71073","MoKα","","0.0914","0.0606","","","0.1339","0.1417","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502609","7.632","0.003","11.523","0.005","16.749","0.008","90","","98.856","0.006","90","","1455.4","1.1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","NMe2_BF2","","","- C15 H16 B F2 N3 O -","- C15 H16 B F2 N3 O -","- C60 H64 B4 F8 N12 O4 -","4","1","","Kubota, Yasuhiro; Hara, Hiroshi; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki","Synthesis and fluorescence properties of novel pyrazine-boron complexes bearing a β-iminoketone ligand.","Organic letters","2011","13","24","6544","6547","10.1021/ol202819w","","","0.71075","MoKα","","0.1839","0.1153","","","0.2703","0.2966","","","","","","1.44","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502695","8.6041","0.0002","7.8833","0.0001","18.1199","0.0003","90","","101.13","0.0008","90","","1205.93","0.04","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C24 H36 O8 -","- C24 H36 O8 -","- C48 H72 O16 -","2","0.5","","Balomenou, Ioanna; Kaloudi-Chantzea, Antonia; Bokias, Georgios; Kallitsis, Joannis K.; Raptopoulou, Catherine P.; Terzis, Aris; Pistolis, George","Medium effect on the geometric isomerism of a centrosymmetrically disubstituted naphthalene derivative with flexible methoxytriethylene glycol chains.","The journal of physical chemistry. B","2010","114","24","8181","8190","10.1021/jp103095z","","","1.5418","CuKα","","0.0631","0.0579","","","0.1666","0.1718","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502719","20.2439","0.0014","14.5966","0.0009","21.7947","0.0016","90","","100.403","0.002","90","","6334.3","0.7","153","2","153","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","C60Ph5BuBr","","- C107 H47 Br -","- C107 H47 Br -","- C428 H188 Br4 -","4","1","","Matsuo, Yutaka; Lacher, Sebastian; Sakamoto, Aiko; Matsuo, Keiko; Nakamura, Eiichi","Conical Pentaaryl[60]fullerene Thiols: Self-Assembled Monolayers on Gold and Photocurrent Generating Property","The Journal of Physical Chemistry C","2010","114","41","17741","","10.1021/jp1059402","","x-ray","0.71073","MoKα","","0.1639","0.1178","","","0.3297","0.3793","","","","","","1.232","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502948","11.701","0.007","5.714","0.003","17.818","0.011","90","","96.491","0.009","90","","1183.7","1.2","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","","Nakamura, Itaru; Okamoto, Masashi; Terada, Masahiro","Gold-catalyzed cyclization and subsequent arylidene group transfer of O-propioloyl oximes.","Organic letters","2010","12","11","2453","2455","10.1021/ol100581m","","","0.7107","MoKα","","","0.0398","","","","0.0881","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502983","8.0518","0.0006","15.3345","0.0012","8.7652","0.0007","90","","96.317","0.002","90","","1075.67","0.14","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H11 N S2 -","- C11 H11 N S2 -","- C44 H44 N4 S8 -","4","1","","Gontier, Elodie; Bellec, Nathalie; Brignou, Pierre; Gohier, Arnaud; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Pyridyldithiafulvenes as precursors of coordination-driven self-assembled redox active macrocycle.","Organic letters","2010","12","10","2386","2389","10.1021/ol1007422","","x-ray","0.71073","MoKα","","0.0334","0.0313","","","0.0811","0.0825","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503076","9.73374","0.00019","10.3541","0.0002","15.0615","0.0003","90","","82.338","0.0011","90","","1504.41","0.05","123.1","","123.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H23 N O -","- C17 H23 N O -","- C68 H92 N4 O4 -","4","1","","Nishimoto, Yoshihiro; Ueda, Hiroki; Inamoto, Yoshihiro; Yasuda, Makoto; Baba, Akio","Regioselective carboindation of simple alkenes with indium tribromide and ketene silyl acetals.","Organic letters","2010","12","15","3390","3393","10.1021/ol1012108","","","1.54187","CuKα","","","0.069","","","","0.0893","","","","","","0.943","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503087","10.2808","0.0003","15.2707","0.0005","12.1045","0.0004","90","","95.07","0.002","90","","1892.91","0.1","123","2","123","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C24 H26 O2 -","- C24 H26 O2 -","- C96 H104 O8 -","4","1","","Ogoshi, Sensuke; Nishimura, Akira; Ohashi, Masato","Nickel-catalyzed [2 + 2 + 2] cycloaddition of two enones and an alkyne.","Organic letters","2010","12","15","3450","3452","10.1021/ol101264r","","","1.54186","CuKα","","0.0752","0.0509","","","0.1148","0.1421","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503180","9.956","0.006","20.04","0.01","11.392","0.007","90","","109.09","0.02","90","","2148","2","123.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H35 Cl O2 Si -","- C20 H35 Cl O2 Si -","- C80 H140 Cl4 O8 Si4 -","4","1","","Matsuo, Jun-ichi; Kawano, Mizuki; Okuno, Ryosuke; Ishibashi, Hiroyuki","Titanium(IV) chloride-mediated carbon-carbon bond-forming reaction between 3,3-dialkylcyclobutanones and aldehydes.","Organic letters","2010","12","17","3960","3962","10.1021/ol101653b","","","0.7107","MoKα","","","0.0619","","","","0.0753","","","","","","1.046","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503188","10.266","0.003","16.834","0.007","11.491","0.006","90","","114.101","0.015","90","","1812.7","1.3","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","1","","Shintani, Ryo; Soh, Ying-Teck; Hayashi, Tamio","Rhodium-catalyzed asymmetric arylation of azomethine imines.","Organic letters","2010","12","18","4106","4109","10.1021/ol101700v","","","0.71075","MoKα","","0.0708","0.0534","","","0.1412","0.1528","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503280","9.588","0.004","18.682","0.009","11.326","0.007","90","","108.987","0.019","90","","1918.4","1.7","200.1","","200.1","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C25 H16 N6 -","- C25 H16 N6 -","- C100 H64 N24 -","4","1","","Suzuki, Shuichi; Fukui, Kozo; Fuyuhiro, Akira; Sato, Kazunobu; Takui, Takeji; Nakasuji, Kazuhiro; Morita, Yasushi","Hexaazaphenalene derivatives: one-pot synthesis, hydrogen-bonded chiral helix, and fluorescence properties.","Organic letters","2010","12","21","5036","5039","10.1021/ol102200v","","","0.71075","MoKα","","","0.0377","","","","0.109","","","","","","1.067","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503321","12.191","0.003","7.1808","0.0017","13.68","0.003","90","","103.631","0.004","90","","1163.8","0.5","123.1","","123","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 Cu O5 S -","- C10 H12 Cu O5 S -","- C40 H48 Cu4 O20 S4 -","4","1","","Matsuo, Kazumasa; Shindo, Mitsuru","Cu(II)-catalyzed acylation by thiol esters under neutral conditions: tandem acylation-wittig reaction leading to a one-pot synthesis of butenolides.","Organic letters","2010","12","22","5346","5349","10.1021/ol102407k","","","0.7107","MoKα","","","0.0264","","","","0.0723","","","","","","1.019","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503427","17.276","0.005","17.432","0.005","18.466","0.005","90","","91.919","0.013","90","","5558","3","200.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C56.3 H46.3 Cl3.9 F12 N3 P2 -","- C56.15 H46.15 Cl3.375 F12 N3 P2 -","- C224.6 H184.6 Cl13.5 F48 N12 P8 -","4","1","","Matsumoto, Kouzou; Inokuchi, Daisuke; Hirao, Yasukazu; Kurata, Hiroyuki; Sato, Kazunobu; Takui, Takeji; Kubo, Takashi","Synthesis and identification of a trimethylenemethane derivative pi-extended with three pyridinyl radicals.","Organic letters","2010","12","4","836","839","10.1021/ol902937k","","","0.71075","MoKα","","","0.0975","","","","0.3416","","","","","","1.305","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503582","9.587","0.004","6.368","0.002","27.417","0.011","90","","96.254","0.006","90","","1663.8","1.1","103","2","103","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Kawasumi, Katsuaki; Mochida, Kenji; Kajino, Tomonori; Segawa, Yasutomo; Itami, Kenichiro","Pd(OAc)2/o-chloranil/M(OTf)n: a catalyst for the direct C-H arylation of polycyclic aromatic hydrocarbons with boryl-, silyl-, and unfunctionalized arenes.","Organic letters","2012","14","1","418","421","10.1021/ol203235w","","","0.7107","MoKα","","0.1623","0.0909","","","0.214","0.2694","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503862","14.8","0.006","14.463","0.006","16.996","0.007","90","","90.6671","0.0018","90","","3638","3","103","2","103","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C52 H38 -","- C52 H38 -","- C208 H152 -","4","1","","Kitazawa, Kentaroh; Kochi, Takuya; Sato, Mitsuo; Kakiuchi, Fumitoshi","Convenient synthesis of tetra- and hexaarylanthracenes by means of RuH2(CO)(PPh3)3-catalyzed C-H arylation of anthraquinone with arylboronates.","Organic letters","2009","11","9","1951","1954","10.1021/ol900393x","","","0.7107","MoKα","","0.0514","0.0481","","","0.1193","0.1226","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503980","11.5118","0.0008","8.8192","0.0006","17.5093","0.0014","90","","105.927","0.003","90","","1709.4","0.2","173.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H18 Cl N O6 -","- C17 H18 Cl N O6 -","- C68 H72 Cl4 N4 O24 -","4","1","","Yamazaki, Shoko; Morikawa, Satoshi; Miyazaki, Kazuya; Takebayashi, Masachika; Yamamoto, Yuko; Morimoto, Tsumoru; Kakiuchi, Kiyomi; Mikata, Yuji","Zinc-catalyzed reactions of ethenetricarboxylates with 2-(trimethylsilylethynyl)anilines leading to bridged quinoline derivatives.","Organic letters","2009","11","13","2796","2799","10.1021/ol900960q","","","0.7107","MoKα","","","0.044","","","","0.1197","","","","","","1.048","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504007","7.518","0.003","27.568","0.008","12.404","0.004","90","","105.52","0.02","90","","2477.1","1.5","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H20 Cl2 N6 O4 -","- C28 H20 Cl2 N6 O4 -","- C112 H80 Cl8 N24 O16 -","4","1","","Sinan, Mominul; Panda, Manashi; Banerjee, Priyabrata; Shinisha, C. B.; Sunoj, Raghavan B.; Goswami, Sreebrata","Synthesis of azoaromatic dyes via redox driven C-N bond fusion.","Organic letters","2009","11","15","3218","3221","10.1021/ol9011184","","","0.71073","MoKα","","0.1195","0.0565","","","0.0911","0.1109","","","","","","0.963","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504239","7.578","0.004","17.794","0.01","8.169","0.005","90","","87.67","0.04","90","","1100.6","1.1","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","ethyl 1-hydroxy-4-(methylamino)-2-naphthoate","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Kise, Naoki; Isemoto, Shinsaku; Sakurai, Toshihiko","Electroreductive coupling of phthalimides with alpha,beta-unsaturated esters: unusual rearrangement of resulting silyl ketene acetals.","Organic letters","2009","11","21","4902","4905","10.1021/ol902016a","","","0.71075","MoKα","","0.0781","0.0435","","","0.1066","0.1194","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504251","22.641","0.004","5.6658","0.0016","22.789","0.006","90","","85.983","0.011","90","","2916.2","1.2","123.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H20 N2 O3 S -","- C13 H20 N2 O3 S -","- C104 H160 N16 O24 S8 -","8","2","","Namba, Kosuke; Shoji, Isamu; Nishizawa, Mugio; Tanino, Keiji","4-Aminopyridine catalyzed direct and regioselective acylation of N-tosylhydrazide.","Organic letters","2009","11","21","4970","4973","10.1021/ol9021194","","","0.71075","MoKα","","","0.1074","","","","0.1751","","","","","","0.801","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504281","18.099","0.004","8.285","0.003","19.042","0.005","90","","105.218","0.009","90","","2755.2","1.4","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C60 H44 Br4 Cl6 N2 O4 -","- C60 H44 Br4 Cl6 N2 O4 -","- C120 H88 Br8 Cl12 N4 O8 -","2","0.5","","Nakazono, Satomi; Easwaramoorthi, Shanmugam; Kim, Dongho; Shinokubo, Hiroshi; Osuka, Atsuhiro","Synthesis of arylated perylene bisimides through C-H bond cleavage under ruthenium catalysis.","Organic letters","2009","11","23","5426","5429","10.1021/ol902271b","","","0.71075","MoKα","","0.1006","0.0727","","","0.215","0.2335","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504361","10.954","0.004","7.526","0.003","12.334","0.006","90","","102.81","0.02","90","","991.5","0.7","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H14 Fe -","- C12 H14 Fe -","- C48 H56 Fe4 -","4","1","","Lousada, Claudio M.; Pinto, Susana S.; Lopes, José N Canongia; da Piedade, M. Fatima Minas; Diogo, Hermínio P; da Piedade, Manuel E Minas","Experimental and molecular dynamics simulation study of the sublimation and vaporization energetics of iron metalocenes. crystal structures of Fe(eta5-C5H4CH3)2 and Fe[(eta5-(C5H5)(eta5-C5H4CHO)].","The journal of physical chemistry. A","2008","112","13","2977","2987","10.1021/jp7107818","","","0.71073","MoKα","","0.1041","0.0798","","","0.2026","0.2201","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504476","17.072","0.001","5.6379","0.0003","18.96","0.001","90","","99.389","0.002","90","","1800.46","0.17","273.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H20 O S -","- C22 H20 O S -","- C88 H80 O4 S4 -","4","1","","Yamashita, Fumikazu; Kuniyasu, Hitoshi; Terao, Jun; Kambe, Nobuaki","Platinum-catalyzed regio- and stereoselective arylthiolation of internal alkynes.","Organic letters","2008","10","1","101","104","10.1021/ol7025069","","","0.7107","MoKα","","","0.0387","","","","0.084","","","","","","1.045","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504525","17.924","0.004","8.0399","0.0016","21.091","0.004","90","","103.35","0.004","90","","2957.2","1","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C41 H30 N3 P -","- C41 H30 N3 P -","- C164 H120 N12 P4 -","4","1","","Matano, Yoshihiro; Nakashima, Makoto; Nakabuchi, Takashi; Imahori, Hiroshi; Fujishige, Shinya; Nakano, Haruyuki","Monophosphaporphyrins: oxidative pi-extension at the peripherally fused carbocycle of the phosphaporphyrin ring.","Organic letters","2008","10","4","553","556","10.1021/ol7029118","","","0.7107","MoKα","","0.1019","0.0781","","","0.1276","0.1399","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504694","11.1771","0.0004","14.9463","0.0005","11.0961","0.0006","90","","122.578","0.001","90","","1562.01","0.12","274.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","1","","Minami, Yasunori; Kuniyasu, Hitoshi; Kambe, Nobuaki","One-pot syntheses of 2,3-dihydrothiopyran-4-one derivatives by Pd/Cu-catalyzed reactions of alpha,beta-unsaturated thioesters with propargyl alcohols.","Organic letters","2008","10","12","2469","2472","10.1021/ol800754w","","","0.7107","MoKα","","","0.0744","","","","0.1844","","","","","","2.843","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504945","7.6258","0.0002","13.1985","0.0003","16.3312","0.0005","90","","100.566","0.001","90","","1615.85","0.07","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H16 Cs N O7 -","- C14 H16 Cs N O7 -","- C56 H64 Cs4 N4 O28 -","4","1","","Tellam, James P.; Kociok-Köhn, Gabriele; Carbery, David R.","An Ireland-Claisen approach to beta-alkoxy alpha-amino acids.","Organic letters","2008","10","22","5199","5202","10.1021/ol802169j","","","0.71073","MoKα","","0.0429","0.0329","","","0.0774","0.0831","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504968","11.563","0.003","12.755","0.003","11.583","0.003","90","","98.139","0.003","90","","1691.1","0.7","113.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C9 H20 Cl3 O2 P2 Rh -","- C9 H20 Cl3 O2 P2 Rh -","- C36 H80 Cl12 O8 P8 Rh4 -","4","1","","Kashiwabara, Taigo; Fuse, Kouichiro; Hua, Ruimao; Tanaka, Masato","Rhodium-complex-catalyzed addition reactions of chloroacetyl chlorides to alkynes.","Organic letters","2008","10","23","5469","5472","10.1021/ol802260w","","","0.7107","MoKα","","","0.044","","","","0.058","","","","","","0.988","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505016","8.346","0.001","14.28","0.004","8.376","0.003","90","","93.43","0.02","90","","996.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H14 Cl4 Cu2 N10 -","- C14 H14 Cl4 Cu2 N10 -","- C28 H28 Cl8 Cu4 N20 -","2","0.5","","Tardito, Saverio; Bussolati, Ovidio; Maffini, Monica; Tegoni, Matteo; Giannetto, Marco; Dall'asta, Valeria; Franchi-Gazzola, Renata; Lanfranchi, Maurizio; Pellinghelli, Maria Angela; Mucchino, Claudio; Mori, Giovanni; Marchio, Luciano","Thioamido coordination in a thioxo-1,2,4-triazole copper(II) complex enhances nonapoptotic programmed cell death associated with copper accumulation and oxidative stress in human cancer cells.","Journal of medicinal chemistry","2007","50","8","1916","1924","10.1021/jm061174f","","","1.5418","CuKα","","0.0915","0.0375","","","0.0523","0.0605","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505100","7.1709","0.0008","8.5496","0.0009","16.7981","0.0018","90","","92.416","0.011","90","","1028.95","0.19","423","","423","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C32 H16 -","- C32 H16 -","- C64 H32 -","2","0.5","","Heinrich, M.A.; Pflaum, J.; Tripathi, A.K.; Frey, W.; Steigerwald, M.L.; Siegrist, T.","Enantiotropic Polymorphism in Di-indenoperylene","Journal of Physical Chemistry C","2007","111","51","18878","","10.1021/jp0748967","","","0.71073","MoKα","","0.2571","0.0327","","0.1088","0.0598","0.1088","","","","","","1.199","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505243","13.042","0.004","6.878","0.002","14.555","0.005","90","0.0011","106.698","0.0014","90","0.0011","1250.6","0.7","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H22 O4 S2 Si2 -","- C26 H22 O4 S2 Si2 -","- C52 H44 O8 S4 Si4 -","2","0.5","","Mouri, Kazuhiro; Wakamiya, Atsushi; Yamada, Hiroshi; Kajiwara, Takashi; Yamaguchi, Shigehiro","Ladder distyrylbenzenes with silicon and chalcogen bridges: synthesis, structures, and properties.","Organic letters","2007","9","1","93","96","10.1021/ol062615s","","","0.7107","MoKα","","0.07","0.0523","","","0.1107","0.1198","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505323","12.7723","0.0005","7.1792","0.0002","14.2615","0.0007","90","","105.767","0.0018","90","","1258.5","0.09","200","1","200","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Rostami, Ali; Wang, Yong; Arif, Atta M.; McDonald, Robert; West, F. G.","Intramolecular azide trapping of the Nazarov intermediate: formation of peroxy-bridged indolizidinones via a deep-seated rearrangement and aerobic oxidation.","Organic letters","2007","9","4","703","706","10.1021/ol070053m","","","0.71073","MoKα","","0.0506","0.039","","","0.093","0.0994","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505392","13.031","0.003","9.94","0.002","13.631","0.003","90","","113.908","0.013","90","","1614.1","0.6","123.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C76 H72 O12 S4 -","4","1","","Shindo, Mitsuru; Yoshimura, Yutaka; Hayashi, Maiko; Soejima, Hiroe; Yoshikawa, Takashi; Matsumoto, Kenji; Shishido, Kozo","Synthesis of multisubstituted furans, pyrroles, and thiophenes via ynolates.","Organic letters","2007","9","10","1963","1966","10.1021/ol0705200","","","1.54187","CuKα","","","0.0397","","","","0.1064","","","","","","1.08","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505418","23.045","0.0008","6.8145","0.0005","23.8953","0.0008","90","","97.8218","0.0013","90","","3717.6","0.3","120","","120","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C90 H122 O2 -","- C90 H122 O2 -","- C180 H244 O4 -","2","0.5","","Dou, Xi; Yang, Xiaoyin; Bodwell, Graham J.; Wagner, Manfred; Enkelmann, Volker; Müllen, Klaus","Unexpected phenyl group rearrangement during an intramolecular Scholl reaction leading to an alkoxy-substituted hexa-peri-hexabenzocoronene.","Organic letters","2007","9","13","2485","2488","10.1021/ol0708018","","","0.71073","MoKα","","0.0486","0.0504","","0.047","0.047","0.047","","","","","","0.9049","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505553","14.646","0.002","8.669","0.001","10.955","0.001","90","","103.934","0.009","90","","1350","0.3","298.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H10 Se2 -","- C18 H10 Se2 -","- C72 H40 Se8 -","4","1","","Ebata, Hideaki; Miyazaki, Eigo; Yamamoto, Tatsuya; Takimiya, Kazuo","Synthesis, properties, and structures of benzo[1,2-b:4,5-b']bis[b]benzothiophene and benzo[1,2-b:4,5-b']bis[b]benzoselenophene.","Organic letters","2007","9","22","4499","4502","10.1021/ol701815j","","","0.7107","MoKα","","","0.0314","","","","0.1197","","","","","","0.79","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505600","12.499","0.0002","7.7906","0.0001","13.1409","0.0002","90","","95.0722","0.0011","90","","1274.58","0.03","200","","200","","","","","","","","local","3","P 1 21/a 1","-P 2yab","14","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Bissember, Alex C.; Phillis, Andrew T.; Banwell, Martin G.; Willis, Anthony C.","Base-promoted reactions of dichlorocarbene adducts of cyclic enamines: a new route to annulated pyrroles.","Organic letters","2007","9","26","5421","5424","10.1021/ol7021774","","","0.71073","MoKα","","0.0562","0.0341","","0.054","0.0417","0.0417","","","","","","1.1294","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505602","9.7467","0.0005","16.6619","0.0009","12.1852","0.0007","90","","100.679","0.003","90","","1944.59","0.18","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C108 H84 N4 O8 -","4","1","","Bissember, Alex C.; Phillis, Andrew T.; Banwell, Martin G.; Willis, Anthony C.","Base-promoted reactions of dichlorocarbene adducts of cyclic enamines: a new route to annulated pyrroles.","Organic letters","2007","9","26","5421","5424","10.1021/ol7021774","","","0.71073","MoKα","","0.0851","0.0623","","0.0549","0.0518","0.0518","","","","","","1.1188","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505647","15.0927","0.0008","31.3789","0.0016","15.938","0.0009","90","","108.825","0.002","90","","7144.4","0.7","100","","100","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H18 N2 O2 Si -","- C13 H18 N2 O2 Si -","- C260 H360 N40 O40 Si20 -","20","5","","Pinkerton, David M.; Banwell, Martin G.; Willis, Anthony C.","Total syntheses of tambjamines C, E, F, G, H, I and J, BE-18591, and a related alkaloid from the marine bacterium Pseudoalteromonas tunicata.","Organic letters","2007","9","24","5127","5130","10.1021/ol7024313","","","0.71073","MoKα","","0.0633","0.0456","","0.0563","0.0441","0.0441","","","","","","1.1516","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505817","19.286","0.002","8.198","0.002","12.114","0.002","90","","98.967","0.01","90","","1891.9","0.6","298.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H24 N2 O5 S -","- C18 H24 N2 O5 S -","- C72 H96 N8 O20 S4 -","4","1","","Tokumaru, Kazuyuki; Arai, Shigeru; Nishida, Atsushi","Stereoselective furan-iminium cation cyclization in the construction of the core structure of manzamine A.","Organic letters","2006","8","1","27","30","10.1021/ol052387m","","","1.5418","CuKα","","","0.0484","","","","0.0609","","","","","","1.706","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505911","21.326","0.005","21.2","0.005","23.53","0.005","90","0.005","111.92","0.005","90","0.005","9869","4","153","2","153","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","","","- C151 H80 O10 -","- C151 H80 O10 -","- C604 H320 O40 -","4","1","","Zhong, Yu-Wu; Matsuo, Yutaka; Nakamura, Eiichi","Convergent synthesis of a polyfunctionalized fullerene by regioselective five-fold addition of a functionalized organocopper reagent to C60.","Organic letters","2006","8","7","1463","1466","10.1021/ol060282t","","x-ray","0.71069","MoKα","","0.1976","0.1211","","","0.291","0.3447","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506030","8.314","0.002","20.024","0.001","10.969","0.001","90","","102.5","0.01","90","","1782.8","0.5","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","1","","Ichikawa, Junji; Kaneko, Mikio; Yokota, Misaki; Itonaga, Masaaki; Yokoyama, Takaharu","Friedel-Crafts-type cyclization of 2,2-difluorovinyl ketones via alpha-fluorocarbocations and its application in domino cyclizations.","Organic letters","2006","8","15","3167","3170","10.1021/ol060912r","","","1.5418","CuKα","","0.0667","0.0441","","","0.1163","0.1274","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506031","7.996","0.005","17.12","0.009","12.331","0.007","90","","105.079","0.002","90","","1629.9","1.6","120","2","120","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H22 O -","- C22 H22 O -","- C88 H88 O4 -","4","1","","Ichikawa, Junji; Kaneko, Mikio; Yokota, Misaki; Itonaga, Masaaki; Yokoyama, Takaharu","Friedel-Crafts-type cyclization of 2,2-difluorovinyl ketones via alpha-fluorocarbocations and its application in domino cyclizations.","Organic letters","2006","8","15","3167","3170","10.1021/ol060912r","","","0.7107","MoKα","","0.0627","0.0599","","","0.1584","0.1598","","","","","","1.135","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506039","9.238","0.002","13.245","0.002","13.418","0.002","90","","93.79","0.01","90","","1638.2","0.5","296.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.053","","","","0.1336","","","","","","1.198","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506220","7.3419","0.0007","24.75","0.002","7.8224","0.0007","90","","107","0.002","90","","1359.3","0.2","100","2","293","2","","","","","","","synthetic","3","P 1 21/a 1","-P 2yab","14","","pyran-2-one annulated tetrahelicene RI-2","","- C21 H12 O2 -","- C21 H12 O2 -","- C84 H48 O8 -","4","1","","Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy; Sengupta, Sanchita; Baidya, Mahiuddin","Facile synthesis, fluorescence, and photochromism of novel helical pyrones and chromenes.","Organic letters","2006","8","21","4891","4894","10.1021/ol0619260","","","0.71073","MoKα","","0.0815","0.057","","","0.1235","0.1634","","","","","","1.151","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506227","9.736","0.005","15.884","0.005","11.886","0.005","90","0.005","97.432","0.005","90","0.005","1822.7","1.3","291","2","291","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 N2 O2 S -","- C20 N2 O2 S -","- C80 N8 O8 S4 -","4","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.186","0.0935","","","0.1672","0.2252","","","","","","0.989","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506233","6.193","0.005","17.433","0.005","14.493","0.005","90","0.005","99.693","0.005","90","0.005","1542.4","1.4","291","2","291","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.1797","0.0961","","","0.2076","0.1727","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506281","15.461","0.001","5.7223","0.0003","17.076","0.001","90","","96.684","0.002","90","","1500.49","0.15","193.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H6 F6 S3 -","- C15.83 H6 F6 S2.69 -","- C63.32 H24 F24 S10.76 -","4","1","","Ie, Yutaka; Umemoto, Yoshikazu; Kaneda, Takahiro; Aso, Yoshio","Electronegative oligothiophenes based on a hexafluorocyclopentene-annelated thiophene unit.","Organic letters","2006","8","23","5381","5384","10.1021/ol062238j","","","0.7107","MoKα","","","0.047","","","","0.117","","","","","","1.031","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506393","7.565","0.012","26.64","0.04","12","0.03","90","","102.64","0.06","90","","2360","8","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H11 I N5 Ni S4 -","- C20 H11 I N5 Ni S4 -","- C80 H44 I4 N20 Ni4 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Fujita, W.; Awaga, K.","Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-iodobenzyl)pyridinium][Ni(mnt)2].","The journal of physical chemistry. B","2005","109","35","16610","16615","10.1021/jp051995g","","","0.71073","MoKα","","0.0631","0.0469","","","0.1142","0.1203","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506415","9.2709","0.0009","32.431","0.003","11.698","0.002","90","","110.714","0.007","90","","3289.8","0.7","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","","","- C36 H51 N7 -","- C36 H51 N7 -","- C144 H204 N28 -","4","1","","Moore, Evan G.; Bernhardt, Paul V.; Fürstenberg, Alexandre; Riley, Mark J.; Vauthey, Eric","Intra- vs intermolecular photoinduced electron transfer reactions of a macrocyclic donor-acceptor dyad.","The journal of physical chemistry. A","2005","109","51","11715","11723","10.1021/jp0547414","","x-ray","0.71073","MoKα","","0.4912","0.0618","","","0.0872","0.1884","","","","","","0.891","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506475","16.92","0.001","6.444","0.001","11.27","0.001","90","","92.45","0.01","90","","1227.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H12 Br2 O2 -","- C13 H12 Br2 O2 -","- C52 H48 Br8 O8 -","4","1","","Pelphrey, Phillip; Jasinski, Jerry; Butcher, Ray J.; Wright, Dennis L.","Oxabicyclo[3.2.1]octane derivatives as highly reactive dienophiles: synthesis of bicyclo[5.n.0] systems.","Organic letters","2005","7","3","423","425","10.1021/ol047725i","","","0.71073","MoKα","","0.062","0.0596","","","0.1672","0.17","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506605","14.1517","0.0004","11.8995","0.0003","24.3178","0.0005","90","","92.786","0.001","90","","4090.23","0.18","140","1","140","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C57 H38 N4 Zn -","- C57.1 H30.25 N4 Zn -","- C228.4 H121 N16 Zn4 -","4","1","","Cammidge, Andrew N.; Scaife, Peter J.; Berber, Gûlen; Hughes, David L.","Cofacial porphyrin-ferrocene dyads and a new class of conjugated porphyrin.","Organic letters","2005","7","16","3413","3416","10.1021/ol050962g","","x-ray","0.71073","MoKα","","0.0574","0.0418","","","0.1052","0.1157","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506676","13.38","0.05","6.27","0.09","13.7","0","90","","107.3","0.5","90","","1097","17","100","","100","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","4,4,7-trimethyl-6-oxaspiro[4.5]dec-2-en-1-one","","- C13 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","1","","Prandi, Cristina; Deagostino, Annamaria; Venturello, Paolo; Occhiato, Ernesto G.","Stereoselective synthesis of spirocyclic ketones by Nazarov reaction.","Organic letters","2005","7","20","4345","4348","10.1021/ol051464a","","x-ray","0.71073","MoKα","","0.0965","0.0638","","","0.1319","0.1517","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506769","12.632","0.008","7.864","0.004","14.964","0.01","90","","101.258","0.007","90","","1457.9","1.5","173","2","173","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H8 Se4 -","- C16 H8 Se4 -","- C64 H32 Se16 -","4","1","","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","","0.0521","0.051","","","0.1309","0.132","","","","","","1.085","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506839","18.849","0.004","5.5418","0.0007","22.618","0.003","90","","96.956","0.013","90","","2345.2","0.7","221","","221","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H24 F9 N O S -","- C22 H24 F9 N O S -","- C88 H96 F36 N4 O4 S4 -","4","1","","Smith, Jeremy A.; DiStasio, Robert A.; Hannah, Nicole A.; Winter, Rolf W.; Weakley, Timothy J. R.; Gard, Gary L.; Rananavare, Shankar B.","SF5-Terminated Fluorinated Schiff Base Liquid Crystals","The Journal of Physical Chemistry B","2004","108","52","19940","","10.1021/jp047732o","","","0.71073","MoKα","","0.083","0.054","","0.111","","0.053","","","1.42","","","1.64","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506854","12.947","0.002","7.04","0.001","9.542","0.002","90","","94.4","0.01","90","","867.2","0.3","298","1","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H24 N2 -","- C22 H24 N2 -","- C44 H48 N4 -","2","0.5","","Nishiumi, Toyohiko; Chimoto, Yuya; Hagiwara, Yuki; Higuchi, Masayoshi; Yamamoto, Kimihisa","First Redox Polymer Bearing One-Step Successive Two-Electron-Transfer Process Based on Redox Potential Inversion","Macromolecules","2004","37","7","2661","","10.1021/ma035370x","","","0.71073","MoKα","","","0.043","","","","0.126","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506934","16.09","0.007","10.544","0.004","17.881","0.007","90","0.0015","104.605","0.0017","90","0.0015","2936","2","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H26 Cl2 O8 -","- C36 H26 Cl2 O8 -","- C144 H104 Cl8 O32 -","4","1","","Saitoh, Terunobu; Yoshida, Suguru; Ichikawa, Junji","1,8-bis(diphenylmethylium)naphthalenediyl dication as an organic oxidant: synthesis of benzidines via self-coupling of N,N-dialkylanilines.","Organic letters","2004","6","24","4563","4565","10.1021/ol048058w","","","0.7107","MoKα","","0.0593","0.0527","","","0.142","0.1467","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506966","11.847","0.008","8.94","0.007","19.015","0.006","90","","93.27","0.04","90","","2011","2","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 Br Cl O4 -","- C20 H20 Br Cl O4 -","- C80 H80 Br4 Cl4 O16 -","4","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Shibata, Ikuya; Baba, Akio","In- or in(I)-employed diastereoselective Reformatsky-type reactions with ketones: 1H NMR investigations on the active species.","Organic letters","2004","6","24","4475","4478","10.1021/ol0482846","","","0.7107","MoKα","","","0.0589","","","","0.1297","","","","","","1.661","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507234","21.2475","0.0015","8.9428","0.0004","25.4798","0.0018","90","","111.589","0.003","90","","4501.8","0.5","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C45 H64 I2 N2 Ni O5 -","- C45 H63.068 I2 N2 Ni O5 -","- C180 H252.272 I8 N8 Ni4 O20 -","4","1","","Leung, Alfred C. W.; Chong, Jonathan H.; Patrick, Brian O.; MacLachlan, Mark J.","Poly(salphenyleneethynylene)s: A New Class of Soluble, Conjugated, Metal-Containing Polymers","Macromolecules","2003","36","14","5051","","10.1021/ma034229l","","","0.71069","MoKα","","0.0753","0.0377","","","0.0725","0.0807","","","","","","0.876","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507235","12.679","0.009","10.317","0.006","14.49","0.01","90","","110.65","0.04","90","","1774","2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H21 Cl3 N2 Ti -","- C14 H21 Cl3 N2 Ti -","- C56 H84 Cl12 N8 Ti4 -","4","1","","Liguori, Dario; Centore, Roberto; Tuzi, Angela; Grisi, Fabia; Sessa, Irene; Zambelli, Adolfo","Titanium Monoamidinate−MAO Catalysts: Some Information about Active Species and Stereochemical Polymerization Mechanisms","Macromolecules","2003","36","15","5451","","10.1021/ma034249n","","x-ray","0.71069","Mokα","","0.0775","0.0391","","","0.084","0.0965","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507244","16.25","0.004","15.629","0.008","14.067","0.005","90","0.03","109.01","0.03","90","0.03","3378","2","294","2","294","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","[(rac 2,2'-bis[2-(1-ethyl benzimidazol-2-yl)]biphenyl)copper(II) dichloride] 1,2-dichlorobenzene","","- C36 H30 Cl4 Cu N4 -","- C36 H30 Cl4 Cu N4 -","- C144 H120 Cl16 Cu4 N16 -","4","1","","Stibrany, Robert T.; Schulz, Donald N.; Kacker, Smita; Patil, Abhimanyu O.; Baugh, Lisa S.; Rucker, Steven P.; Zushma, Stephen; Berluche, Enock; Sissano, Joseph A.","Polymerization and Copolymerization of Olefins and Acrylates by Bis(benzimidazole) Copper Catalysts","Macromolecules","2003","36","23","8584","","10.1021/ma034548c","","","0.71073","MoKα","","0.1588","0.0571","","","0.1146","0.1279","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507349","7.77","0.0002","20.7979","0.0007","8.2851","0.0002","90","","96.5442","0.0019","90","","1330.15","0.07","200","1","200","1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","","Wang, Yong; Schill, Brenden D.; Arif, Atta M.; West, F. G.","Formal intermolecular 4 + 4 approach to cyclooctanoids: 4 + 3 capture of the Nazarov oxyallyl intermediate with simple 1,3-dienes.","Organic letters","2003","5","15","2747","2750","10.1021/ol034985b","","","0.71073","MoKα","","0.0555","0.0438","","","0.1102","0.1182","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507436","10.83","0.05","10.22","0.02","15.06","0.06","90","","90.32","0.015","90","","1667","11","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C84 H88 O8 -","4","1","","Clayden, Jonathan; Kenworthy, Martin N.","Dearomatizing Annelation of Five-Membered Rings to Naphthalenes by Organolithium Cyclization","Organic Letters","2002","4","5","787","","10.1021/ol0172626","","","0.71069","MoKα","","0.0677","0.0434","","","0.1143","0.1272","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507498","18.581","0.0008","7.4811","0.0005","22.069","0.001","90","","96.821","0.001","90","","3046","0.3","205","","205","","","","","","","","Local laboratory","4","P 1 21/a 1","-P 2yab","14","","","","- C34 H28 I2 O3 -","- C35 H28 I2 O2 -","- C140 H112 I8 O8 -","4","1","","Höger, Sigurd; Rosselli, Silvia; Ramminger, Anne-Désirée; Enkelmann, Volker","A facile synthesis of large extraannular-functionalized phenyl-ethynyl macrocycles containing m-terphenyl units.","Organic letters","2002","4","24","4269","4272","10.1021/ol026870y","","","0.71073","MoKα","","","0.0566","","","","0.0523","","","","","","0.8488","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507545","14.1","0.006","11.223","0.005","11.773","0.005","90","","93.343","0.008","90","","1859.8","1.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H22 N2 O6 S -","- C16 H22 N2 O6 S -","- C64 H88 N8 O24 S4 -","4","1","","Hof, Fraser; Iovine, Peter M.; Johnson, Darren W.; Rebek, Julius","Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides","Organic Letters","2001","3","26","4247","","10.1021/ol0169731","","","0.71073","MoKα","","0.0636","0.0594","","","0.1696","0.1761","","","","","","1.06","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507600","8.7602","0.0013","19.148","0.003","10.7909","0.0016","90","","110.824","0.011","90","","1691.8","0.5","150","1","150","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H23 N O3 S -","- C17 H23 N O3 S -","- C68 H92 N4 O12 S4 -","4","1","","Kumar, Puneet; Louie, Janis","A Single Step Approach to Piperidines via Ni-Catalyzed β-Carbon Elimination.","Organic letters","2012","14","8","2026","2029","10.1021/ol300534j","","","0.71073","MoKα","","0.1173","0.0629","","","0.1321","0.1638","","","","","","1.116","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507636","6.055","0.006","7.542","0.008","21.6","0.02","90","","95.65","0.02","90","","981.6","1.7","103","","103","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H18 S2 -","- C28 H18 S2 -","- C56 H36 S4 -","2","0.5","","Yamaguchi, Yuji; Maruya, Yukihiro; Katagiri, Hiroshi; Nakayama, Ken-Ichi; Ohba, Yoshihiro","Synthesis, Properties, and OFET Characteristics of 5,5'-Di(2-azulenyl)-2,2'-bithiophene (DAzBT) and 2,5-Di(2-azulenyl)-thieno[3,2-b]thiophene (DAzTT).","Organic letters","2012","14","9","2316","2319","10.1021/ol3007327","","","0.71075","MoKα","","0.1223","0.0849","","","0.2043","0.2321","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507707","7.427","0.005","14.544","0.01","12.017","0.008","90","","97.754","0.008","90","","1286.2","1.5","100.15","","100.15","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","N,N'-dimethyl-bis(dithienopyrrolo)thiophene","","","- C14 H10 N2 S3 -","- C14 H10 N2 S3 -","- C56 H40 N8 S12 -","4","1","","Mitsudo, Koichi; Shimohara, Shuichi; Mizoguchi, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis of nitrogen-bridged terthiophenes by tandem buchwald-hartwig coupling and their properties.","Organic letters","2012","14","11","2702","2705","10.1021/ol300887t","","","0.71075","MoKα","","0.1605","0.1301","","","0.3011","0.3179","","","","","","1.088","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507950","14.09","0.003","18.71","0.004","15.558","0.004","90","","101.48","0.03","90","","4019.4","1.6","240","2","240","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","Gandelman-93 (Yuri)","","","- C36 H32 Cl4 F6 N3 O P3 Rh -","- C36 H32 Cl4 F6 N3 O P3 Rh -","- C144 H128 Cl16 F24 N12 O4 P12 Rh4 -","4","1","","Tulchinsky, Yuri; Iron, Mark A.; Botoshansky, Mark; Gandelman, Mark","Nitrenium ions as ligands for transition metals.","Nature chemistry","2011","3","7","525","531","10.1038/nchem.1068","","","0.71073","MoKα","","0.0824","0.0467","","","0.1227","0.1355","","","","","","0.945","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508541","10.0062","0.001","11.1917","0.0009","16.797","0.0015","90","","102.784","0.004","90","","1834.4","0.3","130","2","130","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","HOArCH2pyCH3","HOArCH2pyCH3","","- C21 H29 N O -","- C21 H29 N O -","- C84 H116 N4 O4 -","4","1","","Markle, Todd F.; Tronic, Tristan A.; Dipasquale, Antonio G.; Kaminsky, Werner; Mayer, James M.","Effect of basic site substituents on concerted proton-electron transfer in hydrogen-bonded pyridyl-phenols.","The journal of physical chemistry. A","2012","116","50","12249","12259","10.1021/jp311388n","","","0.71073","MoKα","","0.1114","0.0624","","","0.1416","0.1693","","","","","","1.02","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508944","11.3553","0.0006","7.1744","0.0005","11.5613","0.0008","90","","119.414","0.003","90","","820.46","0.09","120","","120","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C44 H36 O8 -","2","0.5","","Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus","Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10.","Organic letters","2013","15","4","804","807","10.1021/ol303476g","","","0.71073","MoKα","","0.0721","0.0507","","0.0604","0.0593","0.0593","","","","","","1.0725","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508965","16.0215","0.0015","5.7478","0.0003","19.227","0.006","90","","96.725","0.017","90","","1758.4","0.6","112","19","112","19","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H19 Br N2 O3 S -","- C17 H19 Br N2 O3 S -","- C68 H76 Br4 N8 O12 S4 -","4","1","","Gu, Peiming; Sun, Jian; Kang, Xiao-Yan; Yi, Ming; Li, Xue-Qiang; Xue, Ping; Li, Rui","A Formal Metal-Free N-Arylation via the Schmidt Reaction of Aromatic Aldehydes with an Azido Amine.","Organic letters","2013","15","5","1124","1127","10.1021/ol400213f","","","0.7107","MoKα","","0.0437","0.0352","","","0.0778","0.0828","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509135","13.2994","0.0018","10.3952","0.0016","14.194","0.002","90","","105.149","0.017","90","","1894.13","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C28 H38 -","- C28 H38 -","- C112 H152 -","4","1","","Schreiner, Peter R.; Chernish, Lesya V.; Gunchenko, Pavel A.; Tikhonchuk, Evgeniya Yu.; Hausmann, Heike; Serafin, Michael; Schlecht, Sabine; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Fokin, Andrey A.","Overcoming lability of extremely long alkane carbon-carbon bonds through dispersion forces.","Nature","2011","477","7364","308","311","10.1038/nature10367","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509419","13.953","","4.955","","8.22","","90","","97.76","","90","","563.103","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K Ag (N O3)2","","- Ag K N2 O6 -","- Ag K N2 O6 -","- Ag4 K4 N8 O24 -","4","1","","Zobetz, E.","Die Kristallstruktur der isotypen Verbindungen K Ag (N O3)2, (N H4) Ag (N O3)2 und Rb Ag (N O3)2","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1980","111","","1253","1263","10.1007/BF00903652","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509423","7.49","","13.175","","6.037","","90","","94.32","","90","","594.043","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ag K (P O3)2","","- Ag K O6 P2 -","- Ag K O6 P2 -","- Ag4 K4 O24 P8 -","4","1","","Averbuch-Pouchot, M.T.","Structural investigation of a new series of long-chain polyphosphates. Crystal structure of Ag K (P O3)2 and crystal data for Ag M (P O3)2 with M= K, Rb, Cs and Tl","Journal of Solid State Chemistry","1993","102","","93","99","10.1006/jssc.1993.1010","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509472","14.195","","5.039","","8.304","","90","","96.99","","90","","589.559","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Rb Ag (N O3)2","","- Ag N2 O6 Rb -","- Ag N2 O6 Rb -","- Ag4 N8 O24 Rb4 -","4","1","","Zobetz, E.","Die Kristallstruktur der isotypen Verbindungen K Ag (N O3)2, (N H4) Ag (N O3)2 und Rb Ag (N O3)2","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1980","111","","1253","1263","10.1007/BF00903652","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509697","7.004","","10.547","","4.917","","90","","91.44","","90","","363.11","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Ag2 (Te O3)","","- Ag2 O3 Te -","- Ag2 O3 Te -","- Ag8 O12 Te4 -","4","1","","Masse, R.; Trodjman, I.; Guitel, J.C.","Preparation chimique et structure cristalline des tellurites de sodium et d'argent: Na2 Te O3, Ag2 Te O3","Materials Research Bulletin","1980","15","","431","436","10.1016/0025-5408(80)90048-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509744","23.857","","5.2999","","6.5659","","90","","93.95","","90","","828.218","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ag2.76 (Mo O3)12 (P O2)4","","- Ag2.76 Mo12 O44 P4 -","- Ag2.76 Mo12 O44 P4 -","- Ag2.76 Mo12 O44 P4 -","1","0.25","","Ledain, S.; Leclaire, A.; Provost, J.; Borel, M.M.; Raveau, B.","A monophosphate molybdenum bronze built up from Re O3-type slabs: Ag(0.7) Mo3 O7 (P O4)","Journal of Solid State Chemistry","1998","140","","128","133","10.1006/jssc.1998.7874","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510187","15.117","","4.339","","7.1","","90","","121.5","","90","","397.081","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Li (Au I4)","","- Au I4 Li -","- Au I4 Li -","- Au2 I8 Li2 -","2","0.5","","Abram, U.; Straehle, J.; Schulz Lang, E.","Synthese, Eigenschaften und Struktur von Li Au I4 und K Au I4 mit einer Diskussion der kristallchemischen Verwandtschaft zwischen den Halogenauraten Rb Au Cl4, Ag Au Cl4, Rb Au Br4 und LiAuI4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","1791","1795","10.1002/zaac.19976231122","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510399","9.7","","9.222","","10.81","","90","","94.43","","90","","964.102","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Au2 (S O3 F)6","","- Au2 F6 O18 S6 -","- Au2 F6 O18 S6 -","- Au4 F12 O36 S12 -","2","0.5","","Aubke, F.; Willner, H.; Rettig, S.J.; Trotter, J.","The crystal and molecular structure of gold tris(fluorosulfate)","Canadian Journal of Chemistry","1991","69","","391","396","10.1139/v91-060","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510799","11.85","","5.35","","7.71","","90","","92.6","","90","","488.292","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Sr2 (B2 O5)","","- B2 O5 Sr2 -","- B2 O5 Sr2 -","- B8 O20 Sr8 -","4","1","","Bartl, H.; Schuckmann, W.","Zur Struktur des Strontium-Pyroborates Sr2 B2 O5","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","1966","1966","","253","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511173","10.048","","7.61","","4.964","","90","","91.98","","90","","379.347","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Nd (B Ge O5)","","- B Ge Nd O5 -","- B Ge Nd O5 -","- B4 Ge4 Nd4 O20 -","4","1","","Kaminskii, A.A.; Mill', B.V.; Belokoneva, E.L.; Butashin, A.V.","Polymorphism of Ln B Ge O5 compounds","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1700","1707","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511886","12.1557","0.0005","11.7061","0.0003","12.5509","0.0004","90","","111.094","0.0015","90","","1666.27","0.1","103","2","103","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","11a,12-Dihydro-5b-methyl-5a,12a-epoxy-11H-dibenzo[b,h]fluorene-5,6,11,13(5bH)-tetrone","11a,12-Dihydro-5b-methyl-5a,12a-epoxy-11H-dibenzo[b,h]fluorene-5,6,11,13(5bH)-tetrone","","- C22 H14 O5 -","- C22 H14 O5 -","- C88 H56 O20 -","4","1","","Maruo, Sayako; Nishio, Kazuyuki; Sasamori, Takahiro; Tokitoh, Norihiro; Kuramochi, Kouji; Tsubaki, Kazunori","Biomimetic Synthesis of Zeylanone and Zeylanone Epoxide by Dimerization of 2-Methyl-1,4-naphthoquinone","Organic Letters","2013","15","7","1556","","10.1021/ol400335s","","","0.7107","MoKα","","0.0458","0.032","","","0.0792","0.0842","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512041","8.2495","0.0001","22.3491","0.0003","13.1812","0.0002","90","","100.218","0.0007","90","","2391.66","0.06","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H7 I N2 O -","- C6 H7 I N2 O -","- C72 H84 I12 N24 O12 -","12","3","","Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C.","Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems.","Organic letters","2013","15","11","2616","2619","10.1021/ol4007986","","","0.71073","MoKα","","0.0319","0.0252","","0.0619","0.0601","0.0619","","","","","","0.9769","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512212","14.603","0.0007","19.3678","0.0005","7.3303","0.0004","90","","127.998","0.008","90","","1633.8","0.2","110","0.1","110","0.1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Schröder, Sybrin P; Taylor, Nicholas J.; Jackson, Paula; Franckevičius, Vilius","Catalytic decarboxylative alkenylation of enolates.","Organic letters","2013","15","14","3778","3781","10.1021/ol401729m","","","0.7107","MoKα","","0.0518","0.0425","","","0.0967","0.1026","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512416","10.1967","0.0007","11.9793","0.0009","16.1904","0.0011","90","","90.853","0.003","90","","1977.4","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H24 Fe O4 -","- C24 H24 Fe O4 -","- C96 H96 Fe4 O16 -","4","1","","Salvador Celedona; Mauricio Fuentealbab; Thierry Roisnelc; Jean-Rene Hamonc; David Carrilloa; Carolina Manzura","Stepwise construction of a 4-hydroxyphenyl functionalized O,N,N-tridentate ferrocene-containing enaminone: Spectral, analytical and structural studies","Inorganica Chimica Acta","2012","390","","184","189","10.1016/j.ica.2012.04.028","","x-ray","0.71073","MoKα","","0.0952","0.0771","","","0.2294","0.2425","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512608","12.107","0.005","7.056","0.003","26.797","0.012","90","","94.771","0.004","90","","2281.3","1.7","153","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H30 N2 O4 Pt -","- C24 H21 N2 O4 Pt -","- C96 H84 N8 O16 Pt4 -","4","1","","Yuriko Abe; Yuko Takagi; Miyuki Nakamura; Tomoaki Tanase; Miho Yokokawa; Hidetomo Mukai; Kazuchika Ohta","Structural, Photophysical, and Mesomorphic Properties of Luminescent Platinum(II)-Salen Schiff Base Complexes","Inorganica Chimica Acta","2012","392","","254","260","10.1016/j.ica.2012.02.041","","","0.7107","MoKα","","","0.0731","","","","0.2286","","","","","","1.11","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512711","14.5527","0.0018","14.5492","0.0016","15.2941","0.0019","90","","118.38","0.0012","90","","2849","0.6","113.1","","113.1","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C27 H31 F6 N4 O3 P Ru -","- C27 H30 F6 N4 O3 P Ru -","- C108 H120 F24 N16 O12 P4 Ru4 -","4","1","","Luc J. Boudreau; Terri L. Clarke; Adrian H. Murray; Katherine N. Robertson; T. Stanley Cameron; Manuel A.S. Aquino","Sterically-directed disassembly of diruthenium(II,III) tetraacetate using substituted and unsubstituted 2,2'-bipyridines and 1,10-phenanthrolines","Inorganica Chimica Acta","2012","393","","152","158","","","","0.7107","MoKα","","","0.0605","","","","0.0666","","","","","","1.023","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512868","8.795","0.0001","20.8201","0.0004","10.9669","0.0002","90","","99.156","0.001","90","","1982.59","0.06","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C42 H56 N2 O8 U -","- C42 H56 N2 O8 U -","- C84 H112 N4 O16 U2 -","2","0.5","","Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää","Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2006","25","5","1223","1232","10.1016/j.poly.2005.08.044","","x-ray","0.71073","MoKα","","0.0654","0.0312","","","0.0602","0.0675","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513161","11.62","0.008","8.989","0.008","15.81","0.008","90","","96.74","0.01","90","","1640","2","292","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H25 N3 O2 -","- C17 H25 N3 O2 -","- C68 H100 N12 O8 -","4","1","","Mercalli, Valentina; Meneghetti, Fiorella; Tron, Gian Cesare","Isocyanide-Mediated Multicomponent Synthesis of C-Oximinoamidines","Organic Letters","2013","15","22","5902","","10.1021/ol403062m","","","0.71073","MoKα","","0.1171","0.078","","","0.1916","0.2178","","","","","","0.988","","","","has coordinates,has disorder","201210","2020-10-21","18:00:00",""
"1513264","8.6007","0.0014","7.8074","0.0011","21.612","0.004","90","","100.929","0.008","90","","1424.9","0.4","150","2","150","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Olive, Alexandre G. L.; Raffy, Guillaume; Allouchi, Hassan; Léger, Jean-Michel; Del Guerzo, André; Desvergne, Jean-Pierre","Striking Correlation between the Unusual Trigonal Crystal Packing and the Ability to Self-Assemble into Nanofibers of 2,3-Di-n-alkyloxyanthracenes†","Langmuir","2009","25","15","8606","8614","10.1021/la804206n","","","0.71073","MoKα","","0.205","0.0826","","","0.1572","0.2055","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513266","8.5062","0.0003","7.964","0.0003","24.0314","0.001","90","","91.547","0.002","90","","1627.37","0.11","160","2","160","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Olive, Alexandre G. L.; Raffy, Guillaume; Allouchi, Hassan; Léger, Jean-Michel; Del Guerzo, André; Desvergne, Jean-Pierre","Striking Correlation between the Unusual Trigonal Crystal Packing and the Ability to Self-Assemble into Nanofibers of 2,3-Di-n-alkyloxyanthracenes†","Langmuir","2009","25","15","8606","8614","10.1021/la804206n","","","0.71073","MoKα","","0.0854","0.0445","","","0.0952","0.1104","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514183","10.1307","0.0009","9.1486","0.001","10.6002","0.0011","90","","106.526","0.009","90","","941.86","0.17","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 Al K O5 Si2 -","- C6 Al K0.99 O5 Si2 -","- C24 Al4 K3.96 O20 Si8 -","4","1","","Bellettato, Michela; Bonoldi, Lucia; Cruciani, Giuseppe; Flego, Cristina; Guidetti, Stefania; Millini, Roberto; Montanari, Erica; Parker, Wallace O’Neil; Zanardi, Stefano","Flexible Structure of a Thermally Stable Hybrid Aluminosilicate Built with Only the Three-Ring Unit","The Journal of Physical Chemistry C","2014","118","14","7458","","10.1021/jp5005133","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514184","10.831","0.0003","10.4782","0.0004","10.6059","0.0004","90","","109.924","0.002","90","","1131.61","0.07","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 Al K0.883 O7.255 Si2 -","- C6 Al K0.89 O7.26 Si2 -","- C24 Al4 K3.56 O29.04 Si8 -","4","1","","Bellettato, Michela; Bonoldi, Lucia; Cruciani, Giuseppe; Flego, Cristina; Guidetti, Stefania; Millini, Roberto; Montanari, Erica; Parker, Wallace O’Neil; Zanardi, Stefano","Flexible Structure of a Thermally Stable Hybrid Aluminosilicate Built with Only the Three-Ring Unit","The Journal of Physical Chemistry C","2014","118","14","7458","","10.1021/jp5005133","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514185","14.493","0.002","6.0834","0.001","15.009","0.003","90","","107.679","0.004","90","","1260.8","0.4","103","2","103","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C15 H12 B F2 N O -","- C15 H12 B F2 N O -","- C60 H48 B4 F8 N4 O4 -","4","1","","Yoshii, Ryousuke; Tanaka, Kazuo; Chujo, Yoshiki","Conjugated Polymers Based on Tautomeric Units: Regulation of Main-Chain Conjugation and Expression of Aggregation Induced Emission Property via Boron-Complexation","Macromolecules","2014","47","7","2268","","10.1021/ma500082e","","","0.71075","MoKα","","0.0598","0.0449","","","0.1316","0.1817","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514283","8.5103","0.0008","30.003","0.002","9.119","0.0008","90","","112.41","0.01","90","","2152.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C32 H21 N O -","- C32 H21 N O -","- C128 H84 N4 O4 -","4","1","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.1255","0.0423","","","0.0599","0.0715","","","","","","0.714","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514732","15.1354","0.0004","9.24","0.0003","20.128","0.0006","90","","101.781","0.002","90","","2755.63","0.14","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C30 H42 N2 Si -","- C30 H42 N2 Si -","- C120 H168 N8 Si4 -","4","1","","Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.","Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis","Chemical Science","2013","4","11","4212","","10.1039/c3sc51797g","","","0.71073","MoKα","","0.0757","0.0578","","","0.1372","0.1484","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514859","6.76","0.01","12.76","0.03","18.06","0.03","90","","92.31","0.04","90","","1557","5","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H16 N10 O7 Pt2 -","- C2 H16 N10 O7 Pt2 -","- C8 H64 N40 O28 Pt8 -","4","1","","Komeda, Seiji; Takayama, Hiroshi; Suzuki, Toshihiro; Odani, Akira; Yamori, Takao; Chikuma, Masahiko","Synthesis of antitumor azolato-bridged dinuclear platinum(ii) complexes with in vivo antitumor efficacy and unique in vitro cytotoxicity profiles.","Metallomics : integrated biometal science","2013","5","5","461","468","10.1039/c3mt00040k","","","0.7107","MoKα","","0.0466","0.0418","","","0.1215","0.1247","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515156","5.9382","0.0003","22.9614","0.0017","6.718","0.0004","90","","91.539","0.005","90","","915.66","0.1","200","","200","","","","","","","","local","3","P 1 21/a 1","-P 2yab","14","","","","- C24 H14 O6 -","- C24 H14 O6 -","- C48 H28 O12 -","2","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.098","0.0566","","0.1468","0.1277","0.1468","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515236","7.9976","0.001","30.448","0.004","13.5205","0.0018","90","","96.2528","0.0005","90","","3272.8","0.7","123","2","123","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","dibenzoborole","dibenzoborole","","- C21 H19 B -","- C21 H19 B -","- C168 H152 B8 -","8","2","","Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro","Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton?","Chemical Science","2012","3","5","1461","","10.1039/c2sc20100c","","","0.7107","MoKα","","0.0528","0.0484","","","0.1143","0.1182","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515272","29.5322","0.0005","10.3705","0.0002","41.5808","0.0008","90","","99.1602","0.0008","90","","12572.3","0.4","93","2","93","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C74.5 H22.25 Cl3.25 F24 N5 O P -","- C74.5 H22.25 Cl3.25 F24 N5 O P -","- C596 H178 Cl26 F192 N40 O8 P8 -","8","2","","Higashino, Tomohiro; Osuka, Atsuhiro","Phosphorus complexes of a triply-fused [24]pentaphyrin","Chemical Science","2012","3","1","103","","10.1039/c1sc00653c","","","1.54187","CuKα","","0.1505","0.0993","","","0.2551","0.2961","","","","","","0.988","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515330","11.339","","30.546","","13.56","","90","","100.98","","90","","4610.68","","213","2","213","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C46 H61 B F2 N4 O11 -","- C46 H61 B F2 N4 O11 -","- C184 H244 B4 F8 N16 O44 -","4","1","","Batat, Pinar; Vives, Guillaume; Bofinger, Robin; Chang, Ren-Wei; Kauffmann, Brice; Oda, Reiko; Jonusauskas, Gediminas; McClenaghan, Nathan D.","Dynamics of ion-regulated photoinduced electron transfer in BODIPY-BAPTA conjugates","Photochemical & Photobiological Sciences","2012","11","11","1666","","10.1039/c2pp25130b","","","1.54178","CuKα","","0.2002","0.1351","","","0.3753","0.4437","","","","","","1.526","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515486","5.8745","0.0003","7.4316","0.0005","7.9227","0.0005","90","","92.414","0.004","90","","345.57","0.04","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C2 H3 Mn O3 -","- C2 H3 Mn O3 -","- C8 H12 Mn4 O12 -","4","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","","0.71073","MoKα","","0.0434","0.0302","","","0.0669","0.0707","","","","","","1.197","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515487","8.1023","0.0002","9.3777","0.0003","12.5161","0.0004","90","","103.948","0.002","90","","922.95","0.05","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C6 H10 Mn2 O6 -","- C6 H10 Mn2 O6 -","- C24 H40 Mn8 O24 -","4","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","x-ray","0.71073","MoKα","","0.0367","0.0337","","","0.073","0.0755","","","","","","1.185","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515488","8.1123","0.001","9.3629","0.0011","13.462","0.0018","90","","94.88","0.007","90","","1018.8","0.2","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H12 Mn2 O6 -","- C7 H12 Mn2 O6 -","- C28 H48 Mn8 O24 -","4","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","x-ray","0.71073","MoKα","","0.0992","0.0915","","","0.2423","0.252","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515690","13.742","0.001","20.974","0.002","14.377","0.002","90","","99.419","0.003","90","","4087.9","0.8","173.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C49 H43 B F4 P2 Pt -","- C49 H27 B F4 P2 Pt -","- C196 H108 B4 F16 P8 Pt4 -","4","1","","Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo","Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl","Chemical Science","2011","2","1","117","","10.1039/c0sc00269k","","","0.7107","MoKα","","","0.0767","","","","0.2191","","","","","","1.288","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515743","11.8","0.03","6.73","0.01","16.57","0.05","90","","105.29","0.07","90","","1269","5","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Maeda, Hajime; Chiyonobu, Kazuhiko; Mizuno, Kazuhiko","Hydrogen-bonding directed, regioselective photocycloaddition reactions of cyanonaphthalenes with furanmethanols.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1445","1449","10.1039/c1pp05060e","","","0.7107","MoKα","","","0.081","","","","0.077","","","","","","0.991","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516384","15.77423","0.00027","8.07596","0.00008","5.00886","0.00008","90","","111.009","0.0012","90","","595.671","0.016","296","1","296","1","101.325","","101.325","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C5 H6 N2 O4 -","- C5 H6 N2 O4 -","- C20 H24 N8 O16 -","4","1","","Guidoni, Leonardo; Gontrani, Lorenzo; Bencivenni, Luigi; Sadun, Claudia; Ballirano, Paolo","Overcoming the inadequacy of X-ray powder diffraction in reliable hydrogen location with the aid of first principles calculations: crystal structure determination of orotaldehyde monohydrate.","The journal of physical chemistry. A","2009","113","1","353","359","10.1021/jp809076t","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.04826","0.0357","2.4","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516478","12.4111","0.0004","11.2306","0.0004","12.7572","0.0004","90","","98.363","0.003","90","","1759.24","0.1","180","2","180","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H16 Br N O4 S -","- C17 H16 Br N O4 S -","- C68 H64 Br4 N4 O16 S4 -","4","1","","Medina, Florian; Besnard, Céline; Lacour, Jérôme","One-Step Synthesis of Nitrogen-Containing Medium-Sized Rings via α-Imino Diazo Intermediates.","Organic letters","2014","16","12","3232","3235","10.1021/ol5012532","","","0.7107","MoKα","","0.0416","0.0329","","","0.0715","0.0765","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516898","9.3079","0.0005","26.2435","0.0011","9.7687","0.0005","90","","116.795","0.008","90","","2130","0.2","173","2","173","2","","","","","","","synthesis as described","8","P 1 21/a 1","-P 2yab","14","","","","- C19 H22 Cl3 Fe N O Pt S -","- C19 H22 Cl3 Fe N O Pt S -","- C76 H88 Cl12 Fe4 N4 O4 Pt4 S4 -","4","1","","Karlheinz Sunkel; Ramona Branzan; Stefan Weigand","2-Pyridylmetallocenes, part IV. Cycloplatination of 2-pyridyl-ferrocene, -ruthenocene and -cymantrene. Molecular structures of sigma-Pt{CpM[C5H3(2-C5H4N)]}Cl (DMSO) (M = Fe, Ru) and sigma-Pt{CpFe[C5H3(2-C5H4N)]}(acac)","Inorganica Chimica Acta","2013","399","","193","199","","","x-ray","0.71069","MoKα","","0.054","0.0375","","","0.0736","0.0772","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517160","21.56","0.004","31.285","0.006","27.132","0.005","90","","97.14","0.03","90","","18159","6","253","2","253","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C42.5 H53.5 Cl3 N4 O0.25 Pd S2 -","- C42.5 H52 Cl3 N4 O0.25 Pd S2 -","- C680 H832 Cl48 N64 O4 Pd16 S32 -","16","4","","Yang, Dan; Chen, Ying-Chun; Zhu, Nian-Yong","Sterically bulky thioureas as air- and moisture-stable ligands for pd-catalyzed Heck reactions of aryl halides.","Organic letters","2004","6","10","1577","1580","10.1021/ol049697+","","","0.71073","MoKα","","0.1884","0.0806","","","0.2247","0.2675","","","","","","0.879","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518199","8.952","0.002","7.218","0.002","11.111","0.003","90","","115.93","0.04","90","","645.7","0.4","","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- F5 H5 N2 Sn2 -","- F5 N2 Sn2 -","- F20 N8 Sn8 -","4","1","","Vilminot, S.; Granier, W.; Wahbi, H.; Cot, L.","Etude structurale de N2H5Sn2F5","Revue de Chimie Minerale","1987","24","","362","367","","","x-ray","0.71069","MoKα","","","0.028","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518331","8.2464","0.0007","12.5278","0.0009","9.1307","0.0007","90","","104.737","0.009","90","","912.26","0.13","291","2","291.15","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C5 H8 Ag Br2 N2 -","- C5 H8 Ag Br2 N2 -","- C20 H32 Ag4 Br8 N8 -","4","1","","Zhang, Wen-Li; Huang, Zhi-Peng; Ma, Cheng-Jie; Zai, Yu-Xia; Yang, Qing; Niu, Yun-Yin","Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the construction of haloclusters supramolecules","Inorganica Chimica Acta","2015","425","","52","60","10.1016/j.ica.2014.09.032","","","1.5418","CuKα","","0.0865","0.0788","","","0.2171","0.2282","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518333","7.049","0.0003","21.8537","0.0009","13.1219","0.0007","90","","93.54","0.004","90","","2017.53","0.16","291","2","291.15","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H20 Ag2 Br4 N4 -","- C12 H20 Ag2 Br4 N4 -","- C48 H80 Ag8 Br16 N16 -","4","1","","Zhang, Wen-Li; Huang, Zhi-Peng; Ma, Cheng-Jie; Zai, Yu-Xia; Yang, Qing; Niu, Yun-Yin","Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the construction of haloclusters supramolecules","Inorganica Chimica Acta","2015","425","","52","60","10.1016/j.ica.2014.09.032","","","0.7107","MoKα","","0.0843","0.0466","","","0.0941","0.1123","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518746","9.998","0.002","15.476","0.003","12.957","0.003","90","","92.64","0.02","90","","2002.7","0.7","","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H33 N5 O2 -","- C19 N5 O2 -","- C76 N20 O8 -","4","1","","Hietapelto, Vesa; Huuskonen, Juhani; Laitinen, Risto S.; Leppa-aho, Jaakko; Pursiainen, Jouni","Preparation, Characterization and Complexation of 4,6-Dimethyl-1,3-bis{methyl[1-(2-hydroxyethyl)piperazyl]}benzene and 2,6-Di{methyl[1-(2-hydroxyethyl)piperazyl]}pyridine","Acta Chemica Scandinavica","1999","53","","194","201","","","x-ray","0.71073","MoKα","","","0.0591","","","0.1079","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519005","9.47","0.002","7.93","0.001","9.865","0.001","90","","115.78","0.01","90","","667.1","0.19","","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ba Ca H2 O8 P2 -","- Ba Ca H2 O8 P2 -","- Ba4 Ca4 H8 O32 P8 -","4","1","","Taher, L. B.; Chabchoub, S.; Smiri-Dogguy, L.","Investigation of mixed alkaline earth phosphates. Synthesis and crystal structure of CaBa(HPO4)2 : A new mixed alkaline earth hydrogenmonophosphate","Solid State Sciences","1999","1","","15","24","","","x-ray","0.71069","MoKα","","","0.0331","","","0.0858","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519083","12.969","0.005","8.3153","0.0009","16.004","0.002","90","","103.36","0.02","90","","1679.2","0.7","","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H12 Cu N2 Na2 O11 -","- C14 Cu N2 Na2 O11 -","- C56 Cu4 N8 Na8 O44 -","4","1","","Sileo, Elsa E.; Rigotti, Graciela; Piro, Oscar E.","Solid-State Coordination Chemistry of Pyridinedicarboxylic Acid Isomers. II. Crystal and Molecular Structure of Sodium Bis(pyridine-2,4-dicarboxylato)cuprate(II) trihydrate.","Acta Chemica Scandinavica","1999","53","","535","541","","","x-ray","0.71069","MoKα","","","0.074","","","0.222","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519140","15.815","0.005","11.848","0.008","16.041","0.005","90","","90.565","0.018","90","","3006","2","220","2","220","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H50 N2 P2 Se2 Zn -","- C22 H50 N2 P2 Se2 Zn -","- C88 H200 N8 P8 Se8 Zn4 -","4","1","","Bochmann, Manfred; Coles, Simon J.; Hursthouse, Michael B.","C22H50N2P2Se2Zn","Crystal Structure Report Archive","1994","","","1195","","","","","0.71069","MoKα","","0.052","0.0407","","","0.0955","0.0972","","","","","","0.964","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519617","9.396","0.002","11.516","0.002","9.933","0.001","90","","97.59","0.01","90","","1065.4","0.3","93.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H8 Cl N O3 -","- C11 H8 Cl N O3 -","- C44 H32 Cl4 N4 O12 -","4","1","","Itoh, Takahito; Tachino, Kyoko; Akira, Naoki; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji","Twofold Helical Polymerization: Thermal Solid-State Polymerization of 7-Cyano-7-(2′-haloethoxycarbonyl)-1,4-benzoquinone Methides","Macromolecules","2015","48","9","2935","","10.1021/ma502606s","","","1.5419","CuKα","","","0.0514","","","","0.133","","","","","","0.722","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519937","11.137","0.002","8.279","0.001","5.5381","0.0009","90","","100.423","0.013","90","","502.2","0.14","296","2","296","2","","","","","","","Blue Lizard mine, San Juan County, Utah, USA","8","P 1 21/a 1","-P 2yab","14","manganoblödite","","manganoblödite","- Co0.14 H8 Mg0.29 Mn0.44 Na1.96 Ni0.06 O12 S2.03 -","- Co0.14 H8 Mg0.29 Mn0.45 Na2 Ni0.06 O12 S2 -","- Co0.28 H16 Mg0.58 Mn0.9 Na4 Ni0.12 O24 S4 -","2","0.5","","Kasatkin, A. V.; Nestola, F.; Plášil, J.; Marty, J.; Belakovskiy, D. I.; Agakhanov, A. A.; Mills, S. J.; Pedron, D.; Lanza, A.; Favaro, M.; Bianchin, S.; Lykova, I. S.; Goliáš, V.; Birch, W. D.","Manganoblödite, Na2Mn(SO4)2·4H2O, and cobaltoblödite, Na2Co(SO4)2·4H2O: two new members of the blödite group from the Blue Lizard mine, San Juan County, Utah, USA","Mineralogical Magazine","2013","77","3","367","383","10.1180/minmag.2013.077.3.10","","","0.71073","MoKα","","0.121","0.0459","","","0.1022","0.1155","","","","","","0.996","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"1520666","12.7486","0.0002","20.8969","0.0004","18.9393","0.0003","90","","103.248","0.0007","90","","4911.28","0.15","103","2","103","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C80 H162 Ge2 Si14 -","- C80 H162 Ge2 Si14 -","- C160 H324 Ge4 Si28 -","2","0.5","","Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Sugamata, Koh; Guo, Jing-Dong; Nagase, Shigeru; Tokitoh, Norihiro","Reaction of a diaryldigermyne with ethylene","Chem. Sci.","2015","6","10","5526","","10.1039/C5SC01266J","","","0.71075","MoKα","","0.0495","0.0377","","","0.0902","0.0977","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520732","14.314","0.001","10.746","0.001","8.947","0.001","90","","103.89","0.01","90","","1336","0.2","","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H28 Br6 N2 Te -","- C18 Br6 N2 Te -","- C36 Br12 N4 Te2 -","2","0.5","","Hauge, Sverre; Maroy, Kjartan","Synthesis and Crystal Structures of Phenyltrimethylammonium Salts of Hexabromotellurate(IV), [C6H5(CH3)3N]2[TeBr6], and catena-poly[(Di-mu-bromobis(tetrabromotellurate(IV)))-mu-bromine], [C6H5(CH3)3N]2n[Te2Br10.Br2]n","Acta Chemica Scandinavica","1998","52","","445","449","10.3891/acta.chem.scand.52-0445","","x-ray","0.71069","MoKα","","","0.042","","","0.044","","","","","","","1.99","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520917","12.781","","12.787","","7.93","","90","","90","","90","","1296.01","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K0.38 (Mg0.38 In0.62) F3","","- F3 In0.62 K0.38 Mg0.38 -","- F3 In0.62 K0.38 Mg0.38 -","- F60 In12.4 K7.6 Mg7.6 -","20","5","","Caramanian, A.; Dupont, N.; Gredin, P.; de Kozak, A.","The crystal structure of Kx (Mgx In1-x) F3 (x=0.38): a new Magneli-bronze type fluoride","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","933","938","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521192","5.4044","","14.5145","","4.7052","","90","","102.798","","90","","359.917","","","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","(Mn0.776 Fe0.229 Mg0.007) Be (P O4) ((O H)0.92 F0.08)","","- Be F0.08 Fe0.229 H0.92 Mg0.007 Mn0.776 O4.92 P -","- Be F0.08 Fe0.229 H0.92 Mg0.007 Mn0.776 O4.92 P -","- Be4 F0.32 Fe0.916 H3.68 Mg0.028 Mn3.104 O19.68 P4 -","4","1","","Huminicki, D.M.C.; Hawthorne, F.C.","Refinement of the crystal structure of vayrynenite","Canadian Mineralogist","2000","38","","1425","1432","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521484","13.707","","14.466","","9.366","","90","","133.64","","90","","1343.99","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Na2 Rb C60","","- C60 Na2 Rb -","- C60 Na2 Rb -","- C120 Na4 Rb2 -","2","0.5","","Lappas, A.; Brown, C.M.; Kordatos, K.; Prassides, K.; Tanigaki, K.; Suard, E.","Neutron diffraction study of the polymeric structure of Na2 Rb C60","Journal of Physics: Condensed Matter","1999","11","","371","381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521688","5.3624","","5.4451","","27.238","","90","","90.288","","90","","795.307","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Nd4 Co3 O10","","- Co3 Nd4 O10 -","- Co3 Nd4 O10 -","- Co12 Nd16 O40 -","4","1","","Olafsen, A.; Hauback, B.C.; Fjellvag, H.","Crystal structure and properties of Nd4 Co3 O10+d and Nd4 Ni3 O10-d","Journal of Solid State Chemistry","2000","151","","46","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521689","5.3675","","5.4548","","27.433","","90","","90.312","","90","","803.189","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- Nd4 Ni3 O10 -","- Nd4 Ni3 O10 -","- Nd16 Ni12 O40 -","4","1","","Olafsen, A.; Fjellvag, H.; Hauback, B.C.","Crystal structure and properties of Nd4 Co3 O10+d and Nd4 Ni3 O10-d","Journal of Solid State Chemistry","2000","151","","46","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522326","15.3812","","9.04167","","17.8808","","90","","125.361","","90","","2027.97","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","Al2 (Mo3 O12)","","- Al2 Mo3 -","- Al2 Mo3 -","- Al16 Mo24 -","8","2","","Zhao, X.-H.","The synthesis and structure of Al2 Mo3-x Wx O12","Gaodeng Xuexiao Huaxue Xuebao","1999","20","","339","343","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1523702","47","","8.75","","9.56","","90","","90.95","","90","","3931.01","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","H2 Fe Ru3 (C O)13","","- C13 H2 Fe O13 Ru3 -","- C13 Fe O13 Ru3 -","- C104 Fe8 O104 Ru24 -","8","2","","Gilmore, C.J.; Woodward, P.","Crystal and molecular structure of H2 Fe Ru3 (C O)13 : a tetrahedral hydridocarbonyl of iron and ruthenium containing asymmetric carbon bridges","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1971","1971","","3453","3458","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524203","15.707","","9.231","","18.204","","90","","125.25","","90","","2155.46","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Fe2 (Mo O4)3","","- Fe2 Mo3 O12 -","- Fe2 Mo3 O12 -","- Fe16 Mo24 O96 -","8","2","","Chen, H.-Y.","The crystal structure and twinning behavior of ferric molybdate Fe2 (Mo O4)3","Materials Research Bulletin","1979","14","","1583","1590","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1524698","9.467","","9.876","","8.71","","90","","90","","90","","814.351","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K Ga Ge3 O8","","- Ga Ge3 K O8 -","- Ga Ge3 K O8 -","- Ga4 Ge12 K4 O32 -","4","1","","Klaska, R.; Jarchow, O.","K Ga Ge3 O8, ein Paracelsian-Typ mit einwertigem Kation","Naturwissenschaften","1977","64","","92","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524895","6.882","","10.315","","4.961","","90","","91.66","","90","","352.023","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Na2 Te O3","","- Na2 O3 Te -","- Na2 O3 Te -","- Na8 O12 Te4 -","4","1","","Masse, R.; Guitel, J.C.; Trodjman, I.","Preparation chimique et structure cristalline des tellurites de sodium et d'argent: Na2 Te O3, Ag2 Te O3","Materials Research Bulletin","1980","15","","431","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524918","10.83","","9.98","","7.174","","90","","108.1","","90","","737.021","","","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","Zr Fe Na1.5 Ca0.5 (Si2 O7) O F","","- Ca0.5 F Fe Na1.5 O8 Si2 Zr -","- Ca0.5 F Fe Na1.5 O8 Si2 Zr -","- Ca2 F4 Fe4 Na6 O32 Si8 Zr4 -","4","1","","Mellini, M.","Refinement of the crystal structure of Lavenite","TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen (1979-)","1981","28","","99","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525523","14.28","","5.04","","8.228","","90","","97.57","","90","","587.018","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(N H4) Ag (N O3)2","","- Ag H4 N3 O6 -","- Ag N3 O6 -","- Ag4 N12 O24 -","4","1","","Zobetz, E.","Die Kristallstruktur der isotypen Verbindungen K Ag (N O3)2, (N H4) Ag (N O3)2 und Rb Ag (N O3)2","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1980","111","","1253","1263","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525702","7.699","","8.183","","7.799","","90","","110.93","","90","","458.924","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Cs0.86 (N H4)0.14 (H S O4)0.66 (H Se O4)0.34","","- Cs0.86 H1.56 N0.14 O4 S0.66 Se0.34 -","- Cs0.86 H N0.14 O4 S0.66 Se0.34 -","- Cs3.44 H4 N0.56 O16 S2.64 Se1.36 -","4","1","","Bouattour, S.; Kolsi, A.W.; Mhiri, T.; Jaud, J.; Romain, F.","Crystal structure and vibrational study of phase transition in the new material Cs0.86 (N H4)0.14 (H S O4)0.66 (H Se O4)0.34","Journal of Physics and Chemistry of Solids","2001","62","","1985","1990","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526067","12.694","","6.886","","13.161","","90","","110.58","","90","","1077","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","(Zn I2) (C O (N H2)2)2","","- C2 H8 I2 N4 O2 Zn -","- C2 H8 I2 N4 O2 Zn -","- C8 H32 I8 N16 O8 Zn4 -","4","1","","Furmanova, N.G.; Resnyanskii, V.F.; Sulaimankulov, K.S.; Sulaimankulova, D.K.; Zhorobekova, Sh.Zh.","Crystal structure of a zinc iodide complex with urea: Zn I2 * 2(C O (N H2)2)","Kristallografiya","2001","46","","58","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526110","11.0717","","7.2994","","11.579","","90","","111.3","","90","","871.856","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Na Sm (P2 S6)","","- Na P2 S6 Sm -","- Na P2 S6 Sm -","- Na4 P8 S24 Sm4 -","4","1","","Goh, E.-Y.; Kim, E.-J.; Kim, S.-J.","Structure modification on quaternary rare earth thiophosphates: Na Yb P2 S6, Na Sm P2 S6 and K Sm P2 S7","Journal of Solid State Chemistry","2001","160","","195","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526111","8.981","","12.254","","9.6094","","90","","90.27","","90","","1057.53","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K Sm (P2 S7)","","- K P2 S7 Sm -","- K P2 S7 Sm -","- K4 P8 S28 Sm4 -","4","1","","Goh, E.-Y.; Kim, E.-J.; Kim, S.-J.","Structure modification on quaternary rare earth thiophosphates: Na Yb P2 S6, Na Sm P2 S6 and K Sm P2 S7","Journal of Solid State Chemistry","2001","160","","195","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526158","7.032","","5","","14.425","","90","","116.59","","90","","453.539","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Cr Fe Ti2 O7","","- Cr Fe O7 Ti2 -","- Cr Fe O7 Ti2 -","- Cr4 Fe4 O28 Ti8 -","4","1","","Grey, I.E.; Mumme, W.G.","The Structure of Cr Fe Ti2 O7","Journal of Solid State Chemistry","1972","5","","168","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527079","17.619","","4.8995","","8.917","","90","","124.08","","90","","637.553","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ca3 Cu3 (P O4)4","","- Ca3 Cu3 O16 P4 -","- Ca3 Cu3 O16 P4 -","- Ca6 Cu6 O32 P8 -","2","0.5","","Anderson, J.B.; Kostiner, E.; Ruszala, F.A.","The crystal structure of Ca3 Cu3 (P O4)4","Journal of Solid State Chemistry","1981","39","","29","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1527082","7.285","","7.517","","3.835","","90","","90","","90","","210.01","","","","","","","","","","","","","1","P 1 21/a 1","-P 2yab","14","","W O3","","- W -","- W -","- W4 -","4","1","","Andersson, G.","On the crystal structure of tungsten trioxide","Acta Chemica Scandinavica (1-27,1973-42,1988)","1953","7","","154","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527489","8.821","","22.197","","7.178","","90","","91.41","","90","","1405.03","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(Co (N H3)6) (Sn Cl4) Cl","","- Cl5 Co H18 N6 Sn -","- Cl5 Co H18 N6 Sn -","- Cl20 Co4 H72 N24 Sn4 -","4","1","","Haupt, H.J.; Huber, F.; Preut, H.","Darstellung und Kristallstruktur von Hexamminkobalt (III)-tetrachloro-stannat (II)-chlorid (Co (N H3)6)(Sn Cl4) Cl","Zeitschrift fuer Anorganische und Allgemeine Chemie","1976","422","","97","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1527634","24.54","","5.439","","6.701","","90","","94.28","","90","","891.909","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- Mo4 O11 -","- Mo4 O11 -","- Mo16 O44 -","4","1","","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",""
"1527762","15.365","","5.0717","","7.5266","","90","","107.18","","90","","560.353","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- Cu Nb3 O8 -","- Cu Nb3 O8 -","- Cu4 Nb12 O32 -","4","1","","Marinder, B.O.; Werner, P.E.; Wahlstroem, E.; Malmros, G.","Investigations on a New Copper Niobium Oxide of Li Nb3 O8 Type Using Chemical Analysis and X-Ray Powder Diffraction Profile Analysis","Acta Chemica Scandinavica, Series A: (28,1974-)","1980","34","","51","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527870","8.58","","7.53","","7.7","","90","","106.03","","90","","478.134","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ba Te O3 H2 O","","- Ba H2 O4 Te -","- Ba H2 O4 Te -","- Ba4 H8 O16 Te4 -","4","1","","Nielsen, B.R.; Hazell, R.G.; Rasmussen, S.E.","The crystal structure of barium tellurite monohydrate, Ba Te O3 H2 O","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","3037","3042","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1528871","12.586","","16.437","","6.62","","90","","100.67","","90","","1345.84","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Hg (Co (C O)4)2","","- C8 Co2 Hg O8 -","- C8 Co2 Hg O8 -","- C32 Co8 Hg4 O32 -","4","1","","Sheldrick, G.M.; Simpson, R.N.F.","The Crystal and Molecular Structure of Bis(tetracarbonylcobalt)mercury, Hg (Co (C O)4)2","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1968","1968","","1005","1009","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528897","12.03","","10.09","","6.26","","90","","107.5","","90","","724.687","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","K (Zn Cl3) (H2 O)2","","- Cl3 H4 K O2 Zn -","- Cl3 H4 K O2 Zn -","- Cl12 H16 K4 O8 Zn4 -","4","1","","Suesse, P.; Brehler, B.","Die Kristallstruktur des K Zn Cl3 (H2 O)2","Beitraege zur Mineralogie und Petrographie (-11,1965)","1964","10","","132","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1528968","12.366","","13.276","","9.943","","90","","108.23","","90","","1550.42","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Mn2 (O H) (P O4)","","- H Mn2 O5 P -","- Mn2 O5 P -","- Mn32 O80 P16 -","16","4","","Waldrop, L.","Crystal structure of triploidite","Naturwissenschaften","1968","55","","296","297","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529038","13.877","","5.4577","","9.452","","90","","90","","90","","715.861","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Sr3 Mg (Si2 O8)","","- Mg O8 Si2 Sr3 -","- Mg O8 Si2 Sr3 -","- Mg4 O32 Si8 Sr12 -","4","1","","Yonesaki, Y.; Takei, T.; Kumada, N.; Kinomura, N.","Crystal structure of Eu(2+)-doped M3 Mg Si2 O8 (M: Ba, Sr, Ca) compounds and their emission properties","Journal of Solid State Chemistry","2009","182","","547","554","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529584","8.29","","8.8","","7.81","","90","","90","","90","","569.755","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ca Be2 (P O4)2","","- Be2 Ca O8 P2 -","- Be2 Ca O8 P2 -","- Be8 Ca4 O32 P8 -","4","1","","Bakakin, V.V.; Belov, N.V.","The crystal structure of hurlbutite","Doklady Akademii Nauk SSSR","1960","135","","587","590","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529670","9.42","","9.47","","7.4","","90","","118.68","","90","","579.145","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","K2 (Pt (N O2)4 Cl2)","","- Cl2 K2 N4 O8 Pt -","- Cl2 K2 N4 O8 Pt -","- Cl4 K4 N8 O16 Pt2 -","2","0.5","","Bokii, G.B.; Guilinskaja, E.A.","The X-ray analysis of the compounds K2 (Pt (N O2)4 Cl2) and K2 (Pt (N O2)4 Br2)","Doklady Akademii Nauk SSSR","1953","88","","975","978","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529725","9.8463","","16.896","","2.8462","","90","","94.95","","90","","471.737","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- Mn1.5 Mo8 O11 -","- Mn1.508 Mo8 O11 -","- Mn3.016 Mo16 O22 -","2","0.5","","Carlson, C.D.; Brough, L.F.; McCarley, R.E.; Edwards, P.A.","Synthesis, structure and properties of Mn1.5 Mo8 O11, a unique structure type among compounds having infinite chains of trans-edge-shared octahedral cluster units","Journal of the Less-Common Metals","1989","156","","325","339","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529964","11.42","","5.05","","8.93","","90","","109.3","","90","","486.059","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ca5 (Si O4)2 (O H)2","","- Ca5 H2 O10 Si2 -","- Ca5 H4 O10 Si2 -","- Ca10 H8 O20 Si4 -","2","0.5","","Ganiev, R.M.; Kharitonov, Yu.A.; Ilyukhin, V.V.; Belov, N.V.","The crystal structure of calcium chondrodite Ca5 (Si O4)2 (O H)2 = Ca (O H)2 (Ca2 Si O4)2","Doklady Akademii Nauk SSSR","1969","188","","1281","1283","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1529985","13.023","","8.7994","","5.8422","","90","","90.231","","90","","669.479","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Ca Fe2.83 (H Si2 O9)","","- Ca Fe2.83 H O9 Si2 -","- Ca Fe2.83 H O9 Si2 -","- Ca4 Fe11.32 H4 O36 Si8 -","4","1","","Ghose, S.; Marezio, M.; Hewat, A.W.","A neutron powder diffraction study of the crystal and magnetic structures of Ilvaite from 305K to 5K a mixed valence iron silicate with an electronic transition","Physics and Chemistry of Minerals (Germany)","1984","11","","67","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530062","15.3803","","9.0443","","17.888","","90","","125.382","","90","","2028.73","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Al2 (Mo O4)3","","- Al2 Mo3 O12 -","- Al2 Mo3 O12 -","- Al16 Mo24 O96 -","8","2","","Harrison, W.T.A.; Cheetham, A.K.; Faber, J.jr","The crystal structure of aluminium molybdate, Al2 (M O4)3, determined by time-of-flight powder neutron diffraction","Journal of Solid State Chemistry","1988","76","","328","333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530125","7.059","","9.784","","7.715","","90","","101.44","","90","","522.253","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Cs Sb S2","","- Cs S2 Sb -","- Cs S2 Sb -","- Cs4 S8 Sb4 -","4","1","","Kanishcheva, A.S.; Batog, V.N.; Mikhailov, Yu.N.; Kuznetsov, V.G.","Crystal structure of Cs Sb S2","Doklady Akademii Nauk SSSR","1980","251","","603","605","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530293","13.4365","","8.5226","","7.1356","","90","","99.717","","90","","805.403","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Gd (I O3)3","","- Gd I3 O9 -","- Gd I3 O9 -","- Gd4 I12 O36 -","4","1","","Liminga, R.; Abrahams, S.C.; Bernstein, J.L.","Paramagnetic Gd (I O3)3. Crystal Structure of the Transition Metal Iodates. IV","Journal of Chemical Physics","1977","67","","1015","1023","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530421","9.959","","9.806","","6.415","","90","","104.83","","90","","605.608","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Cs2 (U O2 Br4)","","- Br4 Cs2 O2 U -","- Br4 Cs2 O2 U -","- Br8 Cs4 O4 U2 -","2","0.5","","Mikhailov, Yu.N.; Kuznetsov, V.G.","The crystal structure of cesium tetrabromouranate Cs2 (U O2 Br4)","Zhurnal Neorganicheskoi Khimii","1971","16","","2512","2516","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530481","14.308","","4.518","","6.516","","90","","91.76","","90","","421.019","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Tl (H2 P O4)","","- H2 O4 P Tl -","- H2 O4 P Tl -","- H8 O16 P4 Tl4 -","4","1","","Nelmes, R.J.; Choudhary, R.N.P.","Structural studies of the monoclinic dihydrogen phosphates. II. A neutron-diffraction study of the Tl H2 P O4","Solid State Communications","1981","38","","321","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530583","21.055","","10.233","","10.121","","90","","110.48","","90","","2042.8","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K2.38 Sb3.62 Ti0.38 O11","","- K2.38 O11 Sb3.62 Ti0.38 -","- K2.38 O11 Sb3.62 Ti0.38 -","- K19.04 O88 Sb28.96 Ti3.04 -","8","2","","Piffard, Y.; Marchand, R.; Tournoux, M.","Structure cristalline de K2.38 Sb3.62 Ti0.38 O11. Relation structurale entre K2.38 Sb3.62 Ti0.38 O11 et K2 Sb4 O11","Annales de Chimie (Paris)","1981","6","","419","427","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530607","7.82","","12.82","","9.44","","90","","96.57","","90","","940.168","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K2 (Pd (N O2)4)","","- K2 N4 O8 Pd -","- K2 N4 O8 Pd -","- K8 N16 O32 Pd4 -","4","1","","Porai-Koshits, M.A.","About the crystal structure of potassium tetranitropalladate","Doklady Akademii Nauk SSSR","1947","58","","603","605","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530608","7.771","","12.795","","9.219","","90","","95.93","","90","","911.74","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K2 (Pt (N O2)4)","","- K2 N4 O8 Pt -","- K2 N4 O8 Pt -","- K8 N16 O32 Pt4 -","4","1","","Porai-Koshits, M.A.; Kukina, G.A.; Nikolaev, V.P.","Crystal structure of potassium tetranitroplatinate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1978","4","","1435","1440","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530610","8.07","","6.05","","5.46","","90","","93.75","","90","","266.006","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(N H3)2 Cl2 Pt","","- Cl2 H6 N2 Pt -","- Cl2 H6 N2 Pt -","- Cl4 H12 N4 Pt2 -","2","0.5","","Porai-Koshits, M.A.","The structure of the crystals of salt platinum trans-dichlorodiammine","Trudy Instituta Kristallografii, Akademiya Nauk SSSR","1954","9","","229","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1530766","10.54","","9.9","","7.14","","90","","108.2","","90","","707.758","","","","","","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","Na2 Ca2 Fe Mn Zr2 (Si O4)4 (O H) F","","- Ca2 F Fe H Mn Na2 O17 Si4 Zr2 -","- Ca2 F Fe Mn Na2 O17 Si4 Zr2 -","- Ca4 F2 Fe2 Mn2 Na4 O34 Si8 Zr4 -","2","0.5","","Simonov, V.I.; Belov, N.V.","The crystal structure of lovenite","Doklady Akademii Nauk SSSR","1960","130","","1333","1336","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530931","7.255","","9.833","","6.665","","90","","122.74","","90","","399.934","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K4 Na2 (Te O6)","","- K4 Na2 O6 Te -","- K4 Na2 O6 Te -","- K8 Na4 O12 Te2 -","2","0.5","","Untenecker, H.; Hoppe, R.","Neue Oxotellurate(VI): K4 Na2 (Te O6)","Journal of the Less-Common Metals","1986","125","","223","231","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531023","10.342","","10.446","","9.971","","90","","96.72","","90","","1069.79","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K2 Nb2 As2 O11","","- As2 K2 Nb2 O11 -","- As2 K2 Nb2 O11 -","- As8 K8 Nb8 O44 -","4","1","","Zid, M.F.; Jouini, T.; Omezzine, M.; Jouini, N.","Preparation et structure cristalline de K2 Nb2 As2 O11","Journal of Solid State Chemistry","1988","74","","337","342","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531203","17.77","","5.651","","17.458","","90","","116.18","","90","","1573.26","","","","","","","","","","","","","11","P 1 21/a 1","-P 2yab","14","","(Ca (La0.61 Ce1.54 Nd0.85)) (Al2 (Al0.8 Mg0.2) (Al0.33 Mg0.33 Fe0.33)) (Si O4)3 (Si2 O7) (O0.86 F0.14) (O0.4 (O H)1.6)","","- Al3.13 Ca Ce1.54 F0.14 Fe0.33 H1.6 La0.61 Mg0.53 Nd0.85 O21.86 Si5 -","- Al3.133 Ca Ce1.539 F0.14 Fe0.333 H1.6 La0.609 Mg0.533 Nd0.849 O21.86 Si5 -","- Al12.532 Ca4 Ce6.156 F0.56 Fe1.332 H6.4 La2.436 Mg2.132 Nd3.396 O87.44 Si20 -","4","1","","Bonazzi, P.; Bindi, L.; Parodi, G.C.","Gatelite-(Ce), a new REE-bearing mineral from Trimouns, French Pyrenees: crystal structure and polysomatic relationships with epidote and tornebohmite-(Ce)","American Mineralogist","2003","88","","223","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531433","17.4295","","9.3803","","9.3769","","90","","101.04","","90","","1504.69","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(H3 O)2 (Cl8 (Mo Br)6) (H2 O)6","","- Br6 Cl8 H18 Mo6 O8 -","- Br6 Cl8 H18 Mo6 O8 -","- Br12 Cl16 H36 Mo12 O16 -","2","0.5","","Flemstroem, A.; Hirsch, T.K.; Ojamaee, L.; Lidin, S.; Sehlstedt, L.","Effects from hydrogen bonds on water structure in (H3 O)2 (Mo6 Cl8 X6) * y(H2 O) : X = Cl(y=7), Br(y=6) or I(y=6)","Solid State Sciences","2002","4","","1017","1022","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531434","18.0083","","9.7612","","9.8139","","90","","100.2","","90","","1697.85","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(H3 O)2 (Cl8 (Mo I)6) (H2 O)6","","- Cl8 H18 I6 Mo6 O8 -","- Cl8 H18 I6 Mo6 O8 -","- Cl16 H36 I12 Mo12 O16 -","2","0.5","","Flemstroem, A.; Hirsch, T.K.; Sehlstedt, L.; Lidin, S.; Ojamaee, L.","Effects from hydrogen bonds on water structure in (H3 O)2 (Mo6 Cl8 X6) * y(H2 O) : X = Cl(y=7), Br(y=6) or I(y=6)","Solid State Sciences","2002","4","","1017","1022","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533055","16.406","","9.663","","19.099","","90","","125.411","","90","","2467.7","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","In2 (W O4)3","","- In2 O12 W3 -","- In2 O12 W3 -","- In16 O96 W24 -","8","2","","Richard, A.P.; Edwards, D.D.","Subsolidus phase relations and crystal structures of the mixed-oxide phases in the (In2 O3)-(W O3) system","Journal of Solid State Chemistry","2004","177","","2740","2748","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533438","15.411","","21.8809","","10.15","","90","","109.42","","90","","3227.92","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Sr (V6 O15)","","- O15 Sr V6 -","- O15 Sr V6 -","- O180 Sr12 V72 -","12","3","","Sellier, C.; Boucher, F.; Janod, E.","Crystal structure and charge order below the metal-insulator transition in the vanadium bronze beta-(Sr V6 O15)","Solid State Sciences","2003","5","","591","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533902","8.158","","8.128","","6.286","","90","","101.01","","90","","409.142","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Cu (H C O O)2 (H2 O)4","","- C2 H10 Cu O8 -","- C2 H10 Cu O8 -","- C4 H20 Cu2 O16 -","2","0.5","","Omura, T.; Moriyoshi, C.; Ikeda, S.; Itoh, K.; Fukazawa, H.","Structural change of Cu (H C O O)2 * 4(H2 O) associated with the antiferroelectric phase transition","Ferroelectrics","2002","270","","375","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534207","13.971","","17.549","","9.23","","90","","95.87","","90","","2251.12","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(Re3 (C O)14 (N O2))","","- C14 N O16 Re3 -","- C14 N O16 Re3 -","- C56 N4 O64 Re12 -","4","1","","Balbach, B.K.; Ziegler, M.L.; Helus, F.; Oberdorfer, F.","Stickstoffdioxid und die Isoelektronische COOH-Gruppe als 5-Elektronendonoren in Carbonylmetallkomplexen; Herstellung und Charakterisierung der ersten 'Metallacarbonsaeure'","Angewandte Chemie (German Edition)","1981","93","","479","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534375","9.53","","11.95","","4.24","","90","","94.4","","90","","481.443","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","K (Au Br4) (H2 O)2","","- Au Br4 H4 K O2 -","- Au Br4 H4 K O2 -","- Au2 Br8 H8 K2 O4 -","2","0.5","","Cox, E.G.; Webster, K.C.","The stereochemistry of quadricovalent atoms: Trivalent gold","Journal of the Chemical Society","1936","1936","","1635","1637","","","","","","","","","","","","","","","","","","","","","","has coordinates","188927","2020-10-21","18:00:00",""
"1534407","5.6674","","10.771","","7.4738","","90","","102.422","","90","","445.547","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Li (Re O4) (H2 O)","","- H2 Li O5 Re -","- Li O5 Re -","- Li4 O20 Re4 -","4","1","","Abakumov, A.M.; Shpanchenko, R.V.; Rozova, M.G.; Mironov, A.V.; Antipov, E.V.; Bramnik, K.G.","Synthesis and crystal structure of the lithium perrhenate monohydrate Li Re O4 . (H2 O)","Solid State Sciences","2001","3","","581","586","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534867","6.427","","9.363","","10.051","","90","","106.16","","90","","580.931","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(Mg3.74 Cr2.25) (P O4)4","","- Cr2.25 Mg3.74 O16 P4 -","- Cr2.242 Mg3.758 O16 P4 -","- Cr4.484 Mg7.516 O32 P8 -","2","0.5","","Maass, K.; Glaum, R.; Gruehn, R.","Beitraege zum thermischen Verhalten und zur Kristallchemie von Wasserfreien Phosphaten XXXII. Neue Orthophosphate des zweiwertigen Chroms - Mg3 Cr3 (P O4)4, Mg3.75 Cr2.25 (P O4)4, Ca3 Cr3 (P O4)4 und Ca2.00 Cr4.00 (P O4)4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1663","1672","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534926","13.095","","7.499","","6.6272","","90","","91.992","","90","","650.394","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Hg3 Se2 (Hf Cl6)","","- Cl6 Hf Hg3 Se2 -","- Cl6 Hf Hg3 Se2 -","- Cl12 Hf2 Hg6 Se4 -","2","0.5","","Beck, J.; Hedderich, S.","Expanded polycationic mercury - chalcogen networks in the layered compounds Hg3 E2 (M X6) (E= S, Se; M= Zr, Hf; X= Cl, Br)","Journal of Solid State Chemistry","2003","172","","12","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534930","13.5099","","7.5679","","7.0197","","90","","92.164","","90","","717.193","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Hg3 Se2 (Zr Br6)","","- Br6 Hg3 Se2 Zr -","- Br6 Hg3 Se2 Zr -","- Br12 Hg6 Se4 Zr2 -","2","0.5","","Beck, J.; Hedderich, S.","Expanded polycationic mercury - chalcogen networks in the layered compounds Hg3 E2 (M X6) (E = S, Se; M = Zr, Hf; X = Cl, Br)","Journal of Solid State Chemistry","2003","172","","12","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534933","13.1133","","7.4975","","6.6335","","90","","91.207","","90","","652.041","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Hg3 Se2 (Zr Cl6)","","- Cl6 Hg3 Se2 Zr -","- Cl6 Hg3 Se2 Zr -","- Cl12 Hg6 Se4 Zr2 -","2","0.5","","Beck, J.; Hedderich, S.","Expanded polycationic mercury - chalcogen networks in the layered compounds Hg3 E2 (M X6) (E = S, Se; M = Zr, Hf; X = Cl, Br)","Journal of Solid State Chemistry","2003","172","","12","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534936","12.9083","","7.3497","","6.6218","","90","","91.755","","90","","627.93","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Hg3 S2 (Zr Cl6)","","- Cl6 Hg3 S2 Zr -","- Cl6 Hg3 S2 Zr -","- Cl12 Hg6 S4 Zr2 -","2","0.5","","Beck, J.; Hedderich, S.","Expanded polycationic mercury - chalcogen networks in the layered compounds Hg3 E2 (M X6) (E = S, Se; M = Zr, Hf; X = Cl, Br)","Journal of Solid State Chemistry","2003","172","","12","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535392","13.248","","9.7576","","13.442","","90","","108.938","","90","","1643.57","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","In4 (P2 O7)3","","- In4 O21 P6 -","- In4 O21 P6 -","- In16 O84 P24 -","4","1","","Thauern, H.; Glaum, R.","Beitraege zur Kristallchemie und zum thermischen Verhalten von wasserfreien Phosphaten. XXXIII. In2 P2 O7, ein Indium(I)-diphosphato-indat(III) und In4 (P2 O7)3 - Darstellung, Kristallisation und Kristallstrukturen","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","479","486","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1535453","10","","7.565","","4.768","","90","","90.31","","90","","360.694","","","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","Fe0.86 (Y1.3 Eu0.7) Be2 (Si O4)2 (O1.72 (O H)0.28)","","- Be2 Eu0.7 Fe0.86 H0.28 O10 Si2 Y1.3 -","- Be2 Eu0.706 Fe0.864 O10 Si2 Y1.294 -","- Be4 Eu1.412 Fe1.728 O20 Si4 Y2.588 -","2","0.5","","Miyawaki, R.; Nakai, I.; Nagashima, K.","A refinement of the crystal structure of gadolinite","American Mineralogist","1984","69","","948","953","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535915","9.54","","10.77","","7.94","","90","","90","","90","","815.802","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Sb O Cl","","- Cl O Sb -","- Cl O Sb -","- Cl12 O12 Sb12 -","12","3","","Edstrand, M.","On the structure of antimony(III) oxidehalides. II. The crystal structure of Sb O Cl","Arkiv foer Kemi","1953","6","","89","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535939","13.8893","","13.0757","","20.0927","","90","","95.199","","90","","3634.07","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","La2 (Mo4 O15)","","- La2 Mo4 O15 -","- La2 Mo4 O15 -","- La24 Mo48 O180 -","12","3","","Naruke, H.; Yamase, T.","Structural investigations of R2 Mo4 O15 (R = La, Nd, Sm) and polymorphs of the R2 Mo4 O15 (R = rare earth) family","Journal of Solid State Chemistry","2003","173","","407","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536334","15.593","","6.229","","11.76","","90","","99.05","","90","","1128.02","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- Cs7 Cu6 F19 -","- Cs7 Cu6 F19 -","- Cs14 Cu12 F38 -","2","0.5","","Kaiser, V.; Babel, D.","Ueber Cs2 Zn Cu3 F10 und die Kristallstruktur von Cs7 Cu6 F19","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","222","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536411","13.013","","8.337","","13.108","","90","","91.54","","90","","1421.56","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Cs3 (P3 O6 S3)","","- Cs3 O6 P3 S3 -","- Cs3 O6 P3 S3 -","- Cs12 O24 P12 S12 -","4","1","","Palkina, K.K.; Chibiskova, N.T.; Maksimova, S.I.; Kuvshinova, T.B.; Pautina, M.S.; Volf, G.U.","Structure of trithiocyclotriphosphates of potassium and cesium.","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1992","28","","1486","1490","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536581","10.13","","11.489","","6.822","","90","","101.2","","90","","778.848","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(C F3) Te Te (C F3)","","- C2 F6 Te2 -","- C2 F6 Te2 -","- C8 F24 Te8 -","4","1","","Dukat, W.; Gall, F.; Mootz, D.; Meyer, C.; Naumann, D.; Schulz, K.; Nowicki, G.","Kristallstruktur von (C F3) Te Te (C F3) - Synthese, Charakterisierung und Eigenschaften von C F3 Te I","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","617","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536728","55.76999","","5.439","","6.701","","90","","32.75","","90","","1099.6","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Mo.72 W.28)5 O14","","- Mo3.6 O14 W1.4 -","- Mo3.6 O14 W1.4 -","- Mo14.4 O56 W5.6 -","4","1","","Portemer, F.; Sundberg, M.R.; Kihlborg, L.; Figlarz, M.","Homologues of Mo4 O11 (mon) in the Mo-W-O system prepared by soft chemistry","Journal of Solid State Chemistry","1993","103","","403","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536782","8.6154","","10.5991","","9.8293","","90","","105.207","","90","","866.138","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(K (H S O5))2 (K (H S O4)) (K2 (S O4))","","- H3 K5 O18 S4 -","- H3 K5 O18 S4 -","- H6 K10 O36 S8 -","2","0.5","","Ermer, O.; Roebke, C.","Crystal structure and chemical stabilization of the triple salt (K H S O5)2 * (K H S O4) * (K2 S O4)","Helvetica Chimica Acta","2003","86","","2908","2913","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536925","27.7287","","4.97311","","13.93504","","90","","103.732","","90","","1866.68","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(C10 H8 N2)4 (Si12 O26)2","","- C40 H32 N8 O52 Si24 -","- C40 N8 O52 Si24 -","- C40 N8 O52 Si24 -","1","0.25","","Zanardi, S.; Brunelli, M.; Alberti, A.; Fornes, V.; Cruciani, G.; Corma, A.","Crystal Structure Determination of Zeolite Nu-6(2) and Its Layered Precursor Nu-6(1)","Angew. Chem. Int. ed.","2004","43","","4933","4937","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536928","17.2569","","4.9881","","13.8482","","90","","106.091","","90","","1145.34","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","Si O2","","- O2 Si -","- O2 Si -","- O48 Si24 -","24","6","","Zanardi, S.; Fornes, V.; Alberti, A.; Brunelli, M.; Corma, A.; Cruciani, G.","Crystal Structure Determination of Zeolite Nu-6(2) and Its Layered Precursor Nu-6(1)","Angew. Chem. Int. ed.","2004","43","","4933","4937","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537025","9.472","","8.913","","9.891","","90","","104.56","","90","","808.22","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","V2 O3 (S O4)2","","- O11 S2 V2 -","- O11 S2 V2 -","- O44 S8 V8 -","4","1","","Richter, K.; Mattes, R.","Darstellung, Ramanspektren und Kristallstrukturen von V2O3(SO4)2, K(VO(SO4)2) und NH4(VO(SO4)2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","611","","158","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1537055","6.658","","12.579","","6.7026","","90","","106.18","","90","","539.115","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(Cs2 P4) (N H3)2","","- Cs2 H6 N2 P4 -","- Cs2 H6 N2 P4 -","- Cs4 H12 N4 P8 -","2","0.5","","Kraus, F.; Aschenbrenner, J.C.; Korber, N.","P4(2-): A 6-pi aromatic polyphosphide in dicesium cyclotetraphosphide-ammonia(1/2)","Angew. Chem. Int. ed.","2003","42","","4030","4033","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537343","18.06","","11.58","","6.99","","90","","114","","90","","1335.47","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N H4)6 Zr2 (O H)2 (C O3)6 (H2 O)3","","- C6 H32 N6 O23 Zr2 -","- C6 N6 O23 Zr2 -","- C12 N12 O46 Zr4 -","2","0.5","","Gorbunova, Yu.E.; Novitskaya, G.N.; Kuznetsov, V.G.","Crystal structure of (N H4)6 (Zr2 (O H)2 (C O3)6) (H2 O)3","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1970","11","","560","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1537402","10.09","","4.64","","4.63","","90","","117","","90","","193.139","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Li2 Pd F6","","- F6 Li2 Pd -","- F6 Li2 Pd -","- F12 Li4 Pd2 -","2","0.5","","Henkel, H.; Hoppe, R.","Neue ternaere Fluoride des Palladiums qnb Platins","Zeitschrift fuer Anorganische und Allgemeine Chemie","1968","359","","160","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537403","10.23","","4.68","","4.65","","90","","117","","90","","198.361","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Li2 Pt F6","","- F6 Li2 Pt -","- F6 Li2 Pt -","- F12 Li4 Pt2 -","2","0.5","","Henkel, H.","Neue ternaere Fluoride des Palladiums und Platins","Zeitschrift fuer Anorganische und Allgemeine Chemie","1968","359","","160","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537418","12.47","","10.01","","5.42","","90","","99.83","","90","","666.617","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","Ru F5","","- F5 Ru -","- F5 Ru -","- F40 Ru8 -","8","2","","Holloway, J.H.; Peacock, R.D.; Small, R.W.H.","The crystal structure of ruthenium pentafluoride","Journal of the Chemical Society","1964","1964","","644","648","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537512","11.244","","12.875","","10.504","","90","","96.061","","90","","1512.13","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ru N O O H (N O2)2 (N H3)2","","- H7 N5 O6 Ru -","- H7 N5 O6 Ru -","- H56 N40 O48 Ru8 -","8","2","","Khodashova, T.S.; Porai-Koshits, M.A.; Sergienko, V.S.","X-Ray Structure Determination for Crystals of Dinitrohydroxonitrosodiammineruthenium","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1971","12","","478","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1537668","10.47","","8.41","","6.59","","90","","103.83","","90","","563.445","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K2 (U O2)2 (V O4)2","","- K2 O12 U2 V2 -","- K2 O12 U2 V2 -","- K4 O24 U4 V4 -","2","0.5","","Appleman, D.E.; Evans, H.T.jr.","The crystal structures of synthetic anhydrous carnotite, K2 (U O2)2 V2 O8, and its cesium analogue, Cs2 (U O2)2 V O8","American Mineralogist","1965","50","","825","842","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1538346","8.42","","4.21","","8.482","","90","","90","","90","","300.672","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- Ce Se2 -","- Ce Se2 -","- Ce4 Se8 -","4","1","","Marcon, J.P.; Pascard, R.","Structure cristalline du polyseleniure de cerium.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1968","266","","270","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538403","7.99","","6","","5.45","","90","","95.2","","90","","260.198","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Pt Cl2 (N H3)2","","- Cl2 H6 N2 Pt -","- Cl2 H6 N2 Pt -","- Cl4 H12 N4 Pt2 -","2","0.5","","Milburn, G.H.W.; Truter, M.R.","The Crystal Structures of cis- and trans-Dichlorodiammineplatinum(II)","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1966","1966","","1609","1616","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1539737","9.13","","12.32","","6.25","","90","","107","","90","","672.292","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N D4)2 V (S O4)2 (D2 O)6","","- D20 N2 O14 S2 V -","- D20 N2 O14 S2 V -","- D40 N4 O28 S4 V2 -","2","0.5","","Deeth, R.J.; Kucharski, E.S.; Figgis, B.N.; Forsyth, J.B.; Reynolds, P.A.","Structures of (ND4)2V(SO4)2(D2O)6 and (ND4)2 V.45Zn.55(SO4)2(D2O)6 at 5.8 K by neutron diffraction","Australian Journal of Chemistry","1988","41","","1289","1294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539741","9.14","","12.32","","6.25","","90","","107","","90","","673.028","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","(N D4)2 (V.45 Zn.55) (S O4)2 (D2 O)6","","- D20 N2 O14 S2 V0.45 Zn0.55 -","- D20 N2 O14 S2 V0.45 Zn0.55 -","- D40 N4 O28 S4 V0.9 Zn1.1 -","2","0.5","","Deeth, R.J.; Figgis, B.N.; Forsyth, J.B.; Kucharski, E.S.; Reynolds, P.A.","Structures of (ND4)2V(SO4)2(D2O)6 and (ND4)2 V.45Zn.55(SO4)2(D2O)6 at 5.8 K by neutron diffraction","Australian Journal of Chemistry","1988","41","","1289","1294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1539940","5.65","","16.21","","6.13","","90","","94.3","","90","","559.845","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Pb N2 S2 (N H3)","","- H3 N3 Pb S2 -","- H3 N3 Pb S2 -","- H12 N12 Pb4 S8 -","4","1","","Weiss, J.","Zur Struktur von Pb N2 S2 (N H3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1966","343","","315","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1539941","8.43","","13.4","","12.55","","90","","90.75","","90","","1417.55","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ni (H N2 S2)2","","- H2 N4 Ni S4 -","- N4 Ni S4 -","- N32 Ni8 S32 -","8","2","","Weiss, J.; Thewalt, U.","Die Struktur von (Ni (H N2 S2)2) und (Pd (H N2 S2)2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1968","363","","159","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539942","7.32","","12.58","","8.74","","90","","113.1","","90","","740.298","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Pd (H N2 S2)2","","- H2 N4 Pd S4 -","- N4 Pd S4 -","- N16 Pd4 S16 -","4","1","","Weiss, J.; Thewalt, U.","Die Struktur von (Ni (H N2 S2)2) und (Pd (H N2 S2)2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1968","363","","159","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541079","9.574","","7.096","","13.637","","90","","100.95","","90","","909.591","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Er H (P O3)4","","- Er H O12 P4 -","- Er H O12 P4 -","- Er4 H4 O48 P16 -","4","1","","Palkina, K.K.; Chudinova, N.N.; Balagina, G.M.; Maksimova, S.I.; Chibiskova, N.T.","Synthesis of acid polyphosphates of rare-earth metals and the structure of Er H (P O3)4","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1982","18","","1561","1566","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541188","13.535","","13.638","","13.421","","90","","90.49","","90","","2477.3","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","K (I3 F16)","","- F16 I3 K -","- F16 I3 K -","- F128 I24 K8 -","8","2","","Mahjoub, A.R.; Hoser, A.; Fuchs, J.; Seppelt, K.","Die Struktur von Br F6(-) und verwandten Verbindungen","Angewandte Chemie (German Edition)","1989","101","","1528","1529","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541367","13.648","","15.591","","10.889","","90","","94.21","","90","","2310.77","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","K4 (H2 Mo5 P2 O21) (H2 O)2","","- H6 K4 Mo5 O23 P2 -","- K4 Mo5 O23 P2 -","- K16 Mo20 O92 P8 -","4","1","","Ozeki, Tomoji; Ichida, Hikaru; Miyamae, Hiroshi; Sasaki, Yukiyoshi","Crystal structure of K~4~[H~2~P~2~Mo~5~O~21~]·2H~2~O","Bulletin of the Chemical Society of Japan","1988","61","12","4455","4457","10.1246/bcsj.61.4455","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541725","16.34","","9.55","","18.76","","90","","125","","90","","2398.02","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","In2 (Mo O4)3","","- In2 Mo3 O12 -","- In2 Mo3 O12 -","- In16 Mo24 O96 -","8","2","","Plyasova, L.M.; Klevtsova, R.F.; Kefeli, L.M.; Borisov, S.V.","An X-ray study of In2 (Mo O4)3","Kristallografiya","1968","13","","38","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541763","10.86","","9.59","","13.83","","90","","96.17","","90","","1432.02","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Al (N O3)3 (H2 O)9","","- Al H18 N3 O18 -","- Al N3 O18 -","- Al4 N12 O72 -","4","1","","Herpin, P.; Sudarsanan, K.","Structure cristalline de nitrate d'aluminium hydrate","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1965","88","","595","601","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541855","13.12","","22.58","","5.88","","90","","90","","90","","1741.95","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","C S (H S)2","","- C H2 S3 -","- C S3 -","- C16 S48 -","16","4","","Krebs, B.; Gattow, G.","Das Kohlenstoffsulfid-bis-(hydrogensulfid) S C (S H)2 und das System H2 S - C S2. 6. Die Kristallstruktur der Trithiokohlensaeure bei -100 C","Zeitschrift fuer Anorganische und Allgemeine Chemie","1965","340","","294","311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541870","9.27","","12.39","","6.22","","90","","105.6","","90","","688.083","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tl2 Cu (H2 O)6 (S O4)2","","- Cu H12 O14 S2 Tl2 -","- Cu H12 O14 S2 Tl2 -","- Cu2 H24 O28 S4 Tl4 -","2","0.5","","Shields, K.G.; van der Zee, J.J.; Kennard, C.H.L.","Thallium hexaaquacopper(II) sulfate, Cu H12 O14 S2 Tl2 (neutron)","Crystal Structure Communications","1972","1","","371","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541871","9.42","","12.785","","6.28","","90","","105.9","","90","","727.394","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Cs2 (Cu (H2 O)6) (S O4)2","","- Cs2 Cu H12 O14 S2 -","- Cs2 Cu H12 O14 S2 -","- Cs4 Cu2 H24 O28 S4 -","2","0.5","","Shields, K.G.; Kennard, C.H.L.","Cesium hexa-aquacopper(II) sulfate, Cs2 Cu H12 O14 S2 (neutron)","Crystal Structure Communications","1972","1","","189","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542049","16.23","","8.57","","6.31","","90","","90","","90","","877.665","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- H N O3 -","- N O3 -","- N16 O48 -","16","4","","Luzzati, V.","Structure cristalline de l'acide nitrique anhydre.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1949","229","","1349","1351","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542104","9.08","","9.58","","8.58","","90","","90","","90","","746.343","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ba (Al2 Si2 O8)","","- Al2 Ba O8 Si2 -","- Al2 Ba O8 Si2 -","- Al8 Ba4 O32 Si8 -","4","1","","Bakakin, V.V.; Belov, N.V.","Crystal structure of paracelsian","Kristallografiya","1960","5","","864","868","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542120","12.26","","4.8","","8.08","","90","","104.3","","90","","460.759","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Na2 (Si2 O5)","","- Na2 O5 Si2 -","- Na2 O5 Si2 -","- Na8 O20 Si8 -","4","1","","Grund, A.","La structure cristalline du disilicate de soude beta-Na2 Si2 O5","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1954","77","","775","785","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1542664","16.58","0.006","10.731","0.004","17.82","0.007","90","","104.369","0.005","90","","3071","2","296","2","296.15","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H36 N O9 P S -","- C29 H36 N O9 P S -","- C116 H144 N4 O36 P4 S4 -","4","1","","Jiang, Jin; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Diethyl Phosphite Initiated Coupling of α-Ketoesters with Imines for Synthesis of α-Phosphonyloxy-β-amino Acid Derivatives and Aziridine-2-carboxylates.","Organic letters","2016","18","4","880","883","10.1021/acs.orglett.6b00273","","","0.71073","MoKα","","0.0989","0.0513","","","0.119","0.1441","","","","","","1.03","","","","has coordinates","177314","2020-10-21","18:00:00",""
"1543270","13.8715","0.0006","5.5938","0.0002","17.2693","0.001","90","","113.43","0.0014","90","","1229.51","0.1","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","5,10-dimethyl-5,10-dihydroindolo[3,2-b]indole",";Indoloindole;","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Ho, Hon Eong; Oniwa, Kazuaki; Yamamoto, Yoshinori; Jin, Tienan","N-Methyl Transfer Induced Copper-Mediated Oxidative Diamination of Alkynes.","Organic letters","2016","18","10","2487","2490","10.1021/acs.orglett.6b01067","","","0.71075","MoKα","","0.0754","0.0588","","","0.1768","0.1908","","","","","","1.067","","","","has coordinates","184958","2020-10-21","18:00:00",""
"1543493","24.4","0.001","14.864","0.001","17.233","0.001","90","","108.543","0.003","90","","5925.6","0.6","100","","100","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C194 H92 Cl4 Li2 N8 Ni2 -","- C193.996 H91.9936 Cl3.992 Li2 N8 Ni2 -","- C387.992 H183.987 Cl7.984 Li4 N16 Ni4 -","2","0.5","","Ueno, Hiroshi; Aoyagi, Shinobu; Yamazaki, Yu; Ohkubo, Kei; Ikuma, Naohiko; Okada, Hiroshi; Kato, Tatsuhisa; Matsuo, Yutaka; Fukuzumi, Shunichi; Kokubo, Ken","Electrochemical reduction of cationic Li+@C60to neutral Li+@C60˙−: isolation and characterisation of endohedral [60]fulleride","Chem. Sci.","2016","7","9","5770","","10.1039/C6SC01209D","","","0.41286","synchrotron","","0.0624","0.0611","","","0.155","0.1569","","","","","","0.964","","","","has coordinates","186337","2020-10-21","18:00:00",""
"1543504","18.28","0.014","5.493","0.004","18.298","0.014","90","","96.02","0.006","90","","1827","2","93","","93","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4'-(3,4-Dimethoxyphenyl)-2,2':6',2''-terpyridine","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C92 H76 N12 O8 -","4","1","","Takase, Tsugiko; Soga, Yuka; Oyama, Dai","4'-(3,4-Dimethoxyphenyl)-2,2':6',2''-terpyridine","IUCrData","2016","1","6","x160950","","10.1107/S2414314616009500","","","0.71075","MoKα","","","0.0998","","","","0.2237","","","","","","1.144","","","","has coordinates,has Fobs","183850","2020-10-21","18:00:00",""
"1543839","11.642","0.0019","30.056","0.005","11.989","0.002","90","","105.322","0.003","90","","4046","1.2","90","2","90","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","p-EtOcorrole","5,10,15-Tris(4-ethoxy-2,3,5,6-tetrafluorophenyl)-21,22-dimethylcorrole","","- C45.2 H30.81 F12 N4 O3.2 -","- C45.202 H30.808 F12 N4 O3.202 -","- C180.808 H123.232 F48 N16 O12.808 -","4","1","","Naito, Wakana; Yasuda, Nobuhiro; Morimoto, Tatsuki; Shigeta, Yasuteru; Takaya, Hikaru; Hisaki, Ichiro; Maeda, Hiromitsu","Doubly N-Methylated Porphyrinoids.","Organic letters","2016","18","12","3006","3009","10.1021/acs.orglett.6b01377","","","0.78203","Synchrotron","","0.1172","0.0668","","","0.1493","0.1973","","","","","","1.107","","","","has coordinates","184917","2020-10-21","18:00:00",""
"1544050","6.8224","0.0005","21.8495","0.0015","7.2677","0.0006","90","","92.233","0.002","90","","1082.54","0.14","294","2","294","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C8 H10 O7 Sr -","- C8 H10 O7 Sr -","- C32 H40 O28 Sr4 -","4","1","","Mohamed Ghazzali; Miftahul Khair; Khalid Al-Farhan; Jan Reedijk","Synthesis, structure and characterisation of (mu-aqua)(diaqua)(mu3-benzene-dicarboxylate-ketaO1,O2)strontium(II) coordination polymer","Inorganica Chimica Acta","2014","","","503","506","10.1016/j.ica.2013.09.041","","","0.71075","MoKα","","0.1052","0.0731","","","0.1731","0.1951","","","","","","1.038","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544067","12.3916","0.0007","9.7149","0.0005","13.2453","0.001","90","","94.592","0.006","90","","1589.39","0.17","300.05","0.1","300.05","0.1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H20 N6 -","- C16 H20 N6 -","- C64 H80 N24 -","4","1","","Kroon, Edwin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Cleavable β-Cyanoethyl Isocyanide in the Ugi Tetrazole Reaction.","Organic letters","2016","18","19","4762","4765","10.1021/acs.orglett.6b01826","","","0.7107","MoKα","","0.1844","0.0821","","","0.1803","0.2405","","","","","","0.979","","","","has coordinates","187978","2020-10-21","18:00:00",""
"1544389","8.096","0.002","10.242","0.002","8.106","0.002","90","","104.73","0.03","90","","650.1","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","alpha-Li4Zn(PO4)2","","","- Li4 O8 P2 Zn -","- Li4 O8 P2 Zn -","- Li16 O32 P8 Zn4 -","4","1","","Jensen, T.R.; Hazell, R.G.; Christensen, Norlund, A.; Hanson, J.C.","Hydrothermal synthesis of lithium zinc phosphates: structural investigation of twinned alpha-Li4Zn(PO4)2 and a high temperature polymorph beta-Li4Zn(PO4)2","Journal of Solid State Chemistry","2002","166","","341","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","187652","2020-10-21","18:00:00",""
"1544509","12.938","0.005","6.834","0.003","9.1","0.002","90","","88.12","0.02","90","","804.2","0.5","","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","HoPSO9H8NC","","","- C H8 Ho N O9 P S -","- C Ho N O9 P S -","- C4 Ho4 N4 O36 P4 S4 -","4","1","","Kumada, N.; Kumon, J.; Miyagawa, K.; Yonesaki, Y.; Takei, T.; Kinomura, N.; Wang, D.; Yu, R.","Preparation and crystal structure of [enH2]0.5[Ho(HPO4)(SO4)(H2O)] (en; ethylenediamine)","Journal of the Ceramic Society of Japan","2010","118","","236","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","187938","2020-10-21","18:00:00",""
"1544821","9.2491","0.0005","18.1423","0.001","14.3719","0.0007","90","","96.61","0.003","90","","2395.6","0.2","296","2","296.15","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(<i>Z</i>)-3-(4-Methylbenzylidene)-4-oxopentanoic acid","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","2","SJ4079","Boukharsa, Youness; Abba Touré, Hamadoun; Taoufik, Jamal; Benzeid, Hanane; Ansar, M'hammed","(<i>Z</i>)-3-(4-Methylbenzylidene)-4-oxopentanoic acid","IUCrData","2016","1","12","x162003","","10.1107/S2414314616020034","","","0.71073","MoKα","","0.078","0.0512","","","0.1525","0.1738","","","","","","1.05","","","","has coordinates,has Fobs","189284","2020-10-21","18:00:00",""
"1545211","11.5604","0.0003","7.8775","0.0002","15.7761","0.0005","90","","92.698","0.003","90","","1435.09","0.07","130","0.1","130","0.1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H19 N5 O -","- C14 H19 N5 O -","- C56 H76 N20 O4 -","4","1","","Patil, Pravin; Madhavachary, Rudrakshula; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","De Novo Assembly of Highly Substituted Morpholines and Piperazines.","Organic letters","2017","19","3","642","645","10.1021/acs.orglett.6b03807","","","0.71073","MoKα","","0.0485","0.0446","","","0.1238","0.1268","","","","","","1.096","","","","has coordinates","191303","2020-10-21","18:00:00",""
"1545487","9.44","0.006","14.6051","0.0015","12.321","0.002","90","","105.68","0.03","90","","1635.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-(5-Methylbenzofuran-3-yl)-N-phenethylacetamide","2-(5-Methyl-1-benzofuran-3-yl)-<i>N</i>-(2-phenylethyl)acetamide","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","SJ4086","Ramprasad, N.; Gowda, K. V. Arjuna; Gowda, Ramakrishna; Basanagouda, Mahantesha; Kantharaj, K. S.; Gowda, G. V. Jagadeesha","2-(5-Methyl-1-benzofuran-3-yl)-<i>N</i>-(2-phenylethyl)acetamide","IUCrData","2017","2","2","x170200","","10.1107/S2414314617002000","","","1.5418","CuKα","","0.1166","0.0625","","","0.1393","0.1685","","","","","","1.043","","","","has coordinates,has Fobs","193949","2020-10-21","18:00:00",""
"1545666","14.2946","0.0013","14.013","0.001","15.2327","0.0011","90","","104.76","0.003","90","","2950.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","p-xyBF2","","","- C17 H15 B F2 O2 -","- C17 H15 B F2 O2 -","- C136 H120 B8 F16 O16 -","8","2","","Tanaka, Mirai; Muraoka, Shunsuke; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Mizuno, Kazuhiko; Ikeda, Hiroshi","Cooperative Effects of o- and m-Methyl Groups on the Intramolecular Charge-Transfer Emission Properties of Dibenzoylmethanatoboron Difluorides","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00005G","","","0.71075","MoKα","","0.126","0.0583","","","0.1484","0.1931","","","","","","0.876","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545874","8.9922","0.0004","9.6614","0.0005","10.2093","0.0005","90","","105.422","0.001","90","","855.02","0.07","113","","113","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","Li[C2C1im][N(SO2F)2]2","lithium 1-ethyl-3-methylimidazolium bis(fluorosulfonyl)amide","","- C6 H11 F4 Li N4 O8 S4 -","- C6 H11 F4 Li N4 O8 S4 -","- C12 H22 F8 Li2 N8 O16 S8 -","2","0.5","","Matsumoto, Kazuhiko; Nishiwaki, Erisa; Hosokawa, Takafumi; Tawa, Shinya; Nohira, Toshiyuki; Hagiwara, Rika","Thermal, Physical, and Electrochemical Properties of Li[N(SO2F)2]-[1-Ethyl-3-methylimidazolium][N(SO2F)2] Ionic Liquid Electrolytes for Li Secondary Batteries Operated at Room and Intermediate Temperatures","The Journal of Physical Chemistry C","2017","121","17","9209","","10.1021/acs.jpcc.7b02296","","","0.71073","MoKα","","0.0325","0.0305","","","0.0856","0.0867","","","","","","1.13","","","","has coordinates,has disorder","196160","2020-10-21","18:00:00",""
"1546163","13.849","0.004","18.445","0.007","8.901","0.003","90","","100.56","0.02","90","","2235.2","1.3","153","","153","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 Br2 Mn N2 O6 Re -","- C20 H20 Br2 Mn N2 O6 Re -","- C80 H80 Br8 Mn4 N8 O24 Re4 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71069","MoKα","","","0.0342","","","","0.1052","","","","","","1.047","","","","has coordinates","197107","2020-10-21","18:00:00",""
"1546403","8.481","0.007","9.473","0.006","6.473","0.004","90","","100.51","0.06","90","","511.3","0.6","","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- F3 H6 Mn O3 -","- F3 H6 Mn O3 -","- F12 H24 Mn4 O12 -","4","1","","Molinier, Michel; Massa, Werner","Structures of two polymorphs of MnF3.3H2O","Journal of Fluorine Chemistry","1992","57","","139","146","","","x-ray","0.71069","MoKα","","","0.0303","","","0.0291","","","","","","","","","","","has coordinates","198166","2020-10-21","18:00:00",""
"1546616","11.5361","0.0003","7.8544","0.0003","15.7254","0.0005","90","","93.296","0.003","90","","1422.51","0.08","120","0.1","120","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H16 Cl N5 O -","- C13 H16 Cl N5 O -","- C52 H64 Cl4 N20 O4 -","4","1","","Patil, Pravin; Madhavachary, Rudrakshula; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","De Novo Assembly of Highly Substituted Morpholines and Piperazines.","Organic letters","2017","19","3","642","645","10.1021/acs.orglett.6b03807","","","1.54184","CuKα","","0.0493","0.0421","","","0.111","0.1185","","","","","","1.038","","","","has coordinates","199597","2020-10-21","18:00:00",""
"1547179","14.4154","0.0006","6.024","0.0002","15.0935","0.0006","90","","94.616","0.007","90","","1306.44","0.09","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","MePyNaph","3-methyl-N-(naphthalen-1-yl)picolinamide","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","","Sato, Takenari; Yoshida, Takumi; Al Mamari, Hamad H.; Ilies, Laurean; Nakamura, Eiichi","Manganese-Catalyzed Directed Methylation of C(sp(2))-H Bonds at 25 °C with High Catalytic Turnover.","Organic letters","2017","19","19","5458","5461","10.1021/acs.orglett.7b02778","","","1.54187","CuKα","","0.0846","0.0517","","","0.1215","0.137","","","","","","1.04","","","","has coordinates","202792","2020-10-21","18:00:00",""
"1547245","19.372","0.0007","9.652","0.0004","20.395","0.001","90","","116.015","0.002","90","","3427","0.3","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C35 H56 N2 O4 Ti -","- C35 H56 N2 O4 Ti -","- C140 H224 N8 O16 Ti4 -","4","1","","Stuart L Hancock; Mary F. Mahon; Matthew D. Jones","Monomeric Ti(IV) Homopiperazine Complexes and their Exploitation for the Ring Opening Polymerisation of rac-Lactide","Chemistry Central Journal","2013","7","","135","","10.1186/1752-153X-7-135","","","0.71073","MoKα","","0.1272","0.0837","","","0.196","0.2254","","","","","","1.079","","","","has coordinates","201064","2020-10-21","18:00:00",""
"1547272","8.3072","0.0011","13.5441","0.0019","17.41","0.002","90","","92.275","0.012","90","","1957.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-(10-Hexyl-10H-phenothiazin-3-ylmethylene)-malononitrile","2-(10-Hexyl-10H-phenothiazin-3-ylmethylene)-malononitrile","","- C22 H21 N3 S -","- C22 H21 N3 S -","- C88 H84 N12 S4 -","4","1","","Fatimah Ali Al-Zahrani; Muhammad Nadeem Arshad; Abdullah M. Asiri; Tariq Mahmood; Mazhar Amjad Gilani; Reda M. El-shishtawy","Synthesis and structural properties of 2-((10-alkyl-10H-phenothiazin-3-yl)methylene)malononitrile derivatives; a combined experimental and theoretical insight","Chemistry Central Journal","2016","10","","13","","10.1186/s13065-016-0158-z","","","0.71073","MoKα","","0.2559","0.0659","","","0.1162","0.1809","","","","","","0.837","","","","has coordinates","201104","2020-10-21","18:00:00",""
"1547622","13.476","0.003","18.301","0.003","25.301","0.005","90","","103.474","0.006","90","","6068","2","93","2","93","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C65 H60 Cl4 N5 O P Pd S2 -","- C65 H60 Cl4 N5 O P Pd S2 -","- C260 H240 Cl16 N20 O4 P4 Pd4 S8 -","4","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0696","0.0613","","","0.1726","0.1789","","","","","","1.037","","","","has coordinates,has disorder","201841","2020-10-21","18:00:00",""
"1548054","7.379","0.006","22.716","0.016","9.381","0.007","90","","111.14","0.02","90","","1466.6","1.9","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","1","","Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka","A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.","Chemical science","2018","9","2","475","482","10.1039/c7sc03567e","","","0.71073","MoKα","","0.1219","0.1217","","","0.3147","0.3149","","","","","","1.838","","","","has coordinates","228727","2020-10-21","18:00:00",""
"1548055","8.5137","0.0002","21.963","0.0006","9.8776","0.0003","90","","104.406","0.0017","90","","1788.9","0.09","123","2","123","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","1","","Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka","A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.","Chemical science","2018","9","2","475","482","10.1039/c7sc03567e","","","1.54187","CuKα","","0.0403","0.036","","","0.1242","0.1303","","","","","","1.12","","","","has coordinates","228727","2020-10-21","18:00:00",""
"1548296","10.165","0.006","7.482","0.004","10.278","0.006","90","","110.446","0.009","90","","732.4","0.7","93","2","93","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H24 B2 O4 -","- C12 H24 B2 O4 -","- C24 H48 B4 O8 -","2","0.5","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.0817","0.0551","","","0.1161","0.1299","","","","","","1.086","","","","has coordinates,has disorder","203758","2020-10-21","18:00:00",""
"1548427","17.6","0.002","19.466","0.002","20.232","0.003","90","","96.305","0.002","90","","6889.6","1.5","93","2","93","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C38 H48 B2 N2 O2 -","- C38 H48 B2 N2 O2 -","- C304 H384 B16 N16 O16 -","8","2","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0994","0.0749","","","0.1645","0.1804","","","","","","1.128","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548435","15.319","0.002","13.7912","0.0018","17.481","0.003","90","","112.051","0.002","90","","3423","0.9","93.15","","93","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C37 H47 B2 N3 O2 -","- C37 H47 B2 N3 O2 -","- C148 H188 B8 N12 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0847","0.0603","","","0.1402","0.1588","","","","","","1.032","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548840","12.8152","0.0003","6.29489","0.00013","18.9482","0.0004","90","","108.347","0.0012","90","","1450.85","0.06","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","α-<i>D</i>,<i>L</i>-Sorbose","","- C6 H12 O6 -","- C6 H12 O6 -","- C48 H96 O48 -","8","2","IS4024","Taguchi, Hiroaki; Sogo, Kouta; Ishii, Tomohiko; Yoshihara, Akihide; Fukada, Kazuhiro","α-<small>D</small>,<small>L</small>-Sorbose","IUCrData","2018","3","1","x180114","","10.1107/S2414314618001141","","","1.54187","CuKα","","0.0541","0.0442","","","0.1128","0.1203","","","","","","1.08","","","","has coordinates,has Fobs","206011","2020-10-21","18:00:00",""
"1548854","10.7685","0.0017","14.2394","0.0019","16.386","0.003","90","","108.759","0.0019","90","","2379.1","0.7","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H30 N2 O2 S2 -","- C25 H30 N2 O2 S2 -","- C100 H120 N8 O8 S8 -","4","1","","Suzuki, Naoya; Suda, Kayo; Yokogawa, Daisuke; Kitoh-Nishioka, Hirotaka; Irle, Stephan; Ando, Akihiro; Abegão, Luis M G; Kamada, Kenji; Fukazawa, Aiko; Yamaguchi, Shigehiro","Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold.","Chemical science","2018","9","10","2666","2673","10.1039/c8sc00066b","","","0.71075","MoKα","","0.0388","0.0342","","","0.0832","0.0865","","","","","","1.023","","","","has coordinates","228638","2020-10-21","18:00:00",""
"1548951","13.5173","0.0003","5.57303","0.00015","27.4909","0.0009","90","","90.469","0.002","90","","2070.88","0.1","125","","125","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H14 F2 O -","- C12 H14 F2 O -","- C96 H112 F16 O8 -","8","2","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.1345","0.1282","","","0.4485","0.4562","","","","","","2.205","","","","has coordinates","228853","2020-10-21","18:00:00",""
"1549701","9.6998","0.0006","20.0864","0.0013","13.8561","0.0009","90","","107.551","0.0015","90","","2574","0.3","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C34 H30 Cl N O -","- C34 H30 Cl N O -","- C136 H120 Cl4 N4 O4 -","4","1","","Kuramoto, Yutaro; Nakagiri, Takanobu; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Ikeda, Hiroshi","A leaning amine-ketone dyad with a nonconjugated linker: solvatofluorochromism and dual fluorescence associated with intramolecular charge transfer.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","9","1157","1168","10.1039/c7pp00453b","","","0.71075","MoKα","","0.1372","0.078","","","0.2213","0.2827","","","","","","1.144","","","","has coordinates","230897","2020-10-21","18:00:00",""
"1551044","10.179","0.002","15.499","0.004","15.438","0.004","90","","107.261","0.003","90","","2325.9","1","183","2","183","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H24 B2 Mn N4 S2 -","- C20 H24 B2 Mn N4 S2 -","- C80 H96 B8 Mn4 N16 S8 -","4","1","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","","","0.71075","MoKα","","0.074","0.0529","","","0.1092","0.1204","","","","","","1.058","","","","has coordinates","215123","2020-10-21","18:00:00",""
"1551194","8.6061","0.0002","7.582","0.0001","7.7252","0.0002","90","","105.88","0.0011","90","","484.843","0.018","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Barium oxidotellurate(IV) monohydrate","","- Ba H2 O4 Te -","- Ba H2 O4 Te -","- Ba4 H8 O16 Te4 -","4","1","HB4298","Weil, Matthias","Redetermination of the crystal structure of BaTeO3(H2O), including the localization of the hydrogen atoms","IUCrData","2019","4","5","","","10.1107/S2414314619007703","","","0.71069","MoKα","","0.029","0.0199","","","0.0388","0.0415","","","","","","1.006","","","","has coordinates,has Fobs","215655","2020-10-21","18:00:00",""
"1551225","13.4193","0.0006","41.433","0.002","14.2634","0.0007","90","","111.803","0.003","90","","7363.2","0.6","200","2","200","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C122 H170 Cl2 N30 Ni3 O38 Ru4 -","- C122 H170 Cl2 N30 Ni3 O38 Ru4 -","- C244 H340 Cl4 N60 Ni6 O76 Ru8 -","2","0.5","","Marinescu, Gabriela; Madalan, Augustin M.; Maxim, Catalin; Shova, Sergiu; Clérac, Rodolphe; Andruh, Marius","Heterometallic 3d-4d coordination polymers assembled from trans-[Ru<sup>III</sup>(L)(CN)<sub>2</sub>]<sup>-</sup> tectons and 3d cations.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15455","15464","10.1039/c9dt01593k","","","0.71073","MoKα","","0.1896","0.0648","","","0.1065","0.147","","","","","","0.884","","","","has coordinates,has disorder","223896","2020-10-21","18:00:00",""
"1551535","21.678","0.003","16.3791","0.0016","22.447","0.003","90","","111.522","0.002","90","","7414.5","1.6","93","","93","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","(C32H40N6)Fe2(OH)2(BPh4)2(Me2CO)1.2(Et2O)0.5","","","- C85.6 H94.2 B2 Fe2 N6 O3.7 -","- C85.6 H94.2 B2 Fe2 N6 O3.7 -","- C342.4 H376.8 B8 Fe8 N24 O14.8 -","4","1","","SEKINO, Mio; FURUTACHI, Hideki; TASAKI, Kyosuke; ISHIKAWA, Takanao; FUJINAMI, Shuhei; AKINE, Shigehisa; SAKATA, Yoko; SUZUKI, Masatatsu; NOMURA, Takashi; OGURA, Takashi; KITAGAWA, Teizo","Crystal Structure of Bis(μ-hydroxo)diiron(II) Complex with a Dinucleating Ligand Having a Butyl Linker","X-ray Structure Analysis Online","2019","35","0","5","","10.2116/xraystruct.35.5","","","0.71073","MoKα","","0.0546","0.0474","","","0.1191","0.1274","","","","","","1.067","","","","has coordinates,has disorder","216145","2020-10-21","18:00:00",""
"1551542","16.718","0.004","12.216","0.003","16.184","0.004","90","","99","0.006","90","","3264.5","1.4","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C40 H33 F3 N2 O -","- C40 H33 F3 N2 O -","- C160 H132 F12 N8 O4 -","4","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.117","0.0699","","","0.1675","0.2285","","","","","","1.085","","","","has coordinates,has disorder","288183","2023-12-08","14:42:52",""
"1551705","25.4238","0.0014","6.9922","0.0005","15.1311","0.0008","90","","92.335","0.005","90","","2687.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Diphenylamine-picric acid(1/2)","","- C24 H15 N7 O14 -","- C24 H15 N7 O14 -","- C96 H60 N28 O56 -","4","1","","KAPOOR, Kamini; GUPTA, Vivek K.; VELMURUGAN, R.; SEKAR, M.","Cocrystallization of Diphenylamine and Picric acid (1:2)","X-ray Structure Analysis Online","2012","28","","31","","10.2116/xraystruct.28.31","","","0.71073","MoKα","","0.1345","0.077","","","0.2218","0.2833","","","","","","1.026","","","","has coordinates","216317","2020-10-21","18:00:00",""
"1551753","15.7058","0.0006","14.8399","0.001","16.3334","0.0009","90","","117.778","0.004","90","","3368.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C38.25 H40.5 Cl0.5 O6 -","- C38.25 H40 Cl0.5 O6 -","- C153 H160 Cl2 O24 -","4","1","","MEDDEB-LIMEM, Sondes; BESBES-HENTATI, Salma; SAID, Hechmi; MALÉZIEUX, Bernard; CHAMOREAU, Lise. Marie.; BOUVET, Marcel","Electrosynthesis and Structural Studies of 5,17-Di-tert-butyl-26,28-dimethoxycalix[4]arene-25,27-diquinone","X-ray Structure Analysis Online","2010","26","","29","","10.2116/xraystruct.26.29","","","0.71073","MoKα","","0.1967","0.0756","","","0.1925","0.2442","","","","","","1.037","","","","has coordinates","216365","2020-10-21","18:00:00",""
"1551797","10.105","0.002","20.061","0.003","11.213","0.003","90","","107.83","0.02","90","","2163.9","0.8","125","","125","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H23 N7 O6 -","- C20 H23 N7 O6 -","- C80 H92 N28 O24 -","4","1","","BANERT, Klaus; SCHUMANN, Patrick; RÜFFER, Tobias; LANG, Heinrich","Synthesis and Crystal Structure of 10,20-Dimethyl-15-oxa-1,3,6,8,9,21-hexaazapentacyclo[15.3.1.16,9.13,21.08,13]tricosa-11,18-diene-2,7,14,22,23-pentaone","X-ray Structure Analysis Online","2009","25","","9","","10.2116/xraystruct.25.9","","","1.54184","CuKα","","0.0327","0.031","","","0.078","0.0791","","","","","","1.067","","","","has coordinates","216409","2020-10-21","18:00:00",""
"1552536","8.191","0.003","35.062","0.011","11.513","0.003","90","","107.607","0.005","90","","3151.6","1.7","93","2","93","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C44 H41 Cl0 N3 -","- C44 H41 N3 -","- C176 H164 N12 -","4","1","","Matsuo, Yusuke; Chen, Fengkun; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro","Facile synthesis of fluorescent hetero[8]circulene analogues with tunable solubilities and optical properties","Chemical Science","2019","","","","","10.1039/C9SC05087F","","","1.54187","CuKα","","0.0724","0.061","","","0.17","0.1769","","","","","","1.033","","","","has coordinates","220577","2020-10-21","18:00:00",""
"1552780","15.29","0.003","6.5298","0.0014","27.551","0.006","90","","105.054","0.013","90","","2656.3","1","173.1","","173.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","2","","KUBO, Kanji; MATSUMOTO, Taisuke; TAKECHI, Haruko","Crystal Structure of 7-(Dimethylamino)-3-phenylcoumarin","X-ray Structure Analysis Online","2019","35","0","47","","10.2116/xraystruct.35.47","","","1.54187","CuKα","","","0.0591","","","","0.1864","","","","","","1.101","","","","has coordinates","225378","2020-10-21","18:00:00",""
"1553242","14.388","","6.189","","20.392","","90","","98.16","","90","","1797.47","","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Cinnamaldimine","S1","","- C18 H27 Cl N2 O -","- C18 H27 Cl N2 O -","- C72 H108 Cl4 N8 O4 -","4","1","","Jiménez-Sánchez, Arturo; Santillan, Rosa","A photochromic-acidochromic HCl fluorescent probe. An unexpected chloride-directed recognition.","The Analyst","2016","141","13","4108","4120","10.1039/c6an00509h","","","0.71073","MoKα","","0.0897","0.0552","","","0.1192","0.1364","","","","","","1.041","","","","has coordinates","233974","2020-10-21","18:00:00",""
"1553406","12.411","0.005","21.348","0.008","12.558","0.005","90","","117.284","0.006","90","","2957","2","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C34 H37 Cl N2 O8 -","- C34 H37 Cl N2 O8 -","- C136 H148 Cl4 N8 O32 -","4","1","","Pepe, Giulio; Cole, Jacqueline M.; Waddell, Paul G.; Perry, James I.","Rationalizing the suitability of rhodamines as chromophores in dye-sensitized solar cells: a systematic molecular design study","Molecular Systems Design & Engineering","2016","1","4","416","","10.1039/C6ME00076B","","","0.71073","MoKα","","0.0889","0.067","","","","0.1661","","","","","","1.118","","","","has coordinates,has disorder","234772","2020-10-21","18:00:00",""
"1554065","9.4976","0.001","20.413","0.002","10.0843","0.0009","90","","112.307","0.009","90","","1808.8","0.3","293","","293","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","9,10-Diphenylanthracene","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","","Salzillo, Tommaso; Della Valle, Raffaele Guido; Venuti, Elisabetta; Brillante, Aldo; Siegrist, Theo; Masino, Matteo; Mezzadri, Francesco; Girlando, Alberto","Two New Polymorphs of the Organic Semiconductor 9,10-Diphenylanthracene: Raman and X-ray Analysis","The Journal of Physical Chemistry C","2016","120","3","1831","","10.1021/acs.jpcc.5b11115","","","0.71073","MoKα","","0.1273","0.0478","","0.0577","0.0457","0.0457","","","","","","0.9513","","","","has coordinates","236522","2020-10-21","18:00:00",""
"1554066","9.4051","0.0009","20.2644","0.0019","9.9777","0.0009","90","","113.003","0.009","90","","1750.4","0.3","105","","293","","","","","","","","9,10-Diphemylanthracene","2","P 1 21/a 1","-P 2yab","14","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","","Salzillo, Tommaso; Della Valle, Raffaele Guido; Venuti, Elisabetta; Brillante, Aldo; Siegrist, Theo; Masino, Matteo; Mezzadri, Francesco; Girlando, Alberto","Two New Polymorphs of the Organic Semiconductor 9,10-Diphenylanthracene: Raman and X-ray Analysis","The Journal of Physical Chemistry C","2016","120","3","1831","","10.1021/acs.jpcc.5b11115","","","0.71073","MoKα","","0.0945","0.0475","","0.0875","0.0782","0.0782","","","","","","0.8514","","","","has coordinates","236522","2020-10-21","18:00:00",""
"1554067","9.4528","0.0009","20.337","0.0019","10.0264","0.0009","90","","112.802","0.009","90","","1776.9","0.3","200","","293","","","","","","","","9,10-Diphenilanthracene","2","P 1 21/a 1","-P 2yab","14","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","","Salzillo, Tommaso; Della Valle, Raffaele Guido; Venuti, Elisabetta; Brillante, Aldo; Siegrist, Theo; Masino, Matteo; Mezzadri, Francesco; Girlando, Alberto","Two New Polymorphs of the Organic Semiconductor 9,10-Diphenylanthracene: Raman and X-ray Analysis","The Journal of Physical Chemistry C","2016","120","3","1831","","10.1021/acs.jpcc.5b11115","","","0.71073","MoKα","","0.1177","0.0472","","0.0777","0.0704","0.0704","","","","","","0.8308","","","","has coordinates","236522","2020-10-21","18:00:00",""
"1555013","23.94","0.011","28.05","0.013","23.991","0.011","90","","119.85","0.008","90","","13973","11","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C147 H132 N16 O27 Zn -","- C147 H132 N16 O27 Zn -","- C588 H528 N64 O108 Zn4 -","4","1","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Durmuş, Mahmut; Zhang, Xian-Fu; Makhseed, Saad","Dual-directional alkyne-terminated macrocycles: Enroute to non-aggregating molecular platforms","Organic Chemistry Frontiers","2019","6","18","3192","","10.1039/C9QO00695H","","","0.71075","MoKα","","0.1687","0.1287","","","0.3375","0.3647","","","","","","1.259","","","","has coordinates,has disorder","238272","2020-10-21","18:00:00",""
"1555858","11.6533","0.0002","10.6806","0.0002","13.6153","0.0003","90","","109.726","0.0008","90","","1595.18","0.05","150","","150","","","","","","","","synthesis","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H15 N3 -","- C20 H15 N3 -","- C80 H60 N12 -","4","1","","Lamb, Alan D.; Davey, Peter D.; Driver, Russell W.; Thompson, Amber L.; Smith, Martin D.","Enantioselective Synthesis of 4- and 6-Azaindolines by a Cation-Directed Cyclization.","Organic letters","2016","18","20","5372","5375","10.1021/acs.orglett.6b02744","","","0.71073","MoKα","","0.0649","0.045","","0.1132","0.0989","0.1132","","","","","","0.9395","","","","has coordinates","239184","2020-10-21","18:00:00",""
"1556329","17.8598","0.0014","10.775","0.0008","31.054","0.002","90","","101.73","0.004","90","","5851.2","0.7","120","2","120","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Compound 2","","","- C66 H64 Cl2 N4 O7.5 V2 -","- C66 H64 Cl2 N4 O7.5 V2 -","- C264 H256 Cl8 N16 O30 V8 -","4","1","","Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L.","Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts","Catal. Sci. Technol.","2013","3","1","152","","10.1039/C2CY20571H","","","0.71073","MoKα","","0.1007","0.0653","","","0.1159","0.1271","","","","","","1.037","","","","has coordinates,has disorder","244216","2020-10-21","18:00:00",""
"1556330","9.6297","0.0003","12.1792","0.0004","16.2276","0.0006","90","","100.851","0.004","90","","1869.18","0.11","140","1","140","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound L5","","","- C44 H56 N2 O2 -","- C44 H56 N2 O2 -","- C88 H112 N4 O4 -","2","0.5","","Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L.","Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts","Catal. Sci. Technol.","2013","3","1","152","","10.1039/C2CY20571H","","","0.71073","Mo-Kα","","0.1056","0.0498","","","0.0835","0.0958","","","","","","0.926","","","","has coordinates","244216","2020-10-21","18:00:00",""
"1556470","17.1928","0.0004","11.2469","0.0003","18.0925","0.0004","90","","96.108","0.001","90","","3478.61","0.15","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","dpg26","","","- C37 H30 Au Cl2 Hg I P2 -","- C37 H30 Au Cl2 Hg I P2 -","- C148 H120 Au4 Cl8 Hg4 I4 P8 -","4","1","","Lopez-de-Luzuriaga J.M.; Monge, M.; Olmos, M.E.; Pascual, D.","[AuHg(o-C6H4PPh2)2I]: A Dinuclear Heterometallic Blue Emitter","Inorganics","2015","3","","27","39","10.3390/inorganics3010027","","x-ray","0.71073","MoKα","","0.0377","0.0278","","","0.0635","0.0678","","","","","","1.027","","","","has coordinates","244956","2020-10-21","18:00:00",""
"1557046","14.417","0.002","18.045","0.002","23.48","0.003","90","","90.244","0.011","90","","6108.4","1.3","","","293","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C12 H35 Cl4 Cr2 N8 Na O18 -","- C12 Cl4 Cr2 N8 Na O18.005 -","- C96 Cl32 Cr16 N64 Na8 O144.04 -","8","2","","Andersen, Peter; Bengaard, Hanne; Glerup, Jorgen; Gumm, Andreas; Larsen, Sine","Synthesis and Characterization of a Dinuclear Chromium(III) Complex with Two Amido Bridges and One Hydroxo Bridge. Crystal Structure of Na[(tacn)Cr(mu-NH2)2(mu-OH)Cr(tacn)](ClO4)4.H2O (tacn = 1,4,7-Triazacyclononane)","Acta Chemica Scandinavica","1998","52","","1313","1321","10.3891/acta.chem.scand.52-1313","","x-ray","0.71069","MoKα","","","0.0894","","","0.1649","","","","","","","1.229","","","","has coordinates","246862","2020-10-21","18:00:00",""
"1557154","10.301","0.004","7.095","0.002","7.525","0.003","90","","96.45","0.03","90","","546.5","0.3","","","293","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- Al2 Br6 -","- Al2 Br6 -","- Al4 Br12 -","2","0.5","","Berg, Rolf Willestofte; Poulsen, Finn Willy; Nielsen, Kurt","Redetermination of the Crystal Structure of Al2Br6. A Comparison of Three Methods","Acta Chemica Scandinavica","1997","51","","442","448","10.3891/acta.chem.scand.51-0442","","x-ray","0.71069","MoKα","","0.0746","0.0418","","","","0.1066","","","","","","","","","","has coordinates","247253","2020-10-21","18:00:00",""
"1557198","17.525","0.003","17.955","0.004","12.804","0.002","90","","104.97","0.02","90","","3892.2","1.3","","","25","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","Mn(cth)Cu(oxpn)(CF3SO3)2","","","- C26 H52 Cu F6 Mn N8 O8 S2 -","- C26 Cu F6 Mn N8 O8 S2 -","- C104 Cu4 F24 Mn4 N32 O32 S8 -","4","1","","Baron, V.; Gillon, B.; Kahn, O.; Rundlof, H.; Tellgren, R.","Low-Temperature Neutron and X-Ray Diffraction Studies on Mn(cth)Cu(oxpn)(CF3SO3)2: (cth) = (±)-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane; (oxpn) = N,N'-Bis(3-aminopropyl)oxamide","Acta Chemica Scandinavica","1997","51","","683","688","10.3891/acta.chem.scand.51-0683","","x-ray","0.71069","MoKα","","","0.057","","","0.072","","","","","","","3.6","","","","has coordinates","247408","2020-10-21","18:00:00",""
"1557432","9.5811","0.0006","4.435","0.0006","15.5616","0.0006","90","","106.922","0.004","90","","632.62","0.1","","","296","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","trans-Diamminedihydroxoplatinum(II) Dihydrate","","","- H12 N2 O4 Pt -","- N2 O4 Pt -","- N8 O16 Pt4 -","4","1","","Arpalahti, Jorma; Sillanpaa, Reijo; Barnham, Kevin J.; Sadler, Peter J.","X-Ray Crystal Structure Determination and Spectroscopic Characterization of trans-Diamminedihydroxoplatinum(II) Dihydrate","Acta Chemica Scandinavica","1996","50","","181","184","10.3891/acta.chem.scand.50-0181","","x-ray","0.71069","MoKα","","","0.031","","","0.048","","","","","","","","","","","has coordinates","248646","2020-10-21","18:00:00",""
"1557489","29.873","0.005","7.662","0.002","9.192","0.002","90","","91.75","0.02","90","","2102.9","0.8","","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","[5]TH","","","- C23 H12 N2 O6 S3 -","- C23 N2 O6 S3 -","- C92 N8 O24 S12 -","4","1","","Yamada, Koh-ichi; Oguma, Eiji; Nakagawa, Hiroko; Kawazura, Hiroshi; Miyamae, Hiroshi","Structure of the 1:1 Charge-Transfer Complex between Trithia[5]heterohelicene and 3,5-Dinitrobenzoic Acid. Deformation of Helicene Molecules in Crystals","Acta Chemica Scandinavica","1996","50","","438","442","10.3891/acta.chem.scand.50-0438","","x-ray","0.71069","MoKα","","","0.074","","","0.079","","","","","","","","","","","has coordinates","249079","2020-10-21","18:00:00",""
"1557691","11.524","0.002","11.959","0.002","14.284","0.001","90","","109.14","0.01","90","","1859.7","0.5","","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","trans-3-(4-Acetoxy-3-methoxyphenyl)-8-acetyloxy-2-methyl-2,3-dihydro- 1,4-benzodioxine","","","- C20 H20 O7 -","- C20 H20 O7 -","- C80 H80 O28 -","4","1","","Lariucci, Carlito; Inumaru, Aurea Tamae; Barata, Lauro Euclides Soares; de Azevedo, Neucirio Ricardo; Ferri, Pedro Henrique","Synthesis and Crystal Structure of trans-3-(4-Acetoxy-3-methoxyphenyl)-8-acetyloxy-2-methyl-2,3-dihydro- 1,4-benzodioxine","Acta Chemica Scandinavica","1996","50","","1025","1029","10.3891/acta.chem.scand.50-1025","","x-ray","0.71069","MoKα","","","0.059","","","","","","","","","","","","","","has coordinates","249858","2020-10-21","18:00:00",""
"1557700","13.965","0.003","10.292","0.002","8.608","0.002","90","","104.51","0.02","90","","1197.7","0.5","","","93","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Phenyltrimethylammonium Salt of Hexachlorotellurate(IV) [C6H5(CH3)3N]2[TeCl6]","","","- C18 H28 Cl6 N2 Te -","- C18 Cl6 N2 Te -","- C36 Cl12 N4 Te2 -","2","0.5","","Hauge, Sverre; Maroy, Kjartan","Syntheses and Crystal Structures of Phenyltrimethylammonium Salts of Hexachlorotellurate(IV), [C6H5(CH3)3N]2[TeCl6], catena-poly[(Di-mu-chlorobis{tetrachlorotellurate(IV)})-mu-bromine], [C6H5(CH3)3N]2n[Te2Cl10.Br2]n and Di-mu-chlorobis{tetrachlorotellurate(IV)} catena-poly[(mu-chlorobis{pentachlorotellurate(IV)})-mu-iodine(I)], [C6H5(CH3)3N]4n[Te2Cl10]n[Te2Cl11.I]n","Acta Chemica Scandinavica","1996","50","","1095","1101","10.3891/acta.chem.scand.50-1095","","x-ray","0.71069","MoKα","","","0.018","","","0.022","","","","","","","1.573","","","","has coordinates","249915","2020-10-21","18:00:00",""
"1557714","17.192","0.005","15.593","0.002","18.178","0.004","90","","91.27","0.02","90","","4871.9","1.9","","","93","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","trans-N,P-[Pt(ppy)(Pmor3)Cl]","","","- C23 H36 Cl N4 O3 P Pt -","- C23 Cl N4 O3 P Pt -","- C184 Cl8 N32 O24 P8 Pt8 -","8","2","","Balashev, Konstantin P.; Engebretsen, Thoralf; Kvam, Per-Inge; Maartmann-Moe, Knut; Puzyk, Michael V.; Songstad, Jon","Crystal Structures and Spectroscopic Properties of trans-N,P-[Pt(ppy)(Pmor3)Cl] and trans-N,P-[Pt(tpy)(Pmor3)Cl].CH3CN [ppy = N,C'-chelated 2-phenylpyridinate, tpy = N,C'-Chelated 2-(2'-thienyl)pyridinate, Pmor3 = tris(morpholino)phosphine]","Acta Chemica Scandinavica","1996","50","","1108","1115","10.3891/acta.chem.scand.50-1108","","x-ray","0.71073","MoKα","","","0.031","","","0.028","","","","","","","1.216","","","","has coordinates","249962","2020-10-21","18:00:00",""
"1557715","12.415","0.004","12.731","0.001","16.702","0.006","90","","105.42","0.02","90","","2544.8","1.3","","","93","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","trans-N,P-[Pt(tpy)(Pmor3)Cl].CH3CN","","","- C23 H36 Cl N5 O3 P Pt S -","- C23 Cl N5 O3 P Pt S -","- C92 Cl4 N20 O12 P4 Pt4 S4 -","4","1","","Balashev, Konstantin P.; Engebretsen, Thoralf; Kvam, Per-Inge; Maartmann-Moe, Knut; Puzyk, Michael V.; Songstad, Jon","Crystal Structures and Spectroscopic Properties of trans-N,P-[Pt(ppy)(Pmor3)Cl] and trans-N,P-[Pt(tpy)(Pmor3)Cl].CH3CN [ppy = N,C'-chelated 2-phenylpyridinate, tpy = N,C'-Chelated 2-(2'-thienyl)pyridinate, Pmor3 = tris(morpholino)phosphine]","Acta Chemica Scandinavica","1996","50","","1108","1115","10.3891/acta.chem.scand.50-1108","","x-ray","0.71073","MoKα","","","0.026","","","0.033","","","","","","","1.626","","","","has coordinates","249963","2020-10-21","18:00:00",""
"1557743","12.402","0.002","9.414","0.001","3.216","0.001","90","","97.73","0.03","90","","372.06","0.14","","","293","","","","","","","","surgery product from a man's liver","4","P 1 21/a 1","-P 2yab","14","chukanovite Fe2(CO3)(OH)2","","Chukanovite","- C H2 Fe2 O5 -","- C Fe2 O5 -","- C4 Fe8 O20 -","4","1","","Seungyeol Lee; Huifang Xu","The crystal structure and Gibbs free energy of formation of chukanovite as an oxidation product of carbon steel in human liver","Chemical Geology","2018","488","","180","188","10.1016/j.chemgeo.2018.04.033","powder diffraction","x-ray","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"1558011","16.6398","0.0011","9.562","0.0006","16.8786","0.0011","90","","106.273","0.004","90","","2578","0.3","296","2","296","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C37 H24 -","- C37 H24 -","- C148 H96 -","4","1","","Wang, Qiang; Lucas, Fabien; Quinton, Cassandre; Qu, Yang-Kun; Rault-Berthelot, Joëlle; Jeannin, Olivier; Yang, Sheng-Yi; Kong, Fan-Cheng; Kumar, Sarvendra; Liao, Liang-Sheng; Poriel, Cyril; Jiang, Zuo-Quan","Evolution of pure hydrocarbon hosts: simpler structure, higher performance and universal application in RGB phosphorescent organic light-emitting diodes","Chemical Science","2020","11","19","4887","4894","10.1039/D0SC01238F","","x-ray","0.71073","MoKα","","0.1906","0.0612","","","0.1113","0.1533","","","","","","0.967","","","","has coordinates","257327","2020-10-21","18:00:00",""
"1558184","12.7006","0.0004","10.0271","0.0005","20.1044","0.001","90","","106.525","0.003","90","","2454.55","0.19","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","Compound X","","","- C14 H14 O2 -","- C14 H14 O2 -","- C112 H112 O16 -","8","2","","RESENDE, Pamela C. S.; COURI, Mara R. C.; MIGUEL, Fábio B.; CUIN, Alexandre","Analytical, Spectroscopic and Crystallographic Characterization of 3-[(2<i>E</i>)-3-Phenylprop-2-en-1-ylidene]pentane-2,4-dione","X-ray Structure Analysis Online","2020","36","0","15","16","10.2116/xraystruct.36.15","","x-ray","0.71073","MoKα","","0.1494","0.0831","","","0.2238","0.2565","","","","","","1.045","","","","has coordinates","258168","2020-10-21","18:00:00",""
"1558549","9.386","0.003","12.647","0.007","6.055","0.002","90","","107.17","0.03","90","","686.7","0.5","","","15","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Diammonium Hexaaquacopper Disulfate (ND4)2Cu(SO4)2.6D2O","","","- Cu D20 N2 O14 S2 -","- Cu D20 N2 O14 S2 -","- Cu2 D40 N4 O28 S4 -","2","0.5","","Iversen, Bo Brummerstedt; Larsen, Finn Krebs; Reynolds, Philip A.; Figgis, Brian N.","Single-Crystal Neutron Diffraction Study of Diammonium Hexaaquacopper Disulfate at 15 and 293 K. Investigation of Anharmonic Thermal Motion","Acta Chemica Scandinavica","1994","48","","800","809","10.3891/acta.chem.scand.48-0800","","neutron","1.013","","","","0.018","","","0.024","","","","","","","1","","","","has coordinates","254142","2020-10-21","18:00:00",""
"1558550","9.302","0.004","12.519","0.009","6.188","0.003","90","","106.46","0.04","90","","691.1","0.7","","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Diammonium Hexaaquacopper Disulfate (ND4)2Cu(SO4)2.6D2O","","","- Cu D20 N2 O14 S2 -","- Cu D20 N2 O14 S2 -","- Cu2 D40 N4 O28 S4 -","2","0.5","","Iversen, Bo Brummerstedt; Larsen, Finn Krebs; Reynolds, Philip A.; Figgis, Brian N.","Single-Crystal Neutron Diffraction Study of Diammonium Hexaaquacopper Disulfate at 15 and 293 K. Investigation of Anharmonic Thermal Motion","Acta Chemica Scandinavica","1994","48","","800","809","10.3891/acta.chem.scand.48-0800","","neutron","1.013","","","","0.064","","","0.072","","","","","","","2.41","","","","has coordinates","254143","2020-10-21","18:00:00",""
"1558573","18.553","0.013","3.882","0.002","31.55","0.02","90","","94.74","0.05","90","","2265","2","","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","1,2,4,5,7,8-Hexachloronaphthalene","","","- C10 H2 Cl6 -","- C10 Cl6 -","- C80 Cl48 -","8","2","","Jakobsson, Eva; Lonnberg, Cecilia; Eriksson, Lars","Synthesis and Crystallography of Two Hexachloronaphthalenes. Part II. 1,2,4,5,6,8-Hexachloronaphthalene and 1,2,4,5,7,8-Hexachloronaphthalene","Acta Chemica Scandinavica","1994","48","","891","898","10.3891/acta.chem.scand.48-0891","","x-ray","0.71069","MoKα","","0.1273","0.0751","","","","0.2426","","","","","","1.435","","","","has coordinates","254227","2020-10-21","18:00:00",""
"1558848","12.615","0.001","11.984","0.001","16.747","0.001","90","","90.234","0.009","90","","2531.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H24 F10 O S24 Ta2 -","- C30 H24 F10 O S24 Ta2 -","- C60 H48 F20 O2 S48 Ta4 -","2","0.5","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","0.71073","MoKα","","0.2169","0.065","","","0.074","0.0942","","","","","","0.961","","","","has coordinates,has disorder","255302","2020-10-21","18:00:00",""
"1558909","10.338","0.002","10.627","0.002","13.232","0.003","90","","93.95","0.02","90","","1450.2","0.5","","","130","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","bicyclic guanidinium/nitronate salt","","","- C14 H20 N4 O2 -","- C14 H2 N4 O2 -","- C56 H8 N16 O8 -","4","1","","van Aken, Eddie; Wynberg, Hans; van Bolhuis, Fre","Nitroalkanes in C‒C Bond Forming Reactions: a Crystal Structure of a Complex of a Guanidine Catalyst and a Nitroalkane Substrate","Acta Chemica Scandinavica","1993","47","","122","124","10.3891/acta.chem.scand.47-0122","","x-ray","0.71073","MoKα","","","0.041","","","0.048","","","","","","","","","","","has coordinates","255624","2020-10-21","18:00:00",""
"1558922","15.019","0.003","9.918","0.003","9.341","0.002","90","","109.85","0.03","90","","1308.7","0.6","","","296","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-thiadiazine","","","- C13 H17 N3 S -","- C13 H17 N3 S -","- C52 H68 N12 S4 -","4","1","","Szulzewsky, Klaus; Pfeiffer, Wolf-Diethard; Bulka, Ehrenfried; Rossberg, Harald; Schulz, Burghard","The Crystal Structures of 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-thiadiazine and 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-selenadiazine","Acta Chemica Scandinavica","1993","47","","302","306","10.3891/acta.chem.scand.47-0302","","x-ray","0.71069","MoKα","","","0.077","","","","","","","","","","","","","","has coordinates","255690","2020-10-21","18:00:00",""
"1558923","19.533","0.003","6.079","0.002","12.241","0.002","90","","107.79","0.02","90","","1384","0.6","","","296","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-selenadiazine","","","- C13 H17 N3 Se -","- C13 H N3 Se -","- C52 H4 N12 Se4 -","4","1","","Szulzewsky, Klaus; Pfeiffer, Wolf-Diethard; Bulka, Ehrenfried; Rossberg, Harald; Schulz, Burghard","The Crystal Structures of 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-thiadiazine and 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-selenadiazine","Acta Chemica Scandinavica","1993","47","","302","306","10.3891/acta.chem.scand.47-0302","","x-ray","0.71069","MoKα","","","0.067","","","","","","","","","","","","","","has coordinates","255691","2020-10-21","18:00:00",""
"1558953","11.673","0.002","17.598","0.003","11.376","0.002","90","","113.93","0.01","90","","2136","0.7","","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","Chiral Triptycene","","","- C28 H28 O2 -","- C28 H28 O2 -","- C112 H112 O8 -","4","1","","Isaksson, Roland; Oki, Michinori; Sandstrom, Jan; Suissa, M. Rachel; Toyota, Shinji","Chiral Triptycenes Owing their Chirality to Hindered Rotation of a Bridgehead Substituent. Crystal Structure, Chromatographic Enantiomer Resolution, and Circular Dichroism Spectra","Acta Chemica Scandinavica","1993","47","","570","576","10.3891/acta.chem.scand.47-0570","","x-ray","0.71073","MoKα","","","0.072","","","0.052","","","","","","","2.97","","","","has coordinates","255800","2020-10-21","18:00:00",""
"1559005","18.019","0.005","7.204","0.001","24.288","0.007","90","","99.26","0.02","90","","3111.7","1.3","","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1,7-Bis-[(N-benzylcarbamoyl)methyl]-1,4,7-triazaheptane-1,4,7-triacetic acid dihydrate","","","- C28 H41 N5 O10 -","- C28 N5 O10 -","- C112 N20 O40 -","4","1","","Ehnebom, Lisbeth; Pedersen, Berit Fjaertoft; Klaveness, Jo","Molecular and Crystal Structures of Two Chelating Agents for Use in MRI Contrast Agents","Acta Chemica Scandinavica","1993","47","","965","970","10.3891/acta.chem.scand.47-0965","","x-ray","0.71069","MoKα","","","0.034","","","0.031","","","","","","","1.61","","","","has coordinates","256222","2020-10-21","18:00:00",""
"1559035","7.303","0.002","11.143","0.002","11.338","0.001","90","","99.428","0.008","90","","910.2","0.3","","","293","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","Potassium hexathiocyanatoplatinate(IV) dihydrate, K2Pt(SCN)6.2H2O","","","- C6 H4 K2 N6 O2 Pt S6 -","- C6 H4 K2 N6 O2 Pt S6 -","- C12 H8 K4 N12 O4 Pt2 S12 -","2","0.5","","Arpalahti, Jorma; Holsa, Jorma; Sillanpaa, Reijo","Studies on Potassium Thiocyanatoplatinates. II. Crystal Structure of Potassium Hexathiocyanatoplatinate(IV) Dihydrate, K2Pt(SCN)6.2H2O","Acta Chemica Scandinavica","1993","47","","1078","1082","10.3891/acta.chem.scand.47-1078","","x-ray","0.71069","MoKα","","","0.025","","","0.033","","","","","","","1.37","","","","has coordinates","256298","2020-10-21","18:00:00",""
"1559077","11.717","0.002","8.283","0.002","13","0.001","90","","103.79","0.01","90","","1225.3","0.4","","","291","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","trans-Di(3-iodobenzoato)bis(1,3-diaminopropane)copper(II), C20H28CuI2N4O4","","","- C20 H28 Cu I2 N4 O4 -","- C20 Cu I2 N4 O4 -","- C40 Cu2 I4 N8 O8 -","2","0.5","","Sundberg, Markku R.; Sillanpaa, Reijo","Structure of trans-Di(3-iodobenzoato)bis(1,3-diaminopropane)copper(II), C20H28CuI2N4O4","Acta Chemica Scandinavica","1992","46","","34","37","10.3891/acta.chem.scand.46-0034","","x-ray","0.71069","MoKα","","","0.028","","","0.037","","","","","","","","","","","has coordinates","256402","2020-10-21","18:00:00",""
"1559220","7.755","0.008","15.415","0.009","8.095","0.008","90","","104","0.1","90","","939","1.5","","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Lead(II) Nitrate : 18-Crown-6","","","- C12 H24 N2 O12 Pb -","- C12 N2 O12 Pb -","- C24 N4 O24 Pb2 -","2","0.5","","Drew, Michael G. B.; Nicholson, David G.; Sylte, Ingebrigt; Vasudevan, Asha K.","The Crystal and Molecular Structure of Lead(II) Nitrate : 18-Crown-6","Acta Chemica Scandinavica","1992","46","","396","399","10.3891/acta.chem.scand.46-0396","","x-ray","0.71069","MoKα","","","0.058","","","0.062","","","","","","","","","","","has coordinates","256826","2020-10-21","18:00:00",""
"1559260","13.949","0.004","10.691","0.003","15.203","0.003","90","","110","0.02","90","","2130.5","1","","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Benzothiazolo[2,3-a]isoindolone","","","- C27 H23 N O S -","- C27 N O S -","- C108 N4 O4 S4 -","4","1","","Pihlaja, Kalevi; Sillanpaa, Reijo; Stajer, Geza; Frimpong-Manso, Samuel","X-Ray Study of a Pentacyclic Partially Saturated Benzothiazolo[2,3-a]isoindolone","Acta Chemica Scandinavica","1992","46","","1021","1023","10.3891/acta.chem.scand.46-1021","","x-ray","0.71069","MoKα","","","0.046","","","0.051","","","","","","","","","","","has coordinates","257174","2020-10-21","18:00:00",""
"1559490","8.446","0.004","32.903","0.003","9.671","0.002","90","","106.44","0.02","90","","2577.7","1.4","","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","threo-1-(4-Acetoxy-3,5-dimethoxyphenyl)-2-{2,6-dimethoxy-4- [(E)-propenyl]phenoxy}propyl Acetate","","","- C26 H32 O9 -","- C26 H32 O9 -","- C104 H128 O36 -","4","1","","Wallis, Adrian F. A.; Lundquist, Knut; Stomberg, Rolf","Stereochemistry of 1-Arylpropane-1,2-diol 2-Aryl Ethers. X-Ray Structures of the Diastereomers of 1-(4-Acetoxy-3,5-dimethoxyphenyl)-2-{2,6-dimethoxy-4- [(E)-propenyl]phenoxy}propyl Acetate","Acta Chemica Scandinavica","1991","45","","508","516","10.3891/acta.chem.scand.45-0508","","x-ray","0.71069","MoKα","","","0.046","","","0.051","0.068","","","","","","1.57","","","","has coordinates","259058","2020-11-10","08:18:40",""
"1559528","9.972","0.001","9.362","0.001","10.362","0.001","90","","104.14","0.01","90","","938.06","0.17","","","296","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Tl0.8Sn0.6Mo7O11","","","- Mo7 O11 Sn0.6 Tl0.8 -","- Mo7 O11 Sn0.61 Tl0.77 -","- Mo28 O44 Sn2.44 Tl3.08 -","4","1","","Dronskowski, Richard; Simon, Arndt","Synthesis and Crystal Structure of Tl0.8Sn0.6Mo7O11. Mo14O34 Clusters Containing Three Condensed Mo6 Octahedra","Acta Chemica Scandinavica","1991","45","","850","859","10.3891/acta.chem.scand.45-0850","","x-ray","0.71069","MoKα","","","0.051","","","0.046","","","","","","","","","","","has coordinates","259158","2020-11-17","10:21:55",""
"1560743","8.0883","0.0003","15.4352","0.0006","15.3363","0.0006","90","","92.076","0.002","90","","1913.4","0.13","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H18 Co O8 P2 Sr -","- C14 H14 Co O8 P2 Sr -","- C56 H56 Co4 O32 P8 Sr4 -","4","1","","Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru","Hydrothermal syntheses and characterization of phenyl- and benzyl-phosphonates and ethylene- and propylene-diphosphonates of cobalt(II), ACo(O3PR)2·xH2O and ACo(O3P-R-PO3)·2H2O (A = Ca, Sr, Ba; R = Ph, CH2Ph, -CH2CH2-, -CH2CH2CH2-)","Journal of Solid State Chemistry","2018","268","","115","122","10.1016/j.jssc.2018.08.031","","","0.71073","MoKα","","0.1102","0.0752","","","0.1568","0.1688","","","","","","1.247","","","","has coordinates,has disorder","262350","2021-03-02","08:26:39",""
"1560794","9.23614","0.00022","5.00555","0.00013","8.08948","0.00024","90","","92.8146","0.0014","90","","373.541","0.017","298","2","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Barium cobalt phosphate","","","- Ba Co2 O8 P2 -","- Ba Co2 O8 P2 -","- Ba2 Co4 O16 P4 -","2","0.5","","Zhuravlev, V.D.; Kellerman, D.G.; Tyutyunnik, A.P.; Chufarov, A.Yu.; Samigullina, R.F.","Synthesis, structure and magnetic properties of new γ-Ba(CoV1-xPxO4)2 x = 0.4‒0.5","Journal of Solid State Chemistry","2018","266","","174","180","10.1016/j.jssc.2018.07.017","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.11852","","1.82","","","","","","","has coordinates","262395","2021-03-03","10:33:11",""
"1563165","11.44","0.002","7.6431","0.0014","16.451","0.003","90","","95.999","0.006","90","","1430.5","0.4","298","2","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H12 O3 S -","- C18 H12 O3 S -","- C72 H48 O12 S4 -","4","1","","Chen, Junru; Chen, Xiaojie; Liu, Yanyan; Li, Yang; Zhao, Juan; Yang, Zhiyong; Zhang, Yi; Chi, Zhenguo","A color-tunable single-component luminescent molecule with multiple emission centers","Chemical Science","2021","","","","","10.1039/D1SC02094C","","","0.71075","MoKα","","0.1672","0.0715","","","0.117","0.1469","","","","","","1.015","","","","has coordinates","265818","2021-06-05","01:23:59",""
"1566170","15.323","0.003","3.8645","0.0007","17.224","0.003","90","","112.183","0.006","90","","944.4","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H9 N O2 -","- C13 H9 N O2 -","- C52 H36 N4 O8 -","4","1","","Marquise, Nada; Harford, Philip J.; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Gagez, Anne-Laure; Sablé, Sophie; Picot, Laurent; Thiéry, Valérie; Wheatley, Andrew E.H.; Gros, Philippe C.; Mongin, Florence","Synthesis of azafluorenones and related compounds using deprotocupration–aroylation followed by intramolecular direct arylation","Tetrahedron","2013","69","47","10123","10133","10.1016/j.tet.2013.09.030","","x-ray","0.71073","MoKα","","0.0774","0.0569","","","0.1524","0.1754","","","","","","1.054","","","","has coordinates","272272","2022-01-27","09:24:41",""
"1566624","11.164","0.003","5.0419","0.0008","15.9267","0.0017","90","","91.317","0.007","90","","896.2","0.3","138","","138","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1,4-bis(pentafuluoropentyl)benzene","","","- C16 H16 F10 O2 -","- C16 H16 F10 O2 -","- C32 H32 F20 O4 -","2","0.5","","Onishi, Katsuto; Ohtani, Shunsuke; Kato, Kenichi; Fa, Shixin; Sakata, Yoko; Akine, Shigehisa; Ogasawara, Moe; Asakawa, Hitoshi; Nagano, Shusaku; Takashima, Yoshinori; Mizuno, Motohiro; Ogoshi, Tomoki","State- and water repellency-controllable molecular glass of pillar[5]arenes with fluoroalkyl groups by guest vapors","Chemical Science","2022","","","","","10.1039/D2SC00828A","","","1.54178","CuKα","","0.0882","0.0785","","","0.234","0.2479","","","","","","1.083","","","","has coordinates","273744","2022-03-16","23:19:25",""
"1566626","23.6441","0.0011","22.5243","0.0011","31.147","0.0016","90","","95.0726","0.0019","90","","16522.9","1.4","90","","90","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","C75H80F30O10(C6H14)","","","- C81 H94 F30 O10 -","- C81 H94 F30 O10 -","- C648 H752 F240 O80 -","8","2","","Onishi, Katsuto; Ohtani, Shunsuke; Kato, Kenichi; Fa, Shixin; Sakata, Yoko; Akine, Shigehisa; Ogasawara, Moe; Asakawa, Hitoshi; Nagano, Shusaku; Takashima, Yoshinori; Mizuno, Motohiro; Ogoshi, Tomoki","State- and water repellency-controllable molecular glass of pillar[5]arenes with fluoroalkyl groups by guest vapors","Chemical Science","2022","","","","","10.1039/D2SC00828A","","","1.54178","CuKα","","0.1406","0.1042","","","0.2322","0.2552","","","","","","1.129","","","","has coordinates,has disorder","273744","2022-03-16","23:19:25",""
"1566647","9.2417","0.0001","7.4724","0.0001","10.297","0.0001","90","","109.687","0.0009","90","","669.521","0.014","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","ice XIII","","- D2 O -","- D1.92714 O -","- D53.96 O28 -","28","7","","Salzmann, C. G.; Radaelli, P. G.; Hallbrucker, A.; Mayer, E.; Finney, J. L.","The preparation and structures of hydrogen ordered phases of ice","Science","2006","311","","1758","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273841","2022-03-20","07:29:06",""
"1567181","26.371","0.007","5.2029","0.0013","8.904","0.002","90","","99.325","0.002","90","","1205.5","0.5","298","","298","","0","","0","","","","","4","P 1 21/a 1","-P 2yab","14","","Glutaric acid isonicotinamide","Form II","- C11 H14 N2 O5 -","- C11 H14 N2 O5 -","- C44 H56 N8 O20 -","4","1","","Linberg, Kevin; Röder, Bettina; Al-Sabbagh, Dominik; Emmerling, Franziska; Michalchuk, Adam A. L.","Controlling polymorphism in molecular cocrystals by variable temperature ball milling.","Faraday discussions","2023","241","0","178","193","10.1039/d2fd00115b","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","8.58","","","","","","","has coordinates","283357","2023-05-05","02:46:22",""
"1567273","9.24033","0.00013","7.46235","0.00011","10.29166","0.00013","90","","109.768","0.001","90","","667.839","0.017","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","ice XIII","","","- D2 O -","- D2 O -","- D56 O28 -","28","7","","Salzmann, C. G.; Rosu-Finsen, A.; Sharif, Z.; Radaelli, P.G.; Finney, J. L.","Detailed crystallographic analysis of the ice V to ice XIII hydrogen-ordering phase transition","The Journal of Chemical Physics","2021","154","","134504","","","","","","","","","","","","","","","","","","","","","","","has coordinates","276773","2022-07-16","05:55:25",""
"1568677","7.344","0.003","7.485","0.002","10.775","0.004","90","","91.06","0.03","90","","592.2","0.4","293","","293","","","","","","","","see text","5","P 1 21/a 1","-P 2yab","14","","","","- C4 H14 Cd Cl4 N2 -","- C4 H14 Cd Cl4 N2 -","- C8 H28 Cd2 Cl8 N4 -","2","0.5","","El Mostafa Khechoubi; A. Bendani; N Guyen Ba Chanh; Christian Courseille; Robert Duplessix; Michel Couzi","Thermal conformational changes in a bidimensional molecular composite material: A thermodynamic and crystallographic study of NH3-(CH2)4-NH3 CdCl4","Journal of Physics and Chemistry of Solids","1994","55","11","1277","1288","","","x-ray","0.71073","MoKα","","","0.0569","","","0.0575","","","","","","","","","","","has coordinates","281930","2023-03-17","14:48:48",""
"1568679","7.657","0.001","7.585","0.001","9.541","0.002","90","","101.56","0.01","90","","542.89","0.15","","","293","","","","","","","","see text","5","P 1 21/a 1","-P 2yab","14","","catena-(Propane-1,4-diammonium bis(μ~2~-chloro)-dichloro-cadmium(ii))","","- C4 H14 Cd Cl4 N2 -","- C2 H7 Cd0.5 Cl2 N -","- C8 H28 Cd2 Cl8 N4 -","4","1","","El Mostafa Khechoubi; A. Bendani; N Guyen Ba Chanh; Christian Courseille; Robert Duplessix; Michel Couzi","Thermal conformational changes in a bidimensional molecular composite material: A thermodynamic and crystallographic study of NH3-(CH2)4-NH3 CdCl4","Journal of Physics and Chemistry of Solids","1994","55","11","1277","1288","","","","","","","","0.0767","","","0.0767","","","","","","","","","","","has coordinates","281932","2023-03-17","14:49:18",""
"1568977","9.20152","0.000018","5.265935","0.00001","13.54116","0.00002","90","","90.0661","0.0001","90","","656.131","0.002","300","","300","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Co Na O P Sr -","- Co4 Na8 O32 P8 Sr4 -","- Co4 Na8 O32 P8 Sr4 -","1","0.25","","Bader, Vera P.; Langmann, Jan; Gegenwart, Philipp; Tsirlin, Alexander A.","Deformation of the triangular spin-1/2 lattice in Na2SrCo(PO4)2","Physical Review B","2022","106","5","054415-1","","10.1103/PhysRevB.106.054415","powder diffraction","x-ray","0.35424","","","","","","","","","","","","","","","","","","has coordinates","282880","2023-04-27","08:40:49",""
"2000046","21.323","0.006","10.26","0.003","10.271","0.003","90","","110.5","0.05","90","","2104.73","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H20 N2 S -","- C26 H20 N2 S -","- C104 H80 N8 S4 -","4","1","","Averbuch-Pouchot, Marie-Therese; Durif, André; Banister, Arthur J.; Durrant, James A.; Halfpenny, Joan","Notes. Crystal structure of bis(diphenylmethyleneamino) monosulphide, S(N=CPh~2~)~2~","Journal of the Chemical Society, Dalton Transactions","1982","","1","221","223","10.1039/dt9820000221","","","","","","","0.035","","","0.035","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000050","8.059","0.003","11.819","0.005","7.513","0.003","90","","110.12","0.05","90","","671.938","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Ethylene-1,2-diammonium monohydrogen phosphate","","","- C2 H11 N2 O4 P -","- C2 H11 N2 O4 P -","- C8 H44 N8 O16 P4 -","4","1","","Averbuch-Pouchot, M. T.; Durif, A.","Structures of ethylenediammonium monohydrogentetraoxophosphate(V) and ethylenediammonium monohydrogentetraoxoarsenate(V)","Acta Crystallographica, Section C: Crystal Structure Communications","1987","43","10","1894","1896","10.1107/S0108270187089716","","","","","","","0.03","","","0.03","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000072","10.32","0.008","12.39","0.004","11.219","0.002","90","","105.8","0.04","90","","1380.32","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 Cl4 O2 -","- C12 H10 Cl4 O2 -","- C48 H40 Cl16 O8 -","4","1","","Coquerel, Yoann; Blanc, Aurélien; Deprés, Jean-Pierre; Greene, Andrew E.; Averbuch-Pouchot, Marie-Thérèse; Philouze, Christian; Durif, André","(1R,2s,3S,6R,9S)-5,5,10,10-Tetrachloro-2-methyltricyclo[7.2.0.03,6]undec-7-ene-4,11-dione","Acta Crystallographica, Section C: Crystal Structure Communications","2000","56","12","1480","1481","10.1107/s0108270100012361","","","","","","","0.05","","","0.05","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000085","13.378","0.008","11.574","0.006","8.687","0.003","90","","103.15","0.03","90","","1309.8","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C4 H32 Cu N4 O24 P6 -","- C4 H44 Cu N4 O48 P12 -","- C8 H88 Cu2 N8 O96 P24 -","2","0.5","","Durif, A.; Averbuch-Pouchot, M. T.","Crystal chemistry of cyclo-hexaphosphates. IV. Structures of tris(ethylenediammonium) cyclo-hexaphosphate dihydrate and copper bis(ethylenediammonium) cyclo-hexaphosphate hexahydrate","Acta Crystallographica, Section C: Crystal Structure Communications","1989","45","12","1884","1887","10.1107/s0108270189004579","","","","","","","0.032","","","0.032","","","","","","","","","","","has coordinates","199750","2020-10-21","18:00:00",""
"2000089","16.804","0.01","23.883","0.01","10.623","0.008","90","","109.66","0.02","90","","4014.8","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H56 N6 O22 P6 -","- C12 H56 N6 O22 P6 -","- C48 H224 N24 O88 P24 -","4","1","","Averbuch-Pouchot, M. T.; Durif, A.","Crystal chemistry of cyclo-hexaphosphates. XVIII. Structures of ethylammonium cyclo-hexaphosphate tetrahydrate and hydrazinium(1+) hydrazinium(2+) cyclo-hexaphosphate","Acta Crystallographica, Section C: Crystal Structure Communications","1991","47","8","1579","1583","10.1107/s0108270191001415","","","","","","","0.035","","","0.035","","","","","","","","","","","has coordinates","199750","2020-10-21","18:00:00",""
"2000093","7.594","0.003","17.346","0.004","14.106","0.002","90","","98.74","0.02","90","","1836.54","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H19 N5 P2 -","- C17 H19 N5 P2 -","- C68 H76 N20 P8 -","4","1","","Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.","Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions","The Journal of Organic Chemistry","1999","64","10","3492","3497","10.1021/jo982245o","","","","","","","0.033","","","0.033","","","","","","","","","","","has coordinates","219250","2020-10-21","18:00:00",""
"2000095","14.128","0.005","14.927","0.006","17.277","0.009","90","","110.7","0.04","90","","3408.31","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C37 H29 Co2 N O4 P2 -","- C37 H29 Co2 N O4 P2 -","- C148 H116 Co8 N4 O16 P8 -","4","1","","Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.","Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions","The Journal of Organic Chemistry","1999","64","10","3492","3497","10.1021/jo982245o","","","","","","","0.037","","","0.037","","","","","","","","","","","has coordinates","219250","2020-10-21","18:00:00",""
"2000098","14.148","0.004","13.928","0.004","17.126","0.003","90","","111.54","0.02","90","","3139.05","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H25 Co2 N5 O4 P2 -","- C29 H25 Co2 N5 O4 P2 -","- C116 H100 Co8 N20 O16 P8 -","4","1","","Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.","Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions","The Journal of Organic Chemistry","1999","64","10","3492","3497","10.1021/jo982245o","","","","","","","0.021","","","0.021","","","","","","","","","","","has coordinates","219250","2020-10-21","18:00:00",""
"2000158","21.713","0.005","13.524","0.004","7.259","0.002","90","","95.2","0.02","90","","2122.8","1","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C29 H21 N O -","- C29 H21 N O -","- C116 H84 N4 O4 -","4","1","AS0496","Mori, Y.; Maeda, K.","2,4,4,6-Tetraphenyl-3(4<i>H</i>)-pyridinone","Acta Crystallographica Section C","1991","47","12","2682","2683","10.1107/S0108270191007485","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000194","11.194","0.004","10.944","0.003","14.815","0.005","90","","95.01","0.03","90","","1808","1","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C15 H28 O4 Si -","- C15 H28 O4 Si -","- C60 H112 O16 Si4 -","4","1","CR0344","Ammon, H. L.; DeShong, P.; Simpson, D.","Structure of a lactone, (3α,4α,6α)-4-(<i>tert</i>-butyldimethylsiloxy)-3,4,5,6-tetrahydro-6-methyl-3-(2-oxopropyl)-2<i>H</i>-pyran-2-one","Acta Crystallographica Section C","1991","47","11","2482","2484","10.1107/S0108270191006030","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000267","7.382","0.001","21.494","0.004","8.032","0.001","90","","94.26","0.01","90","","1270.9","0.3","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Cl Cu N4 O3.5 -","- C10 H10 Cl Cu N4 O3.5 -","- C40 H40 Cl4 Cu4 N16 O14 -","4","1","AB0184","Mathews, I. I.; Manohar, H.","Structure of a monochloro bridged polymeric copper(II)-di-2-pyridylamine complex: [Cu(dipyam)Cl(NO~3~)].0.5H~2~O","Acta Crystallographica Section C","1991","47","8","1621","1624","10.1107/S0108270191001233","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000348","7.408","0.003","14.318","0.005","7.188","0.003","90","","112.59","0.04","90","","703.9","0.5","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H12 Cl4 N4 Sn -","- C8 H12 Cl4 N4 Sn -","- C16 H24 Cl8 N8 Sn2 -","2","0.5","NA1002","Casellato, U.; Graziani, R.; Sánchez González, A.","Structure of dichlorobis(2-chloroimidazole)dimethyltin(IV)","Acta Crystallographica Section C","1992","48","12","2125","2126","10.1107/S0108270192003822","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000387","26.296","0.003","12.304","0.004","19.061","0.002","90","","103.63","0.02","90","","5993","2","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C71 H67 B Fe O2 P4 -","- C47 H47 Fe O2 P4 -","- C188 H188 Fe4 O8 P16 -","4","1","LI1002","Linn, K.; Masi, D.; Mealli, C.; Bianchini, C.; Peruzzini, M.","Structure of (4-pentynoato-<i>O</i>,<i>O</i>'){tris[2-(diphenylphosphino)ethyl]phosphine}iron(II) tetraphenylborate","Acta Crystallographica Section C","1992","48","12","2220","2222","10.1107/S0108270192004554","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000432","11.676","0.002","24.819","0.007","12.344","0.003","90","","113.74","0.02","90","","3274.4","1.4","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C12 H20 Br N4 O3 S -","- C12 H20 Br N4 O2.5 S -","- C96 H160 Br8 N32 O20 S8 -","8","2","AS0586","Hu, N.-H.; Zhang, S.-L.","Structure of thiamine bromide sesquihydrate","Acta Crystallographica Section C","1992","48","11","1951","1954","10.1107/S0108270192002257","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","208452","2020-10-21","18:00:00",""
"2000435","18.508","0.007","5.228","0.002","6.342","0.003","90","","93.22","0.03","90","","612.7","0.4","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C7 H6 O3 -","- C7 H7 O3 -","- C28 H28 O12 -","4","1","CR0372","Heath, E. A.; Singh, P.; Ebisuzaki, Y.","Structure of <i>p</i>-hydroxybenzoic acid and <i>p</i>-hydroxybenzoic acid-acetone complex (2/1)","Acta Crystallographica Section C","1992","48","11","1960","1965","10.1107/S0108270192002361","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000436","24.093","0.008","7.232","0.002","9.699","0.002","90","","92.47","0.02","90","","1688.4","0.8","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C17 H18 O7 -","- C17 H18 O7 -","- C68 H72 O28 -","4","1","CR0372","Heath, E. A.; Singh, P.; Ebisuzaki, Y.","Structure of <i>p</i>-hydroxybenzoic acid and <i>p</i>-hydroxybenzoic acid-acetone complex (2/1)","Acta Crystallographica Section C","1992","48","11","1960","1965","10.1107/S0108270192002361","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000465","16.525","0.002","15.386","0.002","19.751","0.002","90","","113.82","0.01","90","","4594","1","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H21 N O2 S Sn -","- C25 H21 N O2 S Sn -","- C200 H168 N8 O16 S8 Sn8 -","8","2","AS0579","Ng, S. W.; Kumar Das, V. G.","Structure of triphenyltin 2-(4-pyridylthio)acetate","Acta Crystallographica Section C","1992","48","11","2025","2026","10.1107/S0108270192002609","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000529","16.398","0.007","8.128","0.003","7.937","0.003","90","","92.13","","90","","1057.1","0.7","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 O2 S2 -","- C10 H12 O2 S2 -","- C40 H48 O8 S8 -","4","1","PA0269","Ginderow, D.; Mornon, J.-P.; Erdelmeier, I.; Dansette, P.; Mansuy, D.","Structure du 2,3-dihydro-3-(2-hydroxyéthylthio)benzo[<i>b</i>]thiophène 1-oxyde, C~10~H~12~O~2~S~2~","Acta Crystallographica Section C","1992","48","10","1808","1810","10.1107/S0108270192002002","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000591","23.365","0.003","10.688","0.001","20.542","0.002","90","","100.03","0.01","90","","5051.5","1","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C40 H26 Cl12 Cu2 N2 O8 -","- C40 H26 Cl12 Cu2 N2 O8 -","- C160 H104 Cl48 Cu8 N8 O32 -","4","1","AS0583","Kawata, T.; Ohba, S.; Tokii, T.; Muto, Y.; Kato, M.","Structures of aqua and pyridine adducts of dimeric copper(II) 2-chlorobenzoate","Acta Crystallographica Section C","1992","48","9","1590","1594","10.1107/S010827019200129X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206336","2020-10-21","18:00:00",""
"2000620","12.62","0.003","15.719","0.005","9.945","0.002","90","","90.14","0.02","90","","1972.8","0.9","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C8 H24 Cl6 N2 Te -","- C8 H24 Cl6 N2 Te -","- C32 H96 Cl24 N8 Te4 -","4","1","AS0574","Ishida, H.; Kashino, S.","Structure of <i>tert</i>-butylammonium hexachlorotellurate(IV)","Acta Crystallographica Section C","1992","48","9","1673","1675","10.1107/S0108270191015147","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","199682","2020-10-21","18:00:00",""
"2000744","8.53","0.002","11.928","0.001","12.118","0.003","90","","103.67","0.02","90","","1198","0.4","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H38 Cl2 Co N2 O12 -","- C10 H38 Cl2 Co N2 O12 -","- C20 H76 Cl4 Co2 N4 O24 -","2","0.5","AS0565","Chen, X.-M.; Mak, T. C. W.","Structure of <i>trans</i>-tetraaquabis(trimethylammonioacetato)cobalt(II) dichloride tetrahydrate","Acta Crystallographica Section C","1992","48","7","1211","1214","10.1107/S0108270191014373","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000762","12.456","0.002","6.735","0.004","16.135","0.003","90","","92.17","0.01","90","","1352.6","0.9","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","GE0291","Kaufmann, M.; Berger, D.; Härter, R.; Hirschi, D.; Bürgi, H.-B.; Raselli, A.; Röhr, C.","Structure of 1-morpholinoanthraquinone at 110 K","Acta Crystallographica Section C","1992","48","7","1262","1265","10.1107/S0108270191014336","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000766","13.82","0.002","6.205","0.001","17.55","0.003","90","","106.06","0.01","90","","1446.2","0.4","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C12 H20 I N O2 -","- C12 H20 I N O2 -","- C48 H80 I4 N4 O8 -","4","1","CD0061","Friesen, R. W.; Kolaczewska, A. E.; Lough, A. J.","<i>trans</i>-5-(<i>n</i>-Heptyl)-4-(1-iodovinyl)-2-oxazolidinone and <i>syn</i>-[4-cyclohexyl-2-iodo-3-(<i>N</i>-tosylamino)-1-buten-4-yl] acetate","Acta Crystallographica Section C","1992","48","7","1275","1279","10.1107/S0108270191014130","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","190730","2020-10-21","18:00:00",""
"2000767","12.233","0.003","13.733","0.003","14.169","0.006","90","","112.75","0.03","90","","2195.1","1.3","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C19 H26 I N O4 S -","- C19 H26 I N O4 S -","- C76 H104 I4 N4 O16 S4 -","4","1","CD0061","Friesen, R. W.; Kolaczewska, A. E.; Lough, A. J.","<i>trans</i>-5-(<i>n</i>-Heptyl)-4-(1-iodovinyl)-2-oxazolidinone and <i>syn</i>-[4-cyclohexyl-2-iodo-3-(<i>N</i>-tosylamino)-1-buten-4-yl] acetate","Acta Crystallographica Section C","1992","48","7","1275","1279","10.1107/S0108270191014130","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","190713","2020-10-21","18:00:00",""
"2000780","12.252","0.003","9.176","0.002","11.974","0.008","90","","115.06","0.03","90","","1219.4","1","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C12 H32 Cl8 N4 O2 Os -","- C12 H32 Cl8 N4 O2 Os -","- C24 H64 Cl16 N8 O4 Os2 -","2","0.5","AB0247","Arrieta, J. M.; Germain, G.; Vlassi, M.; Craciunescu, D. G.; Parrondo Iglesias, E.; Debaerdemaeker, T.","Bis[2-(2-hydroxyethyl)piperazinium] hexachloroosmate(IV) dichloride","Acta Crystallographica Section C","1992","48","7","1305","1307","10.1107/S0108270191014117","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2000789","9.149","0.002","10.934","0.001","12.064","0.001","90","","93.14","0.01","90","","1205","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C10 H18 N2 O3 -","- C10 H18 N2 O3 -","- C40 H72 N8 O12 -","4","1","AS0509","Okabe, N.; Tatsumi, M.; Sasaki, Y.","Structure of <small>DL</small>-desthiobiotin","Acta Crystallographica Section C","1992","48","7","1326","1327","10.1107/S010827019101380X","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000825","13.854","0.001","9.071","0.001","11.808","0.004","90","","92.14","0.01","90","","1482.9","0.5","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H21 N3 O2 -","- C14 H21 N3 O2 -","- C56 H84 N12 O8 -","4","1","AS0547","Yamaguchi, K.; Matsumura, G.; Tanno, M.; Sueyoshi, S.; Miyata, N.","Structure of <i>N</i>-aryl-<i>N</i>-nitrosoureas","Acta Crystallographica Section C","1992","48","6","1051","1054","10.1107/S0108270191012908","","","1.5405","Cu","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000862","7.741","0.001","21.032","0.011","6.05","0.001","90","","99.43","0.01","90","","971.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","9,10-Epoxy-3-hydroxy-1-oxatricyclo[4.4.0^2,9^.0^3,8^]dodecane compound (4)","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","KA1000","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Girardot, S.; Caubère, P.","Structural aspects of reactions based on `aggregative activation': structures of 3-oxatricyclo[6.3.0.0^2,7^]undec-6-en-1-ol and 6,7-epoxy-3-oxatricyclo[6.4.0.0^2,7^]dodecan-1-ol","Acta Crystallographica Section C","1992","48","6","1155","1160","10.1107/S0108270192002993","","","1.54178","CuKα","","","0.0475","","","0.0787","","","","","1.0944","1.0944","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000962","7.743","0.002","12.43","0.005","12.776","0.005","90","","90.52","0.03","90","","1229.6","0.8","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C13 H12 N2 O S -","- C13 H12 N2 O S -","- C52 H48 N8 O4 S4 -","4","1","BR0004","Tari, L. W.; McKinnon, D. M.; Secco, A. S.","Structure of 5-(1-methyl-2,1-benzisothiazol-3-ylideneamino)-2,4-pentadienal","Acta Crystallographica Section C","1992","48","4","683","686","10.1107/S0108270191010570","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000979","14.389","0.009","13.782","0.01","8.615","0.007","90","","123.01","0.06","90","","1433","2","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C24 H54 P2 Pd -","- C24 H54 P2 Pd -","- C48 H108 P4 Pd2 -","2","0.5","AS0519","Tanaka, M.","Structure of bis(tri-<i>tert</i>-butylphosphine)palladium(0)","Acta Crystallographica Section C","1992","48","4","739","740","10.1107/S0108270191010491","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001005","6.918","0.001","12.27","0.001","9.283","0.001","90","","104.13","0.02","90","","764.14","0.17","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C18 H16 O4 S2 -","- C18 O4 S2 -","- C36 O8 S4 -","2","0.5","AL0473","Olivé, J. L.; Saaedan, A.; El Amoudi, M. S.; Geneste, P.; Rambaud, J.; Declercq, J.-P.","Structure of the head-to-tail <i>cis</i>-<i>anti</i>-<i>cis</i> photodimer of 2-methylbenzo[<i>b</i>]thiophene 1,1-dioxide","Acta Crystallographica Section C","1992","48","3","501","503","10.1107/S0108270191009198","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001059","8.365","0.008","22.654","0.002","13.436","0.005","90","","107.7","0.05","90","","2426","3","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C4 H2 Cl10 N8 O2 P6 -","- C4 H2 Cl10 N8 O2 P6 -","- C16 H8 Cl40 N32 O8 P24 -","4","1","GE0272","van Bolhuis, F.; Meetsma, A.; van de Grampel, J. C.; Brandt, K.","Structure of 2,2'-(2,4-pyrimidinediyldioxy)bis(2,4,4,6,6-pentachloro-1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphorine) at 130 K","Acta Crystallographica Section C","1992","48","2","337","339","10.1107/S0108270191009447","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001062","14.47","0.03","19.749","0.002","17.5","0.02","90","","110.6","0.1","90","","4681","12","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C49 H56 Fe N6 O4 -","- C49 H56 Fe N6 O4 -","- C196 H224 Fe4 N24 O16 -","4","1","MU0257","Goubitz, K.; Schenk, H.","6-(2,6-Dimethylphenylimino)-1,1,1-tris[(2,6-dimethylphenyl)isocyano]-10-methoxycarbonyl-8-oxo-2,5-bis(2-propyl)-9-oxa-2,5-diaza-1-ferratricyclo[5.2.1.0^4,10^]dec-2-ene","Acta Crystallographica Section C","1992","48","2","359","361","10.1107/S0108270191009472","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001070","8.702","0.004","12.063","0.002","9.711","0.004","90","","115.1","0.02","90","","923.1","0.6","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C10 H8 N2 O3 -","- C10 H8 N2 O3 -","- C40 H32 N8 O12 -","4","1","ST0533","Grossie, D. A.; Turnbull, K.","5-Hydroxy-5-methylsydno[3,4-<i>a</i>]indole","Acta Crystallographica Section C","1992","48","2","377","379","10.1107/S0108270191009125","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001119","8.403","0.004","5.405","0.003","33.005","0.016","90","","91.07","0.04","90","","1498.8","1.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C18 H18 N2 O2 -","- C18 H19 N2 O2 -","- C72 H76 N8 O8 -","4","1","AS0500","Ishida, T.; Negi, A.; In, Y.; Inoue, M.","Structure of <i>N</i>-(indol-3-ylethyl)-4-hydroxyphenylacetamide","Acta Crystallographica Section C","1992","48","1","193","194","10.1107/S0108270191009599","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001144","13.381","0.012","8.91","0.009","9.178","0.009","90","","101.27","0.09","90","","1073.1","1.8","80","1","80","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","di-μ-chlorobis[trichloro(allyl acetate-O)]dititanium(IV)","","- C10 H16 Cl8 O4 Ti2 -","- C10 H16 Cl8 O4 Ti2 -","- C20 H32 Cl16 O8 Ti4 -","2","0.5","KA1046","Lis, T.; Utko, J.; Sobota, P.","Structure of di-μ-chloro-bis[(allyl acetate-<i>O</i>)trichlorotitanium(IV)] at 80 K","Acta Crystallographica Section C","1993","49","12","2089","2091","10.1107/S0108270193006110","","","0.7093","MoKα","","","0.0258","","","0.028","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001150","12.76","0.006","5.319","0.004","14.933","0.008","90","","91.05","0.04","90","","1013.3","1.1","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C16 H22 Co O14 -","- C16 H22 Co O14 -","- C32 H44 Co2 O28 -","2","0.5","HU1032","Kariuki, B. M.; Jones, W.","Structure of hexaaquacobalt hydrogen phthalate","Acta Crystallographica Section C","1993","49","12","2100","2102","10.1107/S0108270193005918","","","0.71069","MoKα","","","0.056","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001185","8.431","0.001","20.452","0.003","10.615","0.003","90","","111.42","0.01","90","","1703.9","0.6","298","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H25.44 Br N3 O1.72 -","- C16 H25.44 Br N3 O1.72 -","- C64 H101.76 Br4 N12 O6.88 -","4","1","HA1050","Farrugia, L. J.; Lovatt, P. A.; Peacock, R. D.","Structure of <i>N</i>^1^-(3-phenoxypropyl)-4,7-diaza-1-azoniatricyclo[5.2.1.0^4,10^]decane bromide hydrate","Acta Crystallographica Section C","1993","49","12","2164","2165","10.1107/S0108270193005475","","","0.71069","MoKα","","","0.048","","","0.041","","","","","1.33","1.33","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2001197","17.494","0.007","11.548","0.005","22.21","0.01","90","","93.94","0.01","90","","4476","3","293","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","[tris(aminoethylaminomethyl)amine](trisethylendiamine) dicobalt(III)di(cyclo-triphosphate)octahydrate","","- C17.16 H65.24 Co2 N13.72 O26 P6 -","- C19 H70 Co2 N20 O29 P7 -","- C76 H280 Co8 N80 O116 P28 -","4","1","AL1051","Bacchi, A.; Ferranti, F.; Pelizzi, G.","Structure of two encapsulated cobalt(III) complexes containing <i>cyclo</i>-triphosphate","Acta Crystallographica Section C","1993","49","11","1885","1892","10.1107/S0108270193004263","","","0.7107","Mo/Kα","","0.1404","0.0654","","","0.2034","","","","0.992","1.336","1.336","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001240","12.498","0.004","18.723","0.005","12.68","0.003","90","","100.87","0.02","90","","2913.9","1.4","288","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C33 H28 O8 -","- C33 H28 O8 -","- C132 H112 O32 -","4","1","CD1019","Bormann, L. M.; Baughman, R. G.; Mumba, P.; Meloan, C. E.","Structure of pentaerythritol tetrabenzoate","Acta Crystallographica Section C","1993","49","11","1982","1985","10.1107/S0108270193003579","","","1.54184","CuKα","","","0.052","","","0.033","","","","","2.48","2.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001249","13.317","0.005","7.624","0.001","19.965","0.008","90","","104.15","0.02","90","","1965.5","1.1","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C21 H24 O2 S2 -","- C21 H24 O2 S2 -","- C84 H96 O8 S8 -","4","1","SH1046","Albert, B.; Jansen, M.; Güther, R.; Vögtle, F.","2,11-Dithia[3.3]metacyclophane-9-carboxylic acid <i>tert</i>-butyl ester","Acta Crystallographica Section C","1993","49","11","2002","2003","10.1107/S0108270193004561","","","0.71069","MoKα","","","0.0558","","","0.051","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001251","17.03","0.005","15.03","0.004","8.874","0.004","90","","92.87","","90","","2268.5","1.4","293","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C26 H20 N2 O2 Se2 -","- C26 H20 N2 O2 Se2 -","- C104 H80 N8 O8 Se8 -","4","1","PA1036","Warin, V.; Guelzim, A.; Baert, F.; Galet, V.; Houssin, R.; Lesieur, D.","Structure of bis(2-amino-5-benzoylphenyl) diselenide","Acta Crystallographica Section C","1993","49","11","2005","2007","10.1107/S0108270193003506","","","0.7107","MoKα","","","0.04","","","0.04","","","","","1.93","1.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001255","14.767","0.001","8.243","0.002","15.13","0.001","90","","105.36","0.01","90","","1775.9","0.5","294","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C20 H14 Cl2 O4 -","- C20 H14 Cl2 O4 -","- C80 H56 Cl8 O16 -","4","1","BR1036","Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.","Crystal structure and photochemistry of dimethyl 9,10-dichloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1993","49","11","2014","2018","10.1107/S0108270193004445","","","1.5418","CuKα","","","0.046","","","0.064","","","","","1.62","1.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001263","9.12","0.003","15.407","0.001","10.573","0.003","90","","103.96","0.01","90","","1441.8","0.6","293","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","PA1047","Wallet, J.-C.; Gaydou, E. M.; Mas, M.; Molins, E.; Miravitlles, C.","2-(2,3-Dimethoxyphenyl)-6-hydroxy-4<i>H</i>-1-benzopyran-4-one (6-hydroxy-2',3'-dimethoxyflavone)","Acta Crystallographica Section C","1993","49","11","2030","2032","10.1107/S0108270193005177","","","0.71073","MoKα","","","0.053","","","0.084","","","","","3","3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001329","6.644","0.002","14.531","0.003","9.413","0.001","90","","103.57","0.02","90","","883.4","0.3","296","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C8 H9 Cl N4 -","- C8 H9 Cl N4 -","- C32 H36 Cl4 N16 -","4","1","OH1021","Okabe, N.; Fukuda, H.; Nakamura, T.","Structure of hydralazine hydrochloride","Acta Crystallographica Section C","1993","49","10","1844","1845","10.1107/S0108270193003762","","","0.71069","MoKα","","","0.047","","","0.056","","","","","1.61","1.61","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001392","15.158","0.004","8.435","0.002","7.277","0.001","90","","103.52","0.01","90","","904.6","0.3","138","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","CD1028","Xiao, G.; van der Helm, D.; Goerlitz, F. H.; Hider, R. C.; Dobbin, P. S.","Structures of 3-hydroxy-1-(2-methoxyethyl)-2-methyl-4-pyridinone, its hydrochloride and 1-ethyl-3-hydroxy-2-methyl-4-pyridinone hydrochloride hydrate","Acta Crystallographica Section C","1993","49","9","1646","1649","10.1107/S0108270193001313","","","1.54178","CuKα","","","0.036","","","0.047","","","","","1.8","1.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001396","15.531","0.004","18.136","0.006","16.895","0.004","90","","114.67","0.02","90","","4324","2","150","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C17 H36 F3 N O3 S -","- C17.5 H38.5 F3 N O3 S -","- C140 H308 F24 N8 O24 S8 -","8","2","HA1038","Blake, A. J.; Radek, C.; Schröder, M.","Tetra(<i>n</i>-butyl)ammonium trifluoromethanesulfonate","Acta Crystallographica Section C","1993","49","9","1652","1654","10.1107/S0108270193001544","","","0.71073","MoKα","","","0.0557","","","0.0661","","","","","1.342","1.342","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001404","15.776","0.013","8.646","0.003","14.087","0.005","90","","96.05","0.05","90","","1910.8","1.8","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C44 H26 Cl4 N4 -","- C44 H26 Cl4 N4 -","- C88 H52 Cl8 N8 -","2","0.5","AB1038","Hökelek, T.; Ülkü, D.; Gündüz, N.; Hayvali, M.; Kiliç, Z.","5,10,15,20-Tetrakis(<i>p</i>-chlorophenyl)porphyrin","Acta Crystallographica Section C","1993","49","9","1667","1670","10.1107/S0108270193000782","","","1.5418","CuKα","","","0.07","","","0.088","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001409","15.87","0.001","8.061","0.001","14.879","0.001","90","","112.46","0.01","90","","1759.1","0.3","297","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(1R^*^,6aS^*^,14aS^*^,14bR^*^,13E)-6a,14c-Epoxy-1,14a-dimethyl- 1,2,6,6a,7,8,9,10,11,12-decahydro-14aH-3-oxa cyclobuta[a]furo[2,3,4-b,c]cyclopentadecene-4,5-dione","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","AS1054","Yamaguchi, K.; Takeda, K.; Shimotani, A.; Yoshii, E.","Cyclobutane structures fused to a 13-membered ring","Acta Crystallographica Section C","1993","49","9","1680","1683","10.1107/S0108270193002677","","","1.5405","CuKα~1~","","","0.0485","","","0.0478","","","","","1.493","1.493","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2001425","25.05","0.03","6.203","0.002","15.89","0.02","90","","109.6","0.1","90","","2326","4","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C28 H20 N2 O2 S2 -","- C28 H20 N2 O2 S2 -","- C112 H80 N8 O8 S8 -","4","1","MU1033","Fawcett, J.; Kemmitt, R. D. W.; Russell, D. R.; Serindag, O.; Gok, Y.","Structure of <i>o</i>,<i>o</i>'-bis(1-oxo-2,3-dihydro-1<i>H</i>-2-benzopyrrol-2-yl)diphenyl disulfide","Acta Crystallographica Section C","1993","49","8","1434","1436","10.1107/S0108270193003385","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001455","7.3138","0.0005","10.6101","0.0006","21.2238","0.0011","90","","94.443","0.005","90","","1642.02","0.17","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","rel(1S,2R,4R,6S,9S,10R,11S)-4-methoxycarbonyl-1-methyl-tricyclo [7.4.0.0^2,6^]tridec-7-ene-10,11-diol-4,2-carbolactone monohydrate","","- C17 H24 O7 -","- C17 H24 O7 -","- C68 H96 O28 -","4","1","CD1039","Michel, A. G.; Drouin, M.","Functionalized hydrocarbons with condensed ring skeletons. XIII. A substituted 1-methyltricyclo[7.4.0.0^2,6^]tridec-7-ene","Acta Crystallographica Section C","1993","49","8","1500","1502","10.1107/S0108270193001726","","","0.7093","MolybdenumKα","","0.073","0.04","","0.037","0.033","","","","","1.62","1.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001476","9.7659","0.0006","21.6128","0.0013","11.104","0.0007","90","","110.56","0.01","90","","2194.4","0.3","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C56 H44 As2 N4 -","- C56 H44 As2 N4 -","- C112 H88 As4 N8 -","2","0.5","CD1008","Aquino, M. A. S.; Crutchley, R. J.; Lee, F. L.; Gabe, E. J.; Bensimon, C.","Structure of 1,4-benzenedicyanamide dianion derivatives","Acta Crystallographica Section C","1993","49","8","1543","1547","10.1107/S0108270193001428","","","0.7093","MoKα","","","0.04","","","0.034","","","","","1.29","1.29","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001486","14.117","0.002","11.04","0.002","8.828","0.001","90","","106.8","0.02","90","","1317.1","0.4","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C6 H22 Cl2 N4 Ni O2 -","- C6 H22 Cl2 N4 Ni O2 -","- C24 H88 Cl8 N16 Ni4 O8 -","4","1","NA1022","Marzotto, A.; Clemente, D. A.; Valle, G.","Structure of aquachloro[tris(2-aminoethyl)amine]nickel(II) chloride monohydrate","Acta Crystallographica Section C","1993","49","7","1252","1255","10.1107/S0108270193001416","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001520","25.008","0.004","14.045","0.002","17.378","0.003","90","","112.39","0.01","90","","5643.7","1.6","293","","293","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","iucr: bis-μ-(2-{[(diphenylphosphino)propyl](phenyl)phosphino}phenyl)- 1κC^1^:2κ^2^P,P';1κ^2^P,P':2κC^1^-μ-hydroxo-diplatinum(II) tetrafluoroborate bis(dichloromethane) solvate author: μHydroxy-bis(1-(diphenylphosphino)-3-(μ-ortho-phenyl, phenylphosphino)propane platinum(II)) tetrafluoroborate disolvate (solvent=dichloromethane).","","- C56 H55 B Cl4 F4 O P4 Pt2 -","- C56 H55 B Cl4 F4 O P4 Pt2 -","- C224 H220 B4 Cl16 F16 O4 P16 Pt8 -","4","1","CD1032","Bennett, M. A.; Berry, D. E.; Beveridge, K. A.; Browning, J.; Russow, M. P.","μ-Hydroxo diplatinum(II) complex containing bridging cyclometallated 1,3-bis(diphenylphosphino)propane as the tetrafluoroborate salt","Acta Crystallographica Section C","1993","49","7","1320","1322","10.1107/S0108270193000010","","","0.71069","MoKα","","","0.0597","","","0.0619","","","","","1.8532","1.8532","","","","","has coordinates","202202","2020-10-21","18:00:00",""
"2001558","9.609","0.002","5.087","0.001","15.923","0.002","90","","91.74","0.01","90","","778","0.2","296","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H9 N3 O -","- C7 H9 N3 O -","- C28 H36 N12 O4 -","4","1","OH1004","Okabe, N.","Structure of 1-phenylsemicarbazide","Acta Crystallographica Section C","1993","49","7","1402","1404","10.1107/S0108270193000198","","","0.71069","MoKα","","","0.034","","","0.06","","","","","1.96","1.96","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001564","5.886","0.003","10.566","0.006","6.146","0.003","90","","111.6","0.04","90","","355.4","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- B H4 Na O4 -","- B H4 Na O4 -","- B4 H16 Na4 O16 -","4","1","MU1036","Csetenyi, L. J.; Glasser, F. P.; Howie, R. A.","Structure of sodium tetrahydroxyborate","Acta Crystallographica Section C","1993","49","6","1039","1041","10.1107/S0108270193000058","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001583","25.744","0.003","7.889","0.001","7.442","0.001","90","","91.61","0.01","90","","1510.8","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C34 H20 N6 O12 -","- C34 H20 N6 O12 -","- C68 H40 N12 O24 -","2","0.5","CR1016","Zacharias, D. E.","Structures of three electron donor‒acceptor complexes of dibenz[<i>a</i>,<i>h</i>]anthracene (DBA)","Acta Crystallographica Section C","1993","49","6","1082","1087","10.1107/S0108270192013325","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2001585","19.991","0.004","8.324","0.002","7.821","0.002","90","","105.06","0.02","90","","1256.8","0.5","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C36 H18 O6 -","- C36 H18 O6 -","- C72 H36 O12 -","2","0.5","CR1016","Zacharias, D. E.","Structures of three electron donor‒acceptor complexes of dibenz[<i>a</i>,<i>h</i>]anthracene (DBA)","Acta Crystallographica Section C","1993","49","6","1082","1087","10.1107/S0108270192013325","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2001603","10.599","0.002","6.861","0.001","11.889","0.004","90","","100.6","0.2","90","","849.8","0.7","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C5 H6 O2 S3 Se -","- C5 H6 O2 S3 Se -","- C20 H24 O8 S12 Se4 -","4","1","NA1018","Molins, E.; Veciana, J.; Miravitlles, C.","Structure of 2-selenoxoperhydro-2<i>H</i>-thieno[3,4-<i>d</i>][1,3]dithiole 5,5-dioxide","Acta Crystallographica Section C","1993","49","6","1129","1130","10.1107/S0108270193001799","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001622","15.143","0.003","18.277","0.004","15.191","0.003","90","","109.55","0.02","90","","3962","1.5","293","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Racemic Cobalt(III)sepulchrate trichloride monohydrate","(1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]eicosane)cobalt(III)trichloride monohydrate","","- C12 H32 Cl3 Co N8 O -","- C12 H32 Cl3 Co N8 O -","- C96 H256 Cl24 Co8 N64 O8 -","8","2","AL1026","Bacchi, A.; Ferranti, F.; Pelizzi, G.","Structures of two cobalt(III) sepulchrate complexes","Acta Crystallographica Section C","1993","49","6","1163","1169","10.1107/S0108270192012265","","","0.7107","MoKα","","","0.0405","","","0.0416","","","","","2.55","2.55","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001640","16.43","0.004","10.819","0.001","15.536","0.004","90","","105.52","0.01","90","","2660.9","1","296.15","","296.15","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H40 O5 Si -","- C26 H40 O5 Si -","- C104 H160 O20 Si4 -","4","1","AS1027","Kamei, S.; Uchida, A.; Ohashi, Y.; Seto, M.; Morihira, K.; Horiguchi, Y.; Kuwajima, I.","Structure of <i>endo</i>-(5<i>R</i>*,6<i>R</i>*,10<i>R</i>*,11<i>S</i>*)-10-(<i>tert</i>-butyldimethylsiloxy)-5,6,10,11-tetrahydro-5-hydroxy-4,11-dimethoxy-7,7,9-trimethyl-6,10-methano-(7<i>H</i>)-benzocyclononene-8-carbaldehyde","Acta Crystallographica Section C","1993","49","6","1201","1203","10.1107/S0108270192012915","","","1.54184","CuKα","","","0.064","","","0.079","","","","","1.01","1.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001654","9.492","0.002","4.674","0.006","49.39","0.01","90","","93.65","0.02","90","","2187","3","221","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C22 H42 O2 -","- C22 H42 O2 -","- C88 H168 O8 -","4","1","OH1011","Kaneko, F.; Yamazaki, K.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Sato, K.; Suzuki, M.","Structure of the γ phase of erucic acid","Acta Crystallographica Section C","1993","49","6","1232","1234","10.1107/S0108270193000071","","","1.5418","CuKα","","","0.051","","","0.067","","","","","1.52","1.52","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001680","24.113","0.005","11.02","0.005","12.065","0.004","90","","100.07","0.02","90","","3156.6","1.9","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C30 H36 N3 O4 S3 -","- C33.5 H29 N3 O4 S3 -","- C134 H116 N12 O16 S12 -","4","1","AL1031","Evans, D. J.; Hughes, D. L.; Leigh, G. J.; Garcia, G.; Santana, M. D.","Structure of 4,7-bis(4-mercaptobenzoyl)-1-tosyl-1,4,7-triazacyclononane","Acta Crystallographica Section C","1993","49","5","905","908","10.1107/S0108270192012770","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001687","8.005","0.001","13.717","0.002","11.95","0.001","90","","93.42","0.01","90","","1309.8","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C9 H14 N4 Se3 -","- C9 H14 N4 Se3 -","- C36 H56 N16 Se12 -","4","1","AB1012","Billing, D. G.; Ferg, E. E.; Lai, L.-L.; Levendis, D. C.; Reid, D. H.","Structures of 2,3-diethyl-6,7-dihydro-5<i>H</i>-2aλ^4^-selena-2,3,4a,7a-tetraazacyclopent[<i>cd</i>]indene-1(2<i>H</i>),4(3<i>H</i>)-diselone and 1,4-bis(ethylimino)-5,6-dihydro-2,2aλ^4^,3-triselena-4a,6a-diazacyclopenta[<i>cd</i>]pentalene","Acta Crystallographica Section C","1993","49","5","917","921","10.1107/S0108270192011582","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001724","8.054","0.003","16.013","0.01","7.48","0.003","90","","111.28","0.03","90","","898.9","0.8","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C7 H2 Br2 O4 -","- C7 H2 Br2 O4 -","- C28 H8 Br8 O16 -","4","1","MU1003","Kožíšek, J.; Dvorský, A.; Végh, D.; Jakubcová, M.; Ječný, J.","Structure of 4,9-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione, C~7~H~2~Br~2~O~4~","Acta Crystallographica Section C","1993","49","5","990","992","10.1107/S0108270192011454","","","1.54178","CuKα","","","0.0525","","","0.0623","","","","","2.3","2.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001750","13.576","0.004","9.077","0.004","5.543","0.003","90","0.02","91.47","0.01","90","0.01","682.8","0.5","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- B5 H2 Li O9 -","- B5 H2 Li O9 -","- B20 H8 Li4 O36 -","4","1","MU0290","Cárdenas, A.; Solans, J.; Byrappa, K.; Shekar, K. V. K.","Structure of lithium <i>catena</i>-poly[3,4-dihydroxopentaborate-1:5-μ-oxo]","Acta Crystallographica Section C","1993","49","4","645","647","10.1107/S0108270192008217","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001764","9.972","0.001","8.308","0.001","17.01","0.002","90","","97.371","0.004","90","","1397.6","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C16 H15 Fe N3 -","- C16 H15 Fe N3 -","- C64 H60 Fe4 N12 -","4","1","HU1007","Houlton, A.; Ahmet, M. T.; Miller, J. R.; Silver, J.; Slade, E.","Structure of the 2-pyridylhydrazone of ferrocenecarbaldehyde","Acta Crystallographica Section C","1993","49","4","682","684","10.1107/S0108270192009363","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001823","9.792","0.001","8.487","0.001","7.411","0.002","90","","100.43","0.02","90","","605.71","0.19","295","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C2 H8 N O5 P -","- C2 H9 N O5 P -","- C8 H36 N4 O20 P4 -","4","1","PA1020","Averbuch-Pouchot, M.-T.","Structures of glycinium phosphite and glycylglycinium phosphite","Acta Crystallographica Section C","1993","49","4","815","818","10.1107/S0108270192010771","","","0.5608","AgKα","","","0.027","","","0.027","","","","","0.317","0.317","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001832","27.729","0.005","5.0311","0.0007","6.105","0.001","90","","99.57","0.02","90","","839.8","0.2","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C9 H7 N O4 -","- C9 H7 N O4 -","- C36 H28 N4 O16 -","4","1","OH1006","Kageyama, Y.; Iwamoto, T.; Haisa, M.; Kashino, S.","Structure of the photostable form of <i>p</i>-nitrocinnamic acid","Acta Crystallographica Section C","1993","49","4","833","834","10.1107/S0108270192010886","","","1.54178","CuKα","","","0.045","","","0.055","","","","","2.91","2.91","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001837","11.865","0.001","13.8","0.001","10.568","0.001","90","","104.25","0.01","90","","1677.1","0.3","294","","294","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Dimethyl 9-chloro-9,10-dihydro-9,10-ethenoanthracene-11,12- dicarboxylate","","- C20 H15 Cl O4 -","- C20 Cl O4 -","- C80 Cl4 O16 -","4","1","BR1019","Trotter, J.; Yee, V. C.","Structure of dimethyl 9-chloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1993","49","4","846","848","10.1107/S0108270192011880","","","1.54056","CopperKα","","0.078","0.046","","0.058","0.058","","","","","2.2","2.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001866","22.833","0.006","9.37","0.003","11.434","0.004","90","","110.71","0.08","90","","2288.2","1.7","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","GR0209","Hossain, M. B.; Symersky, J.; Neely, S. C.; van der Helm, D.; Magarian, R. A.","Structure of 1-{4-[2-(diethylamino)ethoxy]phenyl}-2-(4-methoxyphenyl)-1-phenylethan-1-ol, the non-steroidal antiestrogen MER25","Acta Crystallographica Section C","1993","49","3","500","504","10.1107/S0108270192007893","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2001871","7.8478","0.0004","20.0952","0.0009","13.3666","0.0003","90","","95.68","0.002","90","","2097.6","0.15","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H28 O8 -","- C22 H28 O8 -","- C88 H112 O32 -","4","1","DU0312","Drouin, M.; Michel-Dewez, N.; Michel, A. G.","Functionalized hydrocarbons with condensed ring skeletons. XI. Tetramethyl tricyclo[8.4.0.0^2,7^]tetradeca-1,8-diene-5,5,12,12-tetracarboxylate and its corresponding tetradec-8-ene","Acta Crystallographica Section C","1993","49","3","514","517","10.1107/S0108270192008151","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","208449","2020-10-21","18:00:00",""
"2001875","17.572","0.01","7.727","0.004","7.398","0.004","90","","101.9","0.04","90","","982.9","0.9","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C28 H14 O6 -","- C28 H14 O6 -","- C56 H28 O12 -","2","0.5","ST1003","Hoier, H.; Zacharias, D. E.; Carrell, H. L.; Glusker, J. P.","Structure of the molecular complex of anthracene with 1,8:4,5-naphthalenetetracarboxylic dianhydride","Acta Crystallographica Section C","1993","49","3","523","526","10.1107/S0108270192007388","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001953","10.975","0.002","19.937","0.003","8.742","0.004","90","","90.4","0.02","90","","1912.8","1","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H22 Cl10 N2 S2 Te2 -","- C32 H22 Cl10 N2 S2 Te2 -","- C64 H44 Cl20 N4 S4 Te4 -","2","0.5","AS1004","Kozawa, K.; Uchida, T.","Structure of benzo[<i>a</i>]phenothiazine pentachlorotellurate(IV)","Acta Crystallographica Section C","1993","49","2","267","270","10.1107/S0108270192005602","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2001980","25.269","0.002","23.347","0.002","8.306","0.002","90","","91.71","0.01","90","","4898","1.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C16 H11 N S -","- C16 H11 N S -","- C256 H176 N16 S16 -","16","4","AS0593","Yoshida, S.; Matsuzawa, H.; Kozawa, K.; Uchida, T.","Structures of benzo[<i>a</i>]phenothiazine and benzo[<i>c</i>]phenothiazine","Acta Crystallographica Section C","1993","49","2","333","336","10.1107/S0108270192005596","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001981","19.703","0.003","5.365","0.002","11.523","0.001","90","","95.48","0.01","90","","1212.5","0.5","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H11 N S -","- C16 H11 N S -","- C64 H44 N4 S4 -","4","1","AS0593","Yoshida, S.; Matsuzawa, H.; Kozawa, K.; Uchida, T.","Structures of benzo[<i>a</i>]phenothiazine and benzo[<i>c</i>]phenothiazine","Acta Crystallographica Section C","1993","49","2","333","336","10.1107/S0108270192005596","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2002022","13.406","0.002","13.346","0.002","6.86","0.002","90","","104.61","0.02","90","","1187.7","0.4","293","2","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","AS1019","Kawata, T.; Okuda, M.; Ohba, S.; Umehara, M.; Honnami, H.; Hishida, S.","Tricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione (I), tetracyclo[9.3.0.0^1,5^.0^5,9^]tetradecane-2,7-dione (II) and <i>cis</i>-<i>cisoid</i>-<i>cis</i>-2,9-epoxy-9-methyltricyclo[9.3.0.0^4,8^]tetradecan-2-ol (III)","Acta Crystallographica Section C","1993","49","2","410","413","10.1107/S0108270192009491","","","0.71073","MoKα","","","0.05","","","0.046","","","","","1.54","1.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002053","12.002","0.002","11.013","0.002","12.652","0.003","90","","106.24","0.03","90","","1605.6","0.6","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 O3 -","- C20 H20 O3 -","- C80 H80 O12 -","4","1","CD0080","Alex, G.; Srinivasan, S.; Krishnasamy, V.; Suresh, R. V.; Iyer, R.; Iyer, P. R.","Structure of a chalcone","Acta Crystallographica Section C","1993","49","1","70","72","10.1107/S0108270192006152","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2002441","14.432","0.003","5.833","0.001","20.79199","0.003","90","","110.02","","90","","1644.5","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Barium tetraoxodiindate","","- Ba In2 O4 -","- Ba In2 O4 -","- Ba16 In32 O64 -","16","4","","Lalla, A; Mueller-Buschbaum, Hk","Zur Verbindungsbildung Me O:M2 O3. XI Die Kristallstruktur von Ba In2 O4","Journal of the Less-Common Metals","1989","154","","233","241","10.1016/0022-5088(89)90209-9","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002495","5.788","0.002","13.222","0.004","7.242","0.002","90","","112.98","0.02","90","","510.2","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Tetrabarium triiridium(IV) oxide","","- Ba4 Ir3 O10 -","- Ba4 Ir3 O10 -","- Ba8 Ir6 O20 -","2","0.5","","Wilkens, J; Mueller-Buschbaum, Hk","Zur Kenntnis von Ba4 Ir3 O10","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","592","","79","83","10.1002/zaac.19915920109","","","","","","0.0485","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002620","24.64729","0.0081","7.7347","0.0083","5.6375","0.0029","90","","103.16","0.03","90","","1046.5","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Dibarium bismuth vanadate divanadate","","- Ba2 Bi O11 V3 -","- Ba2 Bi O11 V3 -","- Ba8 Bi4 O44 V12 -","4","1","","Boje, J; Mueller-Buschbaum, Hk","Ba2 Bi V3 O11 mit Bismut in geschlossener Koordination","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","525","528","10.1002/zaac.19936190316","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002708","16.60898","0.009","5.056","0.004","8.95","0.006","90","","117.08","0.05","90","","669.2","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Calcium copper arsenate (1.5/1.5/2)","","- As2 Ca1.5 Cu1.5 O8 -","- As2 Ca1.5 Cu1.5 O8 -","- As8 Ca6 Cu6 O32 -","4","1","","Osterloh, D; Mueller-Buschbaum, Hk","Zur Kenntnis eines Calcium-Kupfer-Orthoarsenats: Ca1.5 Cu1.5 (As O4)2","Journal of Alloys Compd.","1994","206","","155","158","10.1016/0925-8388(94)90027-2","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002810","6.8425","0.0015","14.636","0.004","7.46","0.002","90","","116.02","0.02","90","","671.4","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Barium oxovanadium diarsenate(V)","","- As2 Ba O8 V -","- As2 Ba O8 V -","- As8 Ba4 O32 V4 -","4","1","","Mueller-Buschbaum, Hk; Wadewitz, C","Ba (V O) As2 O7, ein Vanadyl-Diarsenat mit Schichtstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","84","88","10.1002/zaac.19976230115","","","","","","0.0336","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002971","8.3506","0.0009","18.0102","0.0017","9.636","0.0014","90","","110.869","0.008","90","","1354.1","0.3","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","4,4'-Sulfonyldiphenol-pyrazine (2/1)","","- C28 H24 N2 O8 S2 -","- C28 H24 N2 O8 S2 -","- C56 H48 N4 O16 S4 -","2","0.5","CF0004","Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S.","Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1)","Acta Crystallographica, Section B: Structural Science","1999","55","4","573","590","10.1107/S0108768199002645","","","0.7107","MoKα","","0.0489","0.0356","","","","0.0966","","","","","","1.035","","","","has coordinates,has Fobs","209626","2020-10-21","18:00:00",""
"2003024","12.083","0.004","18.854","0.006","10.76","0.003","90","","107.29","0.03","90","","2340.5","1.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-phenyl-4-hydroxyphthalazin-1-one","2,3-dihydro-2-phenyl-1,4-phthalazinedione","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C112 H80 N16 O16 -","8","2","MU1320","Becker, Dan; Botoshansky, Mark; Gasper, Noga; Herbstein, Frank H.; Karni, Miriam","2-Phenyl-4-hydroxyphthalazin-1-one: A Benzoannelated Derivative of Maleic Hydrazide","Acta Crystallographica Section B","1998","54","5","671","676","10.1107/S0108768197015760","","","0.71069","MoKα","","0.0802","0.05","","0.1324","0.1131","","","","1.009","1.072","1.072","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003185","9.685","0.003","7.128","0.002","13.572","0.004","90","","99.78","0.02","90","","923.3","0.5","293","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C7 H9 F3 N2 O2 -","- C7 H9 F3 N2 O2 -","- C28 H36 F12 N8 O8 -","4","1","","Tinant, Bernard; Declercq, Jean-Paul; Bouillon, Jean-Philippe","Oxime of 1-Methyl-3-trifluoroacetylpyrrolidin-2-one","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","270","272","10.1107/S0108270194010930","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003231","12.457","0.003","9.828","0.002","12.588","0.002","90","","106.79","0.02","90","","1475.4","0.5","293","","293","","","","","","","","synthesised by authors","3","P 1 21/a 1","-P 2yab","14","tetramethyl-4,7-dioxadecanedioic acid","2,2,9,9-tetramethyl-4,7-dioxadecanedioic acid","","- C12 H22 O6 -","- C12 H22 O6 -","- C48 H88 O24 -","4","1","AB1215","Ferguson, G.; Gallagher, J. F.; McAlees, A. J.","Ligands for Application in Coordination Chemistry: Three Dicarboxylic Acids","Acta Crystallographica Section C","1995","51","3","454","458","10.1107/S0108270194010000","","","0.71067","MolybdenumKα","","0.097","0.038","","0.061","0.052","","","","","1.35","1.35","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003269","14.257","0.002","7.2001","0.0008","12.871","0.001","90","","108.88","0.01","90","","1250.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1-hydroxy-5,6-dihydro-12-azabenzo[a]anthracene-N-oxide","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","KA1078","Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.","Hindered Cavity-Shaped <i>N</i>-Oxides","Acta Crystallographica Section C","1995","51","3","458","461","10.1107/S0108270194003665","","","1.54178","CuKα","","0.0605","0.0421","","0.1244","0.1112","","","","1.109","1.159","1.159","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003310","10.127","0.002","4.87","0.002","15.811","0.002","90","","106.61","0.01","90","","747.2","0.4","296","","","","","","","","","","evaporation from 50% ethanol","3","P 1 21/a 1","-P 2yab","14","","","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","AS1128","Okabe, N.; Kohyama, Y.","Homogentisic Acid","Acta Crystallographica Section C","1995","51","4","761","763","10.1107/S0108270194010176","","","0.71069","MoKα","","","0.051","","","0.049","","","","","1.47","1.47","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003349","8.205","0.002","14.321","0.005","12.838","0.004","90","","107.73","0.02","90","","1436.9","0.8","293","","","","","","","","","","Phillips (1959)","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","HR1008","Özbey, S.; Kendi, E.; İde, S.; Mak, T. C. W.","2-Methyl-2-(2-methylphenylazo)-1,3-indandione","Acta Crystallographica Section C","1995","51","4","707","709","10.1107/S010827019400867X","","","0.71073","MoKα","","","0.0529","","","0.0565","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003352","9.475","0.001","8.57","0.001","9.194","0.001","90","","97.43","0.009","90","","740.29","0.14","293","","","","","","","","","","recrystallized from CH~2~Cl~2~","4","P 1 21/a 1","-P 2yab","14","","","","- C8 H16 I2 S4 -","- C8 H12 I2 S4 -","- C16 H24 I4 S8 -","2","0.5","HU1090","Baker, P. K.; Harris, S. D.; Durrant, M. C.; Hughes, D. L.; Richards, R. L.","Preparation and Structural Characterization of the Charge-Transfer Complex (12[ane]S~4~.I~2~)~{∞~} (12[ane]S~4~ = 1,4,7,10-Tetrathiacyclododecane)","Acta Crystallographica Section C","1995","51","4","697","700","10.1107/S0108270194010267","","","0.71069","MoKα","","","0.047","","","0.061","","","","","0.66","0.66","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003381","16.031","0.003","16.036","0.002","16.821","0.003","90","","113.74","0.01","90","","3958.3","1.2","294","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C9 H23 Cl4 O3 Rh S3 -","- C9 H23 Cl4 O3 Rh S3 -","- C72 H184 Cl32 O24 Rh8 S24 -","8","2","NA1100","Calligaris, M.; Faleschini, P.","Dimethylacetonylsulfonium Tetrachlorobis(dimethyl sulfoxide-<i>S</i>)rhodate(III)","Acta Crystallographica Section C","1995","51","4","588","591","10.1107/S0108270194010425","","","0.71069","MoKα","","","0.033","","","0.035","","","","","0.389","0.389","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003434","13.588","0.002","8.286","0.001","14.683","0.002","90","","110.51","0.01","90","","1548.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","JM216","Bis(acetato)-ammine-dichloro-cyclohexylamine platinum(IV)","","- C10 H22 Cl2 N2 O4 Pt -","- C10 H22 Cl2 N2 O4 Pt -","- C40 H88 Cl8 N8 O16 Pt4 -","4","1","CR1156","Neidle, S.; Snook, C. F.; Murrer, B. A.; Barnard, C. F. J.","Bis(acetato)amminedichloro(cyclohexylamine)platinum(IV), an Orally Active Anticancer Drug","Acta Crystallographica Section C","1995","51","5","822","824","10.1107/S0108270194013600","","","1.54051","CuKα","","0.0417","0.037","","0.1147","0.111","","","","0.971","0.981","0.981","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003441","16.095","0.001","8.49","0.001","16.907","0.0001","90","0.01","116.104","0.001","90","0.01","2074.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","m-Anisidinium Dihydrogenomonophosphate","","- C7 H12 N O5 P -","- C7 H12 N O5 P -","- C56 H96 N8 O40 P8 -","8","2","DU1098","Ould Abdellahi, M.; Jouini, T.","<i>m</i>-Anisidinium Dihydrogenmonophosphate","Acta Crystallographica Section C","1995","51","5","924","926","10.1107/S0108270194011558","","","0.71069","MoKα","","0.0727","0.0484","","0.1064","0.1013","","","","1.282","1.42","1.42","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003443","9.3781","0.0005","8.2216","0.0006","13.5971","0.0006","90","","104.903","0.004","90","","1013.11","0.1","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","para-Anisidinium Dihydrogénophosphate","","- C7 H12 N O5 P -","- C7 H12 N O5 P -","- C28 H48 N4 O20 P4 -","4","1","DU1105","Ben Amor, F.; Soumhi, E. H.; Ould Abdellahi, M.; Jouini, T.","<i>p</i>-Anisidinium Dihydrogénophosphate","Acta Crystallographica Section C","1995","51","5","933","935","10.1107/S0108270194014289","","","0.71069","MoKα","","0.0441","0.0394","","0.106","0.1033","","","","1.13","1.164","1.164","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003456","8.6449","0.001","9.9416","0.001","12.892","0.002","90","","94.96","0.09","90","","1103.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Potassium 4-Sulfonatobenzoic acid dihydrate","","- C7 H9 K O7 S -","- C7 H9 K O7 S -","- C28 H36 K4 O28 S4 -","4","1","HU1119","Kariuki, B. M.; Jones, W.","Three Polymorphs of Potassium 4-Sulfonatobenzoic Acid","Acta Crystallographica Section C","1995","51","5","867","871","10.1107/S0108270194012485","","","0.71069","MoKα","","0.0583","0.0335","","0.0859","0.0812","","","","1.063","1.221","1.221","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003527","6.137","0.001","19.405","0.002","7.187","0.001","90","","104.72","0.01","90","","827.8","0.2","296","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H6 N2 O2 S -","- C8 H6 N2 O2 S -","- C32 H24 N8 O8 S4 -","4","1","BK1050","Gallucci, J. C.; Mathur, N.; Shechter, H.","(<i>Z</i>)-5-(2-Thienylmethylene)-2,4-imidazolidinedione","Acta Crystallographica Section C","1995","51","6","1221","1223","10.1107/S0108270194014137","","","0.71069","MoKα","","","0.041","","","0.046","","","","","1.65","1.65","","","","","has coordinates,has disorder","200210","2020-10-21","18:00:00",""
"2003557","9.495","0.004","7.421","0.001","11.151","0.003","90","","90.71","0.02","90","","785.7","0.4","102","","","","","","","","","","see text","3","P 1 21/a 1","-P 2yab","14","","","","- C6 H15 P -","- C6 H15 P -","- C24 H60 P4 -","4","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","","","0.059","","","0.068","","","","","4.7","4.7","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003560","14.506","0.004","3.7329","0.001","19.245","0.003","90","","91.45","0.02","90","","1041.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Sodium o-chloro-trans-cinnamate dihydrate","","","- C9 H10 Cl Na O4 -","- C9 H10 Cl Na O4 -","- C36 H40 Cl4 Na4 O16 -","4","1","HU1125","Kariuki, B. M.; Valim, J. B.; Jones, W.; King, J.","Sodium 3-(2-Chlorophenyl)propenoate Dihydrate and Tetraaquamagnesium Bis[3-(2-hydroxyphenyl)propenoate]","Acta Crystallographica Section C","1995","51","6","1051","1053","10.1107/S0108270194012503","","","0.71069","MoKα","","0.0461","0.034","","0.1037","0.0943","","","","1.067","1.156","1.156","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003567","23.198","0.03","6.918","0.01","24.963","0.03","90","","96.65","0.09","90","","3979","9","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Bis(berberine) sulphate heptadydrate","","","- C40 H50 N2 O19 S -","- C40 H50 N2 O19 S -","- C160 H200 N8 O76 S4 -","4","1","HU1131","Kariuki, B. M.; Jones, W.","Five Salts of Berberine","Acta Crystallographica Section C","1995","51","6","1234","1240","10.1107/S010827019401259X","","","0.71069","MoKα","","0.2867","0.0764","","0.2046","0.1649","","","","0.732","1.321","1.321","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2003601","7.838","0.004","15.318","0.004","8.84","0.004","90","","116.22","0.04","90","","952.1","0.8","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H7 N O3 -","- C11 H7 N O3 -","- C44 H28 N4 O12 -","4","1","SE1071","Steiner, T.","<i>N</i>-(Propargyloxy)phthalimide","Acta Crystallographica Section C","1995","51","6","1135","1136","10.1107/S0108270194012941","","","1.54184","CuKα","","","0.049","","","0.049","","","","","1","1","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003625","7.487","0.002","15.47","0.007","8.131","0.007","90","","109.55","0.03","90","","887.5","0.9","293","2","293","2","","","","","","","Lab. of Medicinal Chemistry, Li\`ege","5","P 1 21/a 1","-P 2yab","14","","3-amino-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide monohydrate","","- C6 H8 N4 O3 S -","- C6 H8 N4 O3 S -","- C24 H32 N16 O12 S4 -","4","1","AB1238","Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.","3-Amino-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Monohydrate and 3-<i>tert</i>-Butyl-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide","Acta Crystallographica Section C","1995","51","7","1385","1388","10.1107/S0108270195000278","","","1.5418","CuKα","","0.0466","0.0342","","0.1035","0.1002","","","","1.062","1.173","1.173","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003626","9.802","0.009","11.682","0.009","10.384","0.016","90","","108","0.1","90","","1131","2","293","2","293","2","","","","","","","Lab. of Medicinal Chemistry, Li\`ege","5","P 1 21/a 1","-P 2yab","14","","3-tert butyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C40 H52 N12 O8 S4 -","4","1","AB1238","Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.","3-Amino-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Monohydrate and 3-<i>tert</i>-Butyl-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide","Acta Crystallographica Section C","1995","51","7","1385","1388","10.1107/S0108270195000278","","","1.5418","CuKα","","0.0489","0.0443","","0.1297","0.1276","","","","1.103","1.16","1.16","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003640","11.44","0.004","9.11","0.007","13.51","0.009","90","","90.8","0.3","90","","1407.9","1.5","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","BK0003","Akama, Y.; Shiro, M.; Ueda, T.; Kajitani, M.","Keto and Enol Tautomers of 4-Benzoyl-3-methyl-1-phenyl-5(2<i>H</i>)-pyrazolone","Acta Crystallographica Section C","1995","51","7","1310","1314","10.1107/S0108270194007389","","","0.7107","MoKα","","","0.063","","","0.077","","","","","2.19","2.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003646","9.248","0.002","16.521","0.004","10.359","0.002","90","","109.31","0.01","90","","1493.7","0.6","294","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","CR1149","Wireko, F. C.; Matthews, R. S.; Thoman, S. M.; Hennes, D. H.; Sickman, L. H.","An Unexpected Intermediate in the Synthesis of Substituted Pyridones","Acta Crystallographica Section C","1995","51","7","1404","1407","10.1107/S0108270195001259","","","1.5406","CuKα","","","0.052","","","0.035","","","","","2.43","2.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003668","8.537","0.004","13.936","0.002","12.839","0.003","90","","92.92","0.03","90","","1525.5","0.8","140","2","140","2","","","","","","","Aldrich","4","P 1 21/a 1","-P 2yab","14","chloroxylenol","4-chloro-3,5-dimethylphenol","","- C8 H9 Cl O -","- C8 H9 Cl O -","- C64 H72 Cl8 O8 -","8","2","HU1115","Cox, P. J.","Chloroxylenol, C~8~H~9~ClO","Acta Crystallographica Section C","1995","51","7","1361","1364","10.1107/S0108270194012588","","","0.71069","MoKα","","0.0483","0.0407","","0.1001","0.0979","","","","0.99","1.066","1.066","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003690","14.611","0.002","5.423","0.006","12.191","0.002","90","","96.89","0.01","90","","959","1.1","297","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H9 N O -","- C11 H9 N O -","- C44 H36 N4 O4 -","4","1","KH1007","Suh, M. C.; Kim, S. N.; Lee, H. J.; Shim, S. C.; Suh, I.-H.; Lee, J.-H.; Park, J.-R.","6-(2-Pyridyl)-3,5-hexadiyn-1-ol","Acta Crystallographica Section C","1995","51","7","1416","1418","10.1107/S0108270195001089","","","0.71073","MoKα","","","0.0664","","","0.0633","","","","","2.713","2.713","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003695","12.37","0.001","5.977","0.001","13.909","0.001","90","","113.1","0.01","90","","945.9","0.2","291","1","291","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,2'-Selenobispyridine","","- C10 H8 N2 Se -","- C10 H8 N2 Se -","- C40 H32 N8 Se4 -","4","1","KH1016","Dunne, S. J.; von Nagy-Felsobuki, E. I.; Mackay, M. F.","2,2'-Oxybispyridine and 2,2'-Selenobispyridine","Acta Crystallographica Section C","1995","51","7","1454","1457","10.1107/S010827019500014X","","","1.5418","CopperKα","","","0.041","","","0.056","","","","","3.71","3.71","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003735","12.328","0.004","8.596","0.004","13.294","0.005","90","","97.21","0.03","90","","1397.6","1","295","","","","","","","","","","see text","6","P 1 21/a 1","-P 2yab","14","","","","- C6 H14 N2 O8 S U -","- C9 N2 O8 S U -","- C36 N8 O32 S4 U4 -","4","1","AB1210","Thuéry, P.; Keller, N.; Lance, M.; Vigner, J.-D.; Nierlich, M.","Bis(<i>N</i>,<i>N</i>-dimethylformamide)(μ-sulfato)dioxouranium(VI)","Acta Crystallographica Section C","1995","51","8","1526","1529","10.1107/S0108270194014411","","","0.71073","MoKα","","","0.035","","","0.043","","","","","1.2","1.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003751","14.212","0.003","17.39","0.004","14.84","0.001","90","","96.1","0.01","90","","3646.9","1.2","193","","","","","","","","","","THF/heptane","6","P 1 21/a 1","-P 2yab","","","","","- C46 H28 F3 Fe N4 O2 -","- C46.57 H28 F1.71 Fe N4 O3 -","- C186.28 H112 F6.84 Fe4 N16 O12 -","4","1","BK0001","Moy, S. A.; González, J. A.; Wilson, L. J.","Molecular Stereochemistry of [Fe^III^(TPP)(OCOCF~3~)]","Acta Crystallographica Section C","1995","51","8","1490","1494","10.1107/S010827019401334X","","","0.71073","MoKα","","","0.064","","","0.083","","","","","1.95","1.95","","","","","has coordinates","192016","2020-10-21","18:00:00",""
"2003811","11.002","0.006","8.857","0.004","12.246","0.005","90","","91.38","0.03","90","","1193","1","293","","","","","","","","","","see text","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 As I -","- C12 H10 As I -","- C48 H40 As4 I4 -","4","1","MU1163","Begley, M. J.; Sowerby, D. B.; Silaghi-Dumitrescu, L.","Diphenylarsenic(III) Iodide","Acta Crystallographica Section C","1995","51","8","1632","1634","10.1107/S0108270195001466","","","0.71073","MoKα","","","0.039","","","0.045","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003840","14.078","0.003","9.473","0.002","14.899","0.003","90","","79.51","0.03","90","","1953.7","0.7","293","","293","","","","","","","","grown from heptane solution","4","P 1 21/a 1","-P 2yab","14","Spiro[azatricycloundecane-naphthoxazine]","8-methyl-spiro[syn-10,11-benzo-8-azatricyclo[5,2,2,0^1,5^] undecane-9-3'[3H]naphth[1,2b][1,4]oxazine","","- C26 H24 N2 O -","- C26 H24 N2 O -","- C104 H96 N8 O4 -","4","1","PA1155","Pèpe, G.; Laréginie, P.; Samat, A.; Guglielmetti, R.; Zaballos, E.","8-Methylspiro(<i>syn</i>-10,11-benzo-8-azatricyclo[5.2.2.0^1,5^]undec-10-ene)-9,3'-[3<i>H</i>]naphth[1,2-<i>b</i>][1,4]oxazine","Acta Crystallographica Section C","1995","51","8","1617","1619","10.1107/S0108270195000205","","","1.5418","CuKα","","0.0442","0.0442","","0.0442","0.0442","","","","","0.71","0.71","","","","","has coordinates","198477","2020-10-21","18:00:00",""
"2003879","8.871","0.002","7.397","0.002","20.393","0.004","90","","93.83","0.02","90","","1335.2","0.5","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H20 N4 O4 -","- C9 H20 N4 O4 -","- C36 H80 N16 O16 -","4","1","CR1118","Zhou, K.-J.; Di Maio, G.; Portalone, G.; Li, S.","4-Acetamidocyclohexanone Semicarbazone Dihydrate","Acta Crystallographica Section C","1995","51","9","1844","1846","10.1107/S0108270195002137","","","0.71069","MoKα","","","0.064","","","0.066","","","","","1.79","1.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003943","11.576","0.002","10.6933","0.0007","11.582","0.002","90","","101.448","0.009","90","","1405.2","0.4","293","2","293","2","","","","","","","Laboratory of Medicinal Chemistry, Li\`ege","4","P 1 21/a 1","-P 2yab","14","","2-Cyanoimino-5,5-diphenyl-4-imidazolinone Monohydrate","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C64 H56 N16 O8 -","4","1","PA1170","Dupont, L.; Masereel, B.; Lambert, D.; Scriba, G.","2-Cyanoimino-5,5-diphenyl-4-imidazolinone Monohydrate","Acta Crystallographica Section C","1995","51","9","1901","1903","10.1107/S0108270195001661","","","1.5418","CuKα","","0.0467","0.0347","","0.1063","0.1025","","","","1.073","1.192","1.192","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003959","14.98","0.002","6.05","0.002","13.31","0.002","90","","101.21","0.07","90","","1183.3","0.5","295","","","","","","","","","","Synthesized locally","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 N2 O5 S -","- C10 H12 N2 O5 S -","- C40 H48 N8 O20 S4 -","4","1","AB1088","Mukherjee, K.; Banerjee, T.; Roychowdhury, P.; Yamane, T.","<i>N</i>-Benzenesulfonylglycylglycine, (I), and Tetrakis(μ-<i>N</i>-benzenesulfonylglycylglycinato)bis[aquacopper(II)](<i>Cu</i>—<i>Cu</i>)‒Water (1/4), (II)","Acta Crystallographica Section C","1995","51","10","2025","2028","10.1107/S0108270194005214","","","1.5418","CuKα","","","0.0615","","","0.0567","","","","","1.17","1.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003961","15.665","0.001","16.352","0.003","17.252","0.001","90","","95.725","0.007","90","","4397.1","0.9","298","3","","","","","","","","","synthesis","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H32 Cl2 N4 Ni O8 -","- C14 H32 Cl2 N4 Ni O8 -","- C112 H256 Cl16 N32 Ni8 O64 -","8","2","AB1193","Tahirov, T. H.; Lu, T.-H.; Liu, G.-S.; Chi, T.-Y.; Chung, C.-S.","[(5<i>SR</i>,7<i>RS</i>,12<i>RS</i>,14<i>RS</i>)-5,7,12,14-Tetramethyl-1,4,8,11-tetraazacyclotetradecane]nickel(II) Diperchlorate","Acta Crystallographica Section C","1995","51","10","2018","2020","10.1107/S0108270195004458","","","0.71073","MoKα","","","0.048","","","0.058","","","","","1.38","1.38","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003968","11.101","0.002","8.6795","0.0007","14.648","0.002","90","","100.457","0.011","90","","1387.9","0.3","294","1","294","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-Ferrocenylquinoxaline","","- C18 H14 Fe N2 -","- C18 H14 Fe N2 -","- C72 H56 Fe4 N8 -","4","1","AB1268","Ferguson, G.; Glidewell, C.; Scott, J. P.","2-Ferrocenylquinoxaline","Acta Crystallographica Section C","1995","51","10","1989","1991","10.1107/S0108270195004094","","","0.7107","MoKα","","0.0598","0.0347","","0.0962","0.0901","","","","1.042","1.167","1.167","","","","","has coordinates","192281","2020-10-21","18:00:00",""
"2004032","6.922","0.001","12.297","0.001","6.922","0.001","90","","113.85","0.01","90","","538.89","0.13","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H8 Cu N6 O8 -","- C6 H8 Cu N6 O8 -","- C12 H16 Cu2 N12 O16 -","2","0.5","MU1175","Simonsen, O.; la Cour, A.","A Copper‒Nitromalonamide Complex","Acta Crystallographica Section C","1995","51","10","2006","2008","10.1107/S0108270195005270","","","0.71073","MoKα","","0.031","0.027","","0.027","0.027","","","","7.287","7.678","7.678","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004043","13.544","0.003","6.8416","0.0008","14.2204","0.0006","90","","94.044","0.008","90","","1314.4","0.3","150","2","150","2","","","","","","","Chemical synthesis","5","P 1 21/a 1","-P 2yab","14","","trimethyl[(trimethylstannyl)methyl]ammoniumiodide","","- C7 H20 I N Sn -","- C7 H20 I N Sn -","- C28 H80 I4 N4 Sn4 -","4","1","NA1164","Cox, P. J.; Wardell, J. L.","Trimethyl[(trimethylstannyl)methyl]ammonium Iodide","Acta Crystallographica Section C","1995","51","10","2037","2039","10.1107/S0108270195004495","","","0.71069","MoKα","","0.0395","0.034","","0.096","0.086","","","","0.92","0.979","0.979","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004114","13.049","0.001","10.411","0.001","12.317","0.003","90","","105.5","0.1","90","","1612.4","0.9","293","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H24 O5 -","- C16 H24 O5 -","- C64 H96 O20 -","4","1","CR1184","Selladurai, S.; Subramanian, K.; Lakshmi, S.; Rajagopalan, K.; Chen, Y. S.; Yang, J.; Narasinga Rao, S.","5,5-Dimethyl-1,3-dioxacyclohexane-2-spiro(2',γ-dimethyl-3'-oxo-2'-cyclohexaneacrylic Acid)","Acta Crystallographica Section C","1995","51","11","2424","2426","10.1107/S0108270195005555","","","0.71073","MoKα","","","0.05","","","0.062","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004134","13.363","0.003","12.802","0.002","10.828","0.002","90","","107.04","0.02","90","","1771.1","0.6","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H20 Fe O6 -","- C16 H20 Fe O6 -","- C64 H80 Fe4 O24 -","4","1","JZ1034","Solans, X.; Font-Bardia, M.","3,4-Bis(<i>tert</i>-butoxy)-2,4-cyclopentadien-1-one and its <i>fac</i>-Tricarbonyliron(0) Complex","Acta Crystallographica Section C","1995","51","11","2255","2258","10.1107/S0108270195003039","","","0.71069","MoKα","","","0.048","","","0.124","","","","","0.972","0.972","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004167","7.75","0.004","13.131","0.006","10.912","0.003","90","","91.22","0.03","90","","1110.2","0.8","173","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Br2 O2 -","- C10 H10 Br2 O2 -","- C40 H40 Br8 O8 -","4","1","NA1173","Li, S.; Lundquist, K.; Soubbotin, N.; Stomberg, R.","2-Bromo-4-[2-bromo-(<i>E</i>)-propylidene]-6-methoxy-2,5-cyclohexadien-1-one","Acta Crystallographica Section C","1995","51","11","2366","2369","10.1107/S0108270195006317","","","0.71073","MoKα","","","0.029","","","0.031","","","","","1.19","1.19","","","","","has coordinates,has disorder","192026","2020-10-21","18:00:00",""
"2004180","12.641","0.002","5.5304","0.001","13.615","0.003","90","","105.847","0.015","90","","915.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","3,7-Dimethyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide inner salt","","- C8 H9 N3 O2 S -","- C8 H9 N3 O2 S -","- C32 H36 N12 O8 S4 -","4","1","PA1192","Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.","3,7-Dimethyl-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Zwitterion","Acta Crystallographica Section C","1995","51","11","2414","2416","10.1107/S010827019500802X","","","1.5418","CuKα","","0.0636","0.0454","","0.1281","0.1208","","","","0.948","1.063","1.063","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004203","12.421","0.008","12.67","0.007","18.45","0.009","90","","95.48","0.05","90","","2890","3","298","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C30 H48 N2 O -","- C30 H48 N2 O -","- C120 H192 N8 O4 -","4","1","AS1196","Satake, K.; Hattori, T.; Kimura, M.; Kashino, S.","<i>N</i>-Acetyl-3,6-di-<i>tert</i>-butyl-2-(3,6-di-<i>tert</i>-butyl-3<i>H</i>-azepin-2-yl)-2,3-dihydro-1<i>H</i>-azepine","Acta Crystallographica Section C","1995","51","12","2707","2710","10.1107/S0108270195008833","","","0.71073","MoKα","","","0.047","","","0.03","","","","","1.33","1.33","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004282","9.076","0.004","9.925","0.003","11.833","0.003","90","","109.61","0.02","90","","1004.1","0.6","294","","294","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(Z)-3-[(Methoxycarbonyl)methylene]-1,6-dimethyl-2,6-diazabicyclo [2.2.0]hexan-5-one","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C36 H48 N8 O12 -","4","1","KH1034","Kakuda, H.; Takahashi, Y.; Hirokami, S.-i.","(<i>E</i>)- and (<i>Z</i>)-Enamine Dewar Pyrimidinones","Acta Crystallographica Section C","1995","51","12","2647","2650","10.1107/S0108270195005841","","","0.7107","MoKα","","","0.037","","","0.057","","","","","1.39","1.39","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2004285","14.002","0.003","9.0989","0.0006","15.413","0.004","90","","114.24","0.01","90","","1790.5","0.6","298","2","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H23 N2 O P S3 -","- C14 H23 N2 O P S3 -","- C56 H92 N8 O4 P4 S12 -","4","1","KH1044","Bottle, S. E.; Bott, R. C.; Smith, G.; Wermuth, U. D.; Kennard, C. H. L.","Novel Six- and Eight-Membered Heterocycles. A Trithiadiazaphosphorinane and a Pentathiadiazaphosphocine","Acta Crystallographica Section C","1995","51","12","2633","2637","10.1107/S0108270195009188","","","0.71073","MoKα","","","0.0367","","0.1133","","","","","0.959","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004293","11.772","0.005","9.346","0.003","17.186","0.008","90","0.03","91.7","0.04","90","0.03","1890","1.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(2-hydroxyethyl)N-dihydroxyethylammonium 2-(2,6-dichlorophenylamino)phenylacetate","","- C18 H22 Cl2 N2 O4 -","- C18 H22 Cl2 N2 O4 -","- C72 H88 Cl8 N8 O16 -","4","1","NA1170","Castellari, C.; Ottani, S.","Anti-Inflammatory Drugs. II. Salt of 2-(2,6-Dichlorophenylamino)phenylacetic Acid with Diethanolamine","Acta Crystallographica Section C","1995","51","12","2612","2615","10.1107/S010827019500730X","","","0.71069","MoKα","","0.1163","0.0344","","0.0998","0.0773","","","","1.006","1.125","1.125","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004315","10.55","0.001","9.071","0.002","15.146","0.002","90","","103.37","0.01","90","","1410.2","0.4","213","","213","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C13 H15 Cl N2 O2 S -","- C13 H15 Cl N2 O2 S -","- C52 H60 Cl4 N8 O8 S4 -","4","1","PT1026","Chai, C. L. L.; Hockless, D. C. R.","<i>trans</i>-3-(<i>p</i>-Chlorophenylthio)-1,4,6-trimethylpiperazine-2,5-dione","Acta Crystallographica Section C","1995","51","12","2579","2581","10.1107/S0108270195007219","","","1.5418","CuKα","","0.0397","0.036","","0.0417","0.041","","","","","2.99","2.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004346","7.307","0.002","12.327","0.001","12.33","0.003","90","","100.12","0.01","90","","1093.3","0.4","298","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H9 N5 O5 -","- C9 H9 N5 O5 -","- C36 H36 N20 O20 -","4","1","AS1156","Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L.","Molecular Co-Crystals of Carboxylic Acids. 23. The 1:1 Adducts of 3-Amino-1<i>H</i>-1,2,4-triazole with 5-Nitrosalicylic Acid and 3,5-Dinitrosalicylic Acid","Acta Crystallographica Section C","1996","52","1","231","235","10.1107/S0108270195010602","","","0.71073","MoKα","","","0.035","","","0.091","","","","","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004372","12.525","0.003","8.49","0.002","15.697","0.006","90","","104.19","0.03","90","","1618.2","0.9","299","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","1","CR1175","Gi, H.-J.; Wang, T.; Zhao, K.","1β-(4-Methoxybenzyl)-8α-vinyl-7-oxabicyclo[4.3.0]nonan-6β-ol","Acta Crystallographica Section C","1996","52","1","186","187","10.1107/S0108270195008225","","","0.71073","MoKα","","","0.057","","","0.061","","","","","5.7","5.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004407","7.336","0.001","7.401","0.002","10.408","0.004","90","","93.34","0.02","90","","564.1","0.3","296","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H10 Cd Cl4 N2 -","- C6 H10 Cd Cl4 N2 -","- C12 H20 Cd2 Cl8 N4 -","2","0.5","MU1132","Ye, Q.; Meng, Q.-J.; You, X.-Z.; Huang, X.-Y.","The Intercalation Compound 1,4-Benzenediammonium Tetrachlorocadmate(II)","Acta Crystallographica Section C","1996","52","1","33","35","10.1107/S0108270195007797","","","0.71069","MoKα","","","0.055","","","0.064","","","","","2.45","2.45","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004428","23.093","0.009","25.688","0.01","6.05","0.002","90","","97.16","0.04","90","","3561","2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1-{[4-(4-bromophényl)]-3-butène-2-one-1-yl}-2-{[3-(2,6,6-triméthyl-1- cyclohexène-1-yl)]-2-propène-1-one-1-yl}-3-[(4-bromophényl)-1-yl]- 1,2,3,4,5,6,7,8-octahydro-8,8-diméthyl-naphtalène","","- C40 H46 Br2 O2 -","- C40 H46 Br2 O2 -","- C160 H184 Br8 O8 -","4","1","PA1183","Ginderow, D.","3-(4-Bromophényl)-1-[4-(4-bromophényl)-3-butène-2-one-1-yl]-2-[3-(2,6,6-triméthyl-1-cyclohexène-1-yl)-2-propène-1-one-1-yl]-1,2,3,4,5,6,7,8-octahydro-8,8-diméthylnaphtalène","Acta Crystallographica Section C","1996","52","1","256","259","10.1107/S0108270195008985","","","1.5418","CuKα","","0.0704","0.0517","","0.1694","0.1452","","","","1.083","1.083","1.083","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004465","10.322","0.003","14.909","0.001","9.8059","0.0008","90","","109.48","0.01","90","","1422.7","0.4","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H19 N O2 -","- C19 H20 N O2 -","- C76 H80 N4 O8 -","4","1","AS1204","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","Coumarin 106, C~18~H~19~NO~2~","Acta Crystallographica Section C","1996","52","2","364","365","10.1107/S0108270195010845","","","1.54184","CuKα","","","0.051","","","0.066","","","","","2.85","2.85","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004566","23.803","0.003","8.4646","0.001","11.083","0.002","90","","98.13","0.04","90","","2210.6","0.6","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","sc^*^(9S^*^)-8-chloro-1,4-dimethyl-9-(2-methylbenzyl)triptycene","","- C30 H25 Cl -","- C30 H25 Cl -","- C120 H100 Cl4 -","4","1","AS1189","Nemoto, T.; Ohashi, Y.; Yamamoto, G.","<i>ap</i>-8-Chloro-1,4-dimethyl-9-(2-methylbenzyl)triptycene and <i>sc</i>*(9<i>S</i>*)-8-Chloro-1,4-dimethyl-9-(2-methylbenzyl)triptycene","Acta Crystallographica Section C","1996","52","3","716","720","10.1107/S0108270195009048","","","1.54184","CuKα","","0.1001","0.089","","0.2291","0.219","","","","1.109","1.143","1.143","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2004614","8.748","0.001","17.697","0.002","8.418","0.001","90","","109.01","0.03","90","","1232.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C56 H48 O12 S4 -","4","1","HU1074","Hellier, D. G.; Motevalli, M.","<i>cis</i>,<i>trans</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide, <i>cis</i>,<i>cis</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide and 4,4-Diphenyl-1,3,2-dioxathiolane 2-Oxide","Acta Crystallographica Section C","1996","52","3","739","743","10.1107/S0108270195012984","","","0.71069","MoKα","","0.0546","0.0357","","0.1284","0.1203","","","","1.017","1.13","1.13","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004636","14.28","0.003","10.426","0.002","16.112","0.004","90","","112.065","0.014","90","","2223.1","0.9","240","0.2","240","0.2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Tetrakis(dimethylsulphoxide-κ-O)copper(II) bis(perchlorate)","","- C8 H24 Cl2 Cu O12 S4 -","- C8 H24 Cl2 Cu O12 S4 -","- C32 H96 Cl8 Cu4 O48 S16 -","4","1","KH1069","Blake, A. J.; Grimditch, R. S.; Parsons, S.; Schröder, M.","Tetrakis(dimethyl sulfoxide-<i>O</i>)copper(II) Bis(perchlorate)","Acta Crystallographica Section C","1996","52","3","514","516","10.1107/S0108270195013795","","","0.71073","MoKα","","0.1548","0.0649","","0.1349","0.106","","","","0.977","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004669","8.289","0.005","6.312","0.004","11.786","0.004","90","","93.19","0.03","90","","615.7","0.6","295","1","295","1","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C18 H12 -","- C18 H12 -","- C36 H24 -","2","0.5","AB1295","Capparelli, M. V.; Machado, R.; De Sanctis, Y.; Arce, A. J.","<i>trans</i>-1,1'-Bis(indenylidene)","Acta Crystallographica Section C","1996","52","4","947","949","10.1107/S0108270195014600","","","0.71069","MoKα","","","0.0421","","","0.0428","","","","","2.908","2.908","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004894","21.64","0.002","7.866","0.001","6.72","0.01","90","0.01","96.16","0.01","90","0.009","1137.3","1.7","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","ethyl p-methoxycinnamate","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","KA1167","Luger, P.; Weber, M.; Dung, N. X.; Tuyet, N. T. B.","Ethyl <i>p</i>-Methoxycinnamate from <i>Kaempferia galanga L</i>. in Vietnam","Acta Crystallographica Section C","1996","52","5","1255","1257","10.1107/S0108270195016027","","","1.5418","CuKαradiation,Nifiltered","","0.053","0.039","","0.044","0.034","","","","0.497","0.418","0.418","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004934","7.701","0.002","40.02","0.005","4.6437","0.0006","90","","107.34","0.01","90","","1366.1","0.4","123","","123","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H28 Cl N O -","- C11 H28 Cl N O -","- C44 H112 Cl4 N4 O4 -","4","1","CF1038","Silver, J.; Martin, S.; Marsh, P. J.; Frampton, C. S.","<i>n</i>-Undecylammonium Chloride Monohydrate","Acta Crystallographica Section C","1996","52","5","1261","1263","10.1107/S0108270195015770","","","0.7107","MoKα","","","0.0293","","","0.0324","","","","","1.67","1.67","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004962","6.7341","0.0006","19.76","0.002","8.1797","0.0015","90","","102.085","0.009","90","","1064.3","0.2","294","1","294","1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1,3-adamantanedicarboxylic acid","","- C12 H16 O4 -","- C12 H15.806 O4 -","- C48 H63.224 O16 -","4","1","CF1046","Glidewell, C.; Ferguson, G.","1,3-Adamantanedicarboxylic Acid and 1,3-Adamantanediacetic Acid","Acta Crystallographica Section C","1996","52","6","1466","1470","10.1107/S0108270195016593","","","0.7107","MoKα","","0.1444","0.0499","","0.1458","0.1233","","","","0.863","1.186","1.186","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004963","23.677","0.014","7.739","0.005","14.73","0.014","90","","110.23","0.05","90","","2533","3","294","1","294","1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1,3-Adamantanediacetic acid","","- C14 H20 O4 -","- C14 H20 O4 -","- C112 H160 O32 -","8","2","CF1046","Glidewell, C.; Ferguson, G.","1,3-Adamantanedicarboxylic Acid and 1,3-Adamantanediacetic Acid","Acta Crystallographica Section C","1996","52","6","1466","1470","10.1107/S0108270195016593","","","0.7107","MoKα","","0.1517","0.0654","","0.186","0.1641","","","","0.967","1.327","1.327","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004989","11.105","0.002","8.978","0.002","17.219","0.001","90","","90.13","0.01","90","","1716.7","0.5","296","","296","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H20 Cl N3 -","- C19 H20 Cl N3 -","- C76 H80 Cl4 N12 -","4","1","FG1153","Parvez, M.; Sabir, A. P.","Clemizole","Acta Crystallographica Section C","1996","52","6","1572","1574","10.1107/S0108270196000819","","","0.71069","MoKα","","","0.0473","","","0.0472","","","","","2.825","2.825","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005007","9.732","0.002","13.903","0.003","9.116","0.002","90","","99.99","0.01","90","","1214.7","0.5","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(5R^*^,7S^*^,9S^*^)-7-chloro-7-methyl-3-oxo-octahydro-indolizidine-5- carboxylic acid methyl ester","","- C11 H16 Cl N O3 -","- C11 H16 Cl N O3 -","- C44 H64 Cl4 N4 O12 -","4","1","JZ1068","De Ridder, D. J. A.; Goubitz, K.; Reiss, C. A.; Schenk, H.; Hiemstra, H.","One Bicyclic β-Lactam and Two Bicyclic γ-Lactam Compounds","Acta Crystallographica Section C","1996","52","6","1473","1479","10.1107/S0108270195014788","","","0.71069","MoKα","","0.048","0.048","","0.047","0.047","","","","0.783","0.783","0.783","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005030","10.538","0.001","8.895","0.001","16.031","0.001","90","","102.742","0.009","90","","1465.7","0.2","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H23 N O3 -","- C14 H23 N O3 -","- C56 H92 N4 O12 -","4","1","LI1142","Zukerman-Schpector, J.; Caracelli, I.; de Oliveira, S. Ma.; Faria de Medeiros, E.; Brocksom, T. J.","A Key Intermediate in the Synthesis of (+)-Hernandulcin","Acta Crystallographica Section C","1996","52","6","1579","1581","10.1107/S010827019600008X","","","0.71073","MoKα","","0.1881","0.0535","","0.1715","0.1048","","","","1.127","1.154","1.154","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005091","9.68","0.003","13.093","0.003","16.607","0.005","90","0.02","91.82","0.03","90","0.02","2103.7","1","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(2-hydroxyethyl)piperidinium[2-[(2,6-dichlorophenyl)amino]phenyl]acetate","","- C21 H26 Cl2 N2 O3 -","- C21 H26 Cl2 N2 O3 -","- C84 H104 Cl8 N8 O12 -","4","1","BM1046","Castellari, C.; Sabatino, P.","Anti-Inflammatory Drugs. III. Salts of Diclofenac with <i>N</i>-(2-Hydroxyethyl)piperidine, <i>N</i>-(2-Hydroxyethyl)morpholine and <i>N</i>-(2-Hydroxyethyl)piperazine","Acta Crystallographica Section C","1996","52","7","1708","1712","10.1107/S0108270196000571","","","0.71069","MoKα","","0.1544","0.0399","","0.1345","0.0961","","","","1.003","1.136","1.136","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005092","9.525","0.002","12.962","0.004","16.579","0.007","90","","91.81","0.03","90","","2045.9","1.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(2-hydroxyethyl)morpholinium[2-[(2,6-dichlorophenyl)amino]phenyl]acetate","","- C20 H24 Cl2 N2 O4 -","- C20 H24 Cl2 N2 O4 -","- C80 H96 Cl8 N8 O16 -","4","1","BM1046","Castellari, C.; Sabatino, P.","Anti-Inflammatory Drugs. III. Salts of Diclofenac with <i>N</i>-(2-Hydroxyethyl)piperidine, <i>N</i>-(2-Hydroxyethyl)morpholine and <i>N</i>-(2-Hydroxyethyl)piperazine","Acta Crystallographica Section C","1996","52","7","1708","1712","10.1107/S0108270196000571","","","0.71069","MoKα","","0.0811","0.0428","","0.1208","0.1006","","","","1.035","1.102","1.102","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005093","9.681","0.005","13.083","0.004","16.582","0.005","90","0.03","91.66","0.04","90","0.03","2099.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(2-hydroxyethyl)piperazinium[2-[(2,6-dichlorophenyl)amino]phenyl]acetate","","- C20 H25 Cl2 N3 O3 -","- C20 H25 Cl2 N3 O3 -","- C80 H100 Cl8 N12 O12 -","4","1","BM1046","Castellari, C.; Sabatino, P.","Anti-Inflammatory Drugs. III. Salts of Diclofenac with <i>N</i>-(2-Hydroxyethyl)piperidine, <i>N</i>-(2-Hydroxyethyl)morpholine and <i>N</i>-(2-Hydroxyethyl)piperazine","Acta Crystallographica Section C","1996","52","7","1708","1712","10.1107/S0108270196000571","","","0.71069","MoKα","","0.1858","0.0422","","0.159","0.1102","","","","1.011","1.185","1.185","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005104","18.678","0.009","7.627","0.003","19.099","0.01","90","","116.6","0.04","90","","2433","2","198","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H30 I N Sn -","- C24 H30 I N Sn -","- C96 H120 I4 N4 Sn4 -","4","1","CF1055","Howie, R. A.; Wardell, J. L.","Trimethyl[3-(triphenylstannyl)propyl]ammonium Iodide","Acta Crystallographica Section C","1996","52","7","1668","1670","10.1107/S0108270196000881","","","0.71073","MoKα","","","0.043","","","0.043","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005148","8.551","0.003","36.14","0.01","5.857","0.002","90","","95.09","0.03","90","","1802.9","1","243","2","243","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","8OCB","4'-octyloxy-4-cyanobiphenyl","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","KH1089","Hori, K.; Kurosaki, M.; Wu, H.; Itoh, K.","Two Crystal Forms of 4'-octyloxy-4-cyanobiphenyl (8OCB)","Acta Crystallographica Section C","1996","52","7","1751","1754","10.1107/S0108270196003447","","","0.7107","MoKα","","0.1004","0.0674","","0.2524","0.2313","","","","0.682","0.735","0.735","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005167","6.933","0.002","22.519","0.004","7.408","0.002","90","","94.6","0.03","90","","1152.8","0.5","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","γ-Lactone","methyl 11-oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","PA1219","Pèpe, G.; Astier, J.-P.; Lamarque, L.; Méou, A.; Brun, P.","γ-Lactones: Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate, Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate and Methyl 9-Oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate","Acta Crystallographica Section C","1996","52","7","1695","1699","10.1107/S010827019600193X","","","1.5418","CuKα","","0.0479","0.0479","","0.0479","0.0479","","","","0.71","0.71","0.71","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2005168","7.116","0.002","23.074","0.004","7.266","0.002","90","","100.45","0.03","90","","1173.2","0.5","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","γ-Lactone","methyl 11-oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","PA1219","Pèpe, G.; Astier, J.-P.; Lamarque, L.; Méou, A.; Brun, P.","γ-Lactones: Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate, Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate and Methyl 9-Oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate","Acta Crystallographica Section C","1996","52","7","1695","1699","10.1107/S010827019600193X","","","1.5418","CuKα","","0.0424","0.0424","","0.0424","0.0424","","","","0.64","0.64","0.64","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2005169","7.147","0.002","23.199","0.004","7.357","0.002","90","","100.5","0.03","90","","1199.4","0.5","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","γ-Lactone","methyl 9-oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","PA1219","Pèpe, G.; Astier, J.-P.; Lamarque, L.; Méou, A.; Brun, P.","γ-Lactones: Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate, Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate and Methyl 9-Oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate","Acta Crystallographica Section C","1996","52","7","1695","1699","10.1107/S010827019600193X","","","1.5418","CuKα","","0.0442","0.0442","","0.0442","0.0442","","","","0.66","0.66","0.66","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2005251","14.605","0.003","9.877","0.002","7.569","0.001","90","","92.44","0.02","90","","1090.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H30 N2 S4 Zn2 -","- C14 H30 N2 S4 Zn2 -","- C28 H60 N4 S8 Zn4 -","2","0.5","HU1091","Malik, M. A.; O'Brien, P.; Motevalli, M.","Bis(μ-diethyldithiocarbamato)-1κ<i>S</i>,1:2κ^2^<i>S</i>';2κ<i>S</i>,1:2κ^2^<i>S</i>'-bis(ethylzinc)","Acta Crystallographica Section C","1996","52","8","1931","1933","10.1107/S0108270196002831","","","0.71069","MoKα","","0.05","0.0337","","0.0918","0.0886","","","","1.024","1.138","1.138","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005312","20.992","0.002","6.948","0.001","10.083","0.001","90","","102.15","0.01","90","","1437.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H16 N8 O5 S -","- C8 H16 N8 O5 S -","- C32 H64 N32 O20 S4 -","4","1","VJ1008","Gomes, A. C.; Biswas, G.; Pain (Biswas), S.; Ghosh, S.; Ghosh, D.; Iitaka, Y.; Banerjee, A.","Bis(2,4-diaminopyrimidinium) Sulfate Monohydrate, 2C~4~H~7~N~4~^+^.SO~4~^2{-^}.H~2~O","Acta Crystallographica Section C","1996","52","8","2020","2022","10.1107/S0108270195009656","","","1.5418","CuKα","","0.0568","0.0549","","0.1631","0.1514","","","","1.087","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005382","9.1259","0.0008","21.802","0.001","9.0555","0.0009","90","","102.85","0.008","90","","1756.6","0.3","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","KH1085","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","Coumarin 338","Acta Crystallographica Section C","1996","52","9","2363","2365","10.1107/S0108270196004362","","","1.54184","CuKα","","","0.052","","","0.087","","","","","2.3","2.3","","","","","has coordinates,has disorder","206251","2020-10-21","18:00:00",""
"2005412","8.925","0.004","23.48","0.012","8.049","0.003","90","","96.36","0.03","90","","1676.4","1.3","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","trans-1,4-dimethyl-7,7-diphenylbicyclo[4.1.0]hepta-2,5-dione","","- C21 H20 O2 -","- C21 H20 O2 -","- C84 H80 O8 -","4","1","OA1000","Moriwaki, H.; Kawamoto, T.; Oshima, T.","Half-Chair Conformation of <i>trans</i>-1,4-Dimethyl-7,7-diphenylbicyclo[4.1.0]hepta-2,5-dione","Acta Crystallographica Section C","1996","52","9","2269","2271","10.1107/S0108270196003435","","","0.71073","MoKα","","","0.0699","","","0.0709","","","","","0.81","0.81","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005424","7.671","0.001","20.414","0.002","8.326","0.002","90","","112.39","0.02","90","","1205.5","0.4","295","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H14 N6 -","- C10 H14 N6 -","- C40 H56 N24 -","4","1","SK1005","Küçükbay, H.; Çetinkaya, E.; Ülkü, D.; Tahir, M. N.","(1<i>E</i>,3<i>Z</i>,5<i>E</i>)-2,5-Diaza-1,6-bis(dimethylamino)-1,3,5-hexatriene-3,4-dicarbonitrile","Acta Crystallographica Section C","1996","52","9","2271","2272","10.1107/S0108270196004453","","","0.71073","MoKα","","","0.045","","","0.043","","","","","0.76","0.76","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005442","10.589","0.003","9.396","0.002","21.132","0.005","90","0.02","93.24","0.02","90","0.02","2099.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tris(2-hydroxyethyl)ammonium (2,6-dichlorophenyl)amino-phenylacetate (HTEA.D)","","- C20 H26 Cl2 N2 O5 -","- C20 H26 Cl2 N2 O5 -","- C80 H104 Cl8 N8 O20 -","4","1","AB1345","Castellari, C.; Ottani, S.","Diclofenac Salts. IV. Tris(2-hydroxyethyl)ammonium 2-(2,6-Dichlorophenylamino)phenylacetate","Acta Crystallographica Section C","1996","52","10","2619","2622","10.1107/S0108270196006300","","","0.71069","MoKα","","0.1955","0.0464","","0.1006","0.0698","","","","0.955","1.133","1.133","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2005459","16.716","0.005","13.765","0.005","17.782","0.003","90","","117.18","0.02","90","","3639.8","1.9","294","1","294","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1,3,5-Trihydroxybenzene‒4,4'-Bipyridyl (2/3)","","- C42 H36 N6 O6 -","- C42 H36 N6 O6 -","- C168 H144 N24 O24 -","4","1","AB1404","Coupar, P. I.; Ferguson, G.; Glidewell, C.","Hydrogen-Bonded Chains in 4,4'-Dihydroxybenzophenone‒4,4'-Bipyridyl (1/1) and Chains of Rings in 1,3,5-Trihydroxybenzene‒4,4'-Bipyridyl (2/3)","Acta Crystallographica Section C","1996","52","10","2524","2528","10.1107/S0108270196008669","","","0.7107","MolybdenumKα","","0.2379","0.0769","","0.1875","0.1428","","","","0.905","1.486","1.486","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005514","7.495","0.001","12.18","0.001","13.75","0.001","90","","104.38","0.01","90","","1215.9","0.2","150","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","6-(4-Methoxyphenyl)thieno[2,3-d]-1,3-dithiole-2-thione","","- C12 H8 O S4 -","- C12 H8 O S4 -","- C48 H32 O4 S16 -","4","1","HA1162","Ozturk, T.; Wallis, J. D.","6-(4-Methoxyphenyl)thieno[2,3-<i>d</i>][1,3]dithiole-2-thione at 150K","Acta Crystallographica Section C","1996","52","10","2552","2554","10.1107/S0108270196005264","","","0.71069","MoKα","","0.0632","0.0551","","0.1312","0.1288","","","","1.011","1.098","1.098","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005531","10.598","0.002","9.184","0.002","16.683","0.003","90","0.01","108.39","0.02","90","0.01","1540.9","0.6","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(±)-3-formyl-1-methyl-2-(2-phenylethyl)Cyclohex-2-enecarboxylic acid","","- C17 H20 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","LI1144","Ghosh, S.; Mostafa, G.; Mukherjee, M.; Pal, S.; Mukherjee, A. K.","(±)-3-Formyl-1-methyl-2-(2-phenylethyl)cyclohex-2-enecarboxylic Acid: an Investigation of Disorder","Acta Crystallographica Section C","1996","52","10","2507","2510","10.1107/S0108270196005586","","","1.5418","CuKα","","0.1535","0.1052","","0.4178","0.2897","","","","1.197","1.119","1.119","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005556","10.388","0.002","16.781","0.007","11.234","0.002","90","","115.6","0.02","90","","1766.1","0.9","138","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C30 H30 O2 Te6 Ti6 -","- C30 H30 O2 Te6 Ti6 -","- C60 H60 O4 Te12 Ti12 -","2","0.5","SZ1028","Gindelberger, D. E.","[(CpTi)~6~(μ~3~-Te)~6~(μ~3~-O)~2~]","Acta Crystallographica Section C","1996","52","10","2493","2495","10.1107/S0108270196004854","","","0.71073","MoKα","","","0.0318","","","0.0373","","","","","1.543","1.543","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005573","19.05","0.002","8.9927","0.0008","10.418","0.002","90","","101.05","0.01","90","","1751.6","0.4","295","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Triphenylphosphinecarbomethoxymethylene","","- C21 H19 O2 P -","- C21 H19 O2 P -","- C84 H76 O8 P4 -","4","1","BK1237","Boyle, P. D.","Methyl Triphenylphosphoranylideneacetate: a Redetermination","Acta Crystallographica Section C","1996","52","11","2859","2861","10.1107/S0108270196007561","","","0.71069","MolybdenumKα","","0.042","0.042","","0.051","0.051","","","","","1.61","1.61","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005591","13.495","0.001","9.666","0.01","19.718","0.001","90","","109.108","0.005","90","","2430","3","130","","130","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H29 N O3 Sn -","- C25 H29 N O3 Sn -","- C100 H116 N4 O12 Sn4 -","4","1","BM1087","Meetsma, A.; Dijkstra, H. P.; ten Have, R.; van Leusen, A. M.","An Unexpected Trimethylstannylpyrrole from a Stannylated Derivative of Tosylmethyl Isocyanide (TosMIC) and Chalcone","Acta Crystallographica Section C","1996","52","11","2747","2750","10.1107/S0108270196009286","","","0.71073","MoKα","","0.0338","0.0249","","0.0689","0.0586","","","","1.071","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005719","10.058","0.001","4.971","0.002","22.924","0.002","90","","97.897","0.009","90","","1135.3","0.5","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","2-naphthylbutyric acid","4-(2-naphthyl)butanoic acid","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","BK1262","Dobson, A. J.; Gerkin, R. E.","4-(2-Naphthyl)butanoic Acid","Acta Crystallographica Section C","1996","52","12","3083","3086","10.1107/S0108270196009547","","","0.71073","MoKα","","","0.04","","","0.048","","","","","1.63","1.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005829","10.027","0.001","11.037","0.002","12.472","0.001","90","","112.015","0.009","90","","1279.6","0.3","296","1","296","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","TA1091","Hockless, D. C. R.; Whittall, I. R.; Humphrey, M. G.","(<i>E</i>)- and (<i>Z</i>)-4-Ethynyl-4'-nitrostilbene","Acta Crystallographica Section C","1996","52","12","3222","3224","10.1107/S0108270196009845","","","1.5418","CuKα","","","0.0377","","","0.04","","","","","2.876","2.876","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005831","13.793","0.007","8.247","0.004","13.699","0.007","90","","104.52","0.01","90","","1508.5","1.3","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","3-(4'-Methoxyphenyl)-2,2,4,4-tetramethylpentane","","- C16 H26 O -","- C16 H26 O -","- C64 H104 O4 -","4","1","TA1097","Collins, D. J.; Fallon, G. D.; Jacobs, H. A.","Conformation of Crystalline 3-(4-Methoxyphenyl)-2,2,4,4-tetramethylpentane","Acta Crystallographica Section C","1996","52","12","3232","3234","10.1107/S0108270196011031","","","1.5418","CuKα","","","0.066","","","0.069","","","","","1.72","1.72","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005865","11.503","0.002","18.218","0.005","9.305","0.002","90","","110.359","0.005","90","","1828.2","0.7","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N,N'-Bis(1-pyrenylmethyl)-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane","","- C46 H46 N2 O4 -","- C46 H46 N2 O4 -","- C92 H92 N4 O8 -","2","0.5","HA1169","Kubo, K.; Kato, N.; Sakurai, T.","<i>N</i>,<i>N</i>'-Bis(1-pyrenylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane","Acta Crystallographica Section C","1997","53","1","132","134","10.1107/S0108270196011808","","","1.54184","CuKα","","0.07","0.0474","","0.1506","0.1325","","","","1.03","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005903","15.804","0.002","15.112","0.002","12.684","0.002","90","","104.89","0.01","90","","2927.6","0.7","296","","23","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C26 H28 Cl3 N6 O4 Sm -","- C26 Cl3 N6 O4 Sm -","- C104 Cl12 N24 O16 Sm4 -","4","1","TA1110","Jin, H.-Y.; Akiba, M.; Umakoshi, K.; Sasaki, Y.; Kabuto, K.","Dichloro[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis(2-pyridylmethyl)ethylenediamine]samarium(III) Perchlorate","Acta Crystallographica Section C","1997","53","1","60","63","10.1107/S0108270196009924","","","0.71069","MoKα","","","0.049","","","0.043","","","","","2.248","2.248","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005946","12.506","0.002","9.778","0.002","14.995","0.003","90","","95.43","0.05","90","","1825.4","0.6","295","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H23 N O2 Sn -","- C18 H23 N O2 Sn -","- C72 H92 N4 O8 Sn4 -","4","1","NA1265","Tahir, M. N.; Ülkü, D.; Danish, M.; Ali, S.; Badshah, A.; Mazhar, M.","{2-[(2,3-Dimethylphenyl)amino]benzoato-<i>O</i>:<i>O</i>'}-trimethyltin(IV)","Acta Crystallographica Section C","1997","53","2","183","185","10.1107/S0108270196013157","","","0.71073","MoKα","","","0.021","","","0.029","","","","","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005956","14.935","0.004","12.158","0.006","17.499","0.009","90","","96.3","0.03","90","","3158","2","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C12 H38 Mo5 N4 O23 P2 -","- C12 H38 Mo5 N4 O23 P2 -","- C48 H152 Mo20 N16 O92 P8 -","4","1","TA1123","Harrison, W. T. A.; Dussack, L. L.; Jacobson, A. J.","Bis(piperazinium) Pentakis(trioxomolybdo)bis(ethylphosphonate) Dihydrate","Acta Crystallographica Section C","1997","53","2","200","202","10.1107/S0108270196012024","","","0.71073","MoKα","","","0.024","","","0.022","","","","","2.9","2.9","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2006012","13.636","0.002","12.597","0.002","13.794","0.001","90","","97.875","0.009","90","","2347.1","0.5","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","fluorescein sodium","sodium 2-(3-oxo-sodioxy-3H-xanthen-9-yl)benzoate","","- C20 H26 Na2 O13 -","- C20 H26 Na2 O13 -","- C80 H104 Na8 O52 -","4","1","OA1007","Yamaguchi, K.; Tamura, Z.; Maeda, M.","Disodium Fluorescein Octahydrate","Acta Crystallographica Section C","1997","53","3","284","285","10.1107/S0108270196010487","","","1.5418","CuKα","","","0.0637","","","0.0777","","","","","2.114","2.114","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2006025","7.435","0.002","18.709","0.003","7.5618","0.0013","90","","113.078","0.014","90","","967.7","0.4","294","","294","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","bis(3-methyladenine)dichlorodimethyltin(IV)","","- C14 H20 Cl2 N10 Sn -","- C14 H20 Cl2 N10 Sn -","- C28 H40 Cl4 N20 Sn2 -","2","0.5","AB1424","Hazell, A.; Ouyang, J.; Khoo, L. E.","Dichlorodimethylbis(3-methyladenine-<i>N</i>^7^)tin(IV)","Acta Crystallographica Section C","1997","53","4","406","408","10.1107/S0108270196015132","","","0.71073","MoKα","","","0.043","","","0.054","","","","","1.81","1.81","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2006042","12.928","0.005","5.546","0.005","16.445","0.005","90","","92.392","0.005","90","","1178.1","1.2","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-Methylamino-5-chlorobenzophenone","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","BM1125","Cox, P. J.; Anisuzzaman, A. T. Md.; Skellern, G. G.; Pryce-Jones, R. H.; Florence, A. J.; Shankland, N.","2-Methylamino-5-chlorobenzophenone","Acta Crystallographica Section C","1997","53","4","476","477","10.1107/S0108270196014928","","","0.71069","MoKα","","0.0569","0.033","","0.0708","0.064","","","","0.736","0.881","0.881","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006050","8.058","0.001","14.546","0.003","12.247","0.002","90","","95.57","0.01","90","","1428.7","0.4","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(3-(η^5^-cyclopentadienylamido)propionic acid)(tricarbonyl)rhenium","","- C12 H10 N O6 Re -","- C12 H10 N O6 Re -","- C48 H40 N4 O24 Re4 -","4","1","DU1167","Bennouna, A.; Mousser, A.; Gorfti, A.; Salmain, M.; Cabestaing, C.; Jaouen, G.","Tricarbonyl[3-(η^5^-cyclopentadienylcarbonylamino)propionic acid]rhenium","Acta Crystallographica Section C","1997","53","4","447","449","10.1107/S0108270196014643","","","0.71073","MoKα","","","0.03","","","0.033","","","","","0.972","0.972","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006074","10.152","0.003","9.407","0.003","19.448","0.008","90","","90.12","0.03","90","","1857.3","1.1","293","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tris(2-hydroxymethyl)methylammonium (2,6-dichlorophenyl)amino-phenylacetate (HTRIS.D)","","- C18 H22 Cl2 N2 O5 -","- C18 H22 Cl2 N2 O5 -","- C72 H88 Cl8 N8 O20 -","4","1","NA1262","Castellari, C.; Ottani, S.","Anti-Inflammatory Drugs. V. [Tris-(2-hydroxymethyl)methyl]ammonium 2-[(2,6-Dichlorophenyl)amino]phenylacetate (TRISH. D)","Acta Crystallographica Section C","1997","53","4","482","486","10.1107/S0108270196013649","","","0.71069","MoKα","","0.1153","0.0403","","0.0866","0.067","","","","0.996","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006079","12.268","0.002","7.52","0.002","12.338","0.002","90","","91.86","0.01","90","","1137.6","0.4","295","1","296","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H11 Br2 N -","- C10 H11 Br2 N -","- C40 H44 Br8 N4 -","4","1","OA1016","Banwell, M. G.; Hockless, D. C. R.; Wu, A. W.","(<i>E</i>)-3-(2,2-Dibromospiro[2.4]heptan-1-yl)propenenitrile","Acta Crystallographica Section C","1997","53","4","504","506","10.1107/S0108270196014886","","","1.5418","CuKα","","0.1363","0.0774","","0.0605","0.0563","","","","1.743","2.107","2.107","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006134","10.267","0.001","8.505","0.001","14.996","0.001","90","","96.85","0.01","90","","1300.1","0.2","298","","299","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","3-acetonylbicyclo[6.3.0]undecane-2,6-dione","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","OA1017","Ohba, Shigeru; Umehara, Misao","3-Acetonylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-Acetonyl-4,4-dimethylbicyclo[6.3.0]undecane-2,6-dione, (II), 7,12-Dihydroxy-12-methyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one Monohydrate, (III), and 8,8-Dimethyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)","Acta Crystallographica Section C","1997","53","5","616","620","10.1107/S0108270196015661","","","0.71073","MoKα","","","0.0605","","","0.0529","","","","","1.16","1.16","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2006198","16.179","0.002","10.992","0.002","16.695","0.002","90","","106.42","0.01","90","","2847.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4,6,10,12-tetraphenyl-1,3-dithia-7,9-dioxacyclododecane","","- C32 H32 O2 S2 -","- C32 H32 O2 S2 -","- C128 H128 O8 S8 -","4","1","CF1105","Llorca, Jordi; Molins, Elies; Flores-Vela, Abelardo; Cruz-Sanchez, Samuel; Juaristi, Eusebio","4,6,10,12-Tetraphenyl-7,9-dioxa-1,3-dithiacyclododecane","Acta Crystallographica Section C","1997","53","6","816","818","10.1107/S0108270197000759","","","0.71069","MoKα","","0.1996","0.0457","","0.1828","0.1363","","","","0.684","0.807","0.807","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006218","14.355","0.002","7.836","0.002","20.353","0.002","90","","106.74","0.01","90","","2192.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H22 Cl5 Cu N3 -","- C16 H22 Cl5 Cu N3 -","- C64 H88 Cl20 Cu4 N12 -","4","1","FG1261","Parvez, Masood; Sabir, Aaliya P.","Chloropyramine Tetrachlorocuprate(II)","Acta Crystallographica Section C","1997","53","6","678","679","10.1107/S0108270197002060","","","0.71069","MoKα","","0.255","0.041","","0.212","0.099","","","","0.933","0.907","0.907","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006242","17.329","0.005","13.631","0.003","6.943","0.002","90","","101.4","0.01","90","","1607.7","0.7","296","","296","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H21 N2 Na O10 V -","- C10 H21 N2 Na O10 V -","- C40 H84 N8 Na4 O40 V4 -","4","1","OA1015","Kan Kanamori; Keisuke Miyazaki; Ken-Ichi Okamoto","Sodium (<i>N</i>-Ethylethylenediamine-<i>N</i>,<i>N</i>',<i>N</i>'-triacetato)oxovanadium(IV) Trihydrate","Acta Crystallographica Section C","1997","53","6","673","675","10.1107/S0108270197000243","","","0.7107","MoKα","","","0.0381","","","0.0617","","","","","1.398","1.398","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2006262","9.89","0.003","14.122","0.003","11.856","0.003","90","","98.04","0.02","90","","1639.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-phenylsulfonyl-3(2-propenyl)chroman-4-one","","- C18 H16 O4 S -","- C18 H16 O4 S -","- C72 H64 O16 S4 -","4","1","VJ1050","Sriram, D.; Srinivasan, S.; Santhosh, K.C.","3-Phenylsulfonyl-3-(2-propenyl)chroman-4-one","Acta Crystallographica Section C","1997","53","6","793","794","10.1107/S0108270197001261","","","0.71073","MoKα","","0.0591","0.0502","","0.1337","0.1274","","","","1.088","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006304","13.943","0.002","8.0371","0.0007","14.374","0.001","90","","108.03","0.01","90","","1531.7","0.3","293","2","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","FG1275","Zukerman-Schpector, J.; Caracelli, I.; Malvestiti, Ivani; Cass, Quezia B.; Battiste, Merle A.","Intermediates in the Synthesis of Forskolin. I","Acta Crystallographica Section C","1997","53","7","969","971","10.1107/S0108270197002965","","","0.71073","MoKα","","0.0797","0.046","","0.14","0.1113","","","","1.083","1.065","1.065","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2006343","13.133","0.004","18.932","0.006","14.646","0.009","90","","95.7","0.03","90","","3623","3","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H38 Mo5 N4 O23 P2 -","- C20 H34 Mo5 N4 O23 P2 -","- C80 H136 Mo20 N16 O92 P8 -","4","1","TA1124","Harrison, William T. A.; Dussack, Laurie L.; Jacobson, Allan J.","Bis(piperazinium) Pentakis(trioxomolybdo)bis(phenylphosphonate) Dihydrate","Acta Crystallographica Section C","1997","53","7","856","859","10.1107/S0108270197002989","","","0.71073","MoKα","","0.022","0.022","","0.035","0.035","","","","","1.84","1.84","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006367","14.33","0.001","16.39","0.003","8.484","0.001","90","","97.4","0.01","90","","1976","0.5","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1-(8,8-Dicyanoheptafulven-3-yl)aza-15-crown-5 Ether","N-(5-Dicyanomethylenecyclohepta-1,3,6- trienyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane","","- C20 H25 N3 O4 -","- C20 H25 N3 O4 -","- C80 H100 N12 O16 -","4","1","BS1019","Kubo, Kanji; Kato, Nobuo; Mori, Akira; Takeshita, Hitoshi","1-(8,8-Dicyanoheptafulven-3-yl)aza-15-crown-5 Ether","Acta Crystallographica Section C","1997","53","8","1136","1137","10.1107/S010827019700512X","","","1.54184","CuKα","","0.0651","0.0504","","0.1491","0.1354","","","","1.051","1.08","1.08","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006370","7.707","0.002","8.72","0.001","18.619","0.002","90","","100.97","0.01","90","","1228.4","0.4","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","methyl 5,8-dimethoxy-1-naphthoate","","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","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","","","0.052","","","0.034","","","","","1.66","1.66","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006380","12.023","0.002","9.446","0.002","15.205","0.002","90","","90.243","0.014","90","","1726.8","0.5","294","","294","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H16 O4 S -","- C20 H16 O4 S -","- C80 H64 O16 S4 -","4","1","FG1284","Jones, Ray; Rattray, A. Graham M.; Scheffer, John R.; Trotter, James","Dimethyl 9,10-Dihydro-9,10-ethenoanthracene-11-carboxylate-12-<i>S</i>-carbonothioate","Acta Crystallographica Section C","1997","53","8","1162","1164","10.1107/S0108270197003892","","","0.7107","MoKα","","0.092","0.0393","","0.0549","0.0496","","","","1.55","1.83","1.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006441","7.596","0.002","22.882","0.011","9.311","0.002","90","","110.18","0.02","90","","1519","0.9","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","trans-decahydroquinoline","N-Nitroso-3,3-dimethyl-2-phenyldecahydroquinolin-4-one","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C68 H88 N8 O8 -","4","1","VJ1058","A.Thiruvalluvar; V.Parthasarathi; D.Natarajan; N.Bhavani; Mohan Bhadbhade","3,3-Dimethyl-<i>N</i>-nitroso-2-phenyldecahydroquinolin-4-one","Acta Crystallographica Section C","1997","53","8","1086","1088","10.1107/S0108270197004770","","","1.5418","CuKα","","0.0722","0.0587","","0.1681","0.1588","","","","1.076","1.148","1.148","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006457","10.58","0.002","5.034","0.002","25.762","0.002","90","","91.56","0.01","90","","1371.6","0.6","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","4-(3-phenanthryl)butanoic acid","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","BK1335","Gerkin, Roger E.","4-(3-Phenanthryl)butanoic Acid","Acta Crystallographica Section C","1997","53","9","1275","1278","10.1107/S0108270197006367","","","0.71073","MoKα","","","0.062","","","","0.115","","","","","","1.24","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006496","11.497","0.002","12.507","0.002","11.789","0.002","90","","101.64","0.02","90","","1660.3","0.5","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","benzophenone-3,3',4,4'-tetracarboxylic acid dihydrate","","","- C17 H14 O11 -","- C17 H14 O11 -","- C68 H56 O44 -","4","1","FR1049","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Benzophenone-3,3',4,4'-tetracarboxylic Acid Dihydrate","Acta Crystallographica Section C","1997","53","9","1267","1270","10.1107/S0108270197006069","","","0.71073","MoKα","","","0.054","","","","0.049","","","","","","1.49","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006541","10.5","0.005","15.507","0.004","6.804","0.004","90","","90.48","0.05","90","","1107.8","0.9","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- Ba2 Cl7 Er -","- Ba2 Cl7 Er -","- Ba8 Cl28 Er4 -","4","1","TA1137","Tsuchiya, S.; Hanaue, Y.; Kimura, E.; Ishizawa, N.","Ba~2~ErCl~7~","Acta Crystallographica Section C","1997","53","9","1180","1181","10.1107/S0108270197004502","","","0.7107","Mo_Kα","","0.047","0.032","","0.03","0.029","","","","1.442","1.527","1.527","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006544","13.087","0.001","9.835","0.001","6.015","0.002","90","","103.33","0.01","90","","753.3","0.3","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Cu4 H6 O10 S -","- Cu4 H6 O10 S -","- Cu16 H24 O40 S4 -","4","1","AB1459","Helliwell, Madeleine; Smith, Joseph V.","Brochantite","Acta Crystallographica Section C","1997","53","10","1369","1371","10.1107/S0108270197006318","","","0.7107","MoKα","","0.1053","0.0416","","0.0492","0.0394","","","","1.467","1.619","1.619","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006584","7.489","0.001","5.534","0.004","18.722","0.002","90","","91.3","0.03","90","","775.7","0.6","296","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","FR1047","Okabe, Nobuo; Inubushi, Chika","Phenylpyruvic Acid","Acta Crystallographica Section C","1997","53","10","1449","1450","10.1107/S0108270197006525","","","0.71069","MoKα","","","0.057","","","0.07","","","","","2.16","2.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006627","7.377","0.001","18.664","0.003","9.897","0.002","90","","95.314","0.008","90","","1356.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(1α,2β,3α,6α,7β,8α,9β,13β)-9,13-dibromo-11-methyl-11-aza- 14,15-dioxa-11-pentacyclo [6.5.1.1^3,6^.0^2,7^.0^9,13^] pentadec-4-en-10,12-dione","","- C13 H11 Br2 N O4 -","- C13 H11 Br2 N O4 -","- C52 H44 Br8 N4 O16 -","4","1","TA1163","Warrener, Ronald N.; Maksimovic, L.; Kennard, Colin H. L.","(1α,2β,3α,6α,7β,8α,9β,13β)-9,13-Dibromo-11-methyl-14,15-dioxa-11-azapentacyclo[6.5.1.1^3,6^.0^2,7^.0^9,13^]pentadec-4-ene-10,12-dione","Acta Crystallographica Section C","1997","53","10","1501","1502","10.1107/S0108270197006616","","","0.71073","MoKα","","0.116","0.047","","0.139","0.11","","","","1.025","1.098","1.098","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006658","5.339","0.001","9.923","0.001","4.488","0.001","90","","97.45","0.02","90","","235.76","0.07","293","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Diphosphate synthétique de Cobalt: Co~2~P~2~O~7~","","- Co2 O7 P2 -","- Co2 O7 P2 -","- Co4 O14 P4 -","2","0.5","DU1177","Kobashi, Dilshat; Kohara, Shizuo; Yamakawa, Junji; Kawahara, Akira","Structure d'un Diphosphate Synthétique de Cobalt: Co~2~P~2~O~7~","Acta Crystallographica Section C","1997","53","11","1523","1525","10.1107/S0108270197006689","","","0.71069","MoKα","","","0.04","","","","0.052","","","","1.31","1.31","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006668","16.921","0.002","4.5252","0.0004","17.898","0.002","90","","112.655","0.011","90","","1264.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","perilo(1,12-b,c,d)thiophene","","- C20 H10 S -","- C20 H10 S -","- C80 H40 S4 -","4","1","FG1306","Santos, Isabel C.; Almeida, Manuel; Morgado, Jorge; Duarte, M. Teresa; Alcácer, Luís","Perylo[1,12-<i>b</i>,<i>c</i>,<i>d</i>]thiophene","Acta Crystallographica Section C","1997","53","11","1640","1642","10.1107/S0108270197007907","","","0.71069","MoKα","","0.0873","0.04","","0.124","0.0901","","","","1.129","1.037","1.037","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006743","14.762","0.003","5.832","0.002","4.039","0.002","90","","112.78","0.02","90","","320.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","p-dichlorobenzene","","- C6 H4 Cl2 -","- C6 H4 Cl2 -","- C12 H8 Cl4 -","2","0.5","AB1477","Estop, Eugènia; Alvarez-Larena, Angel; Belaaraj, Abdesselam; Solans, Xavier; Labrador, Manuel","α-Phase <i>p</i>-Dichlorobenzene at 293K","Acta Crystallographica Section C","1997","53","12","1932","1935","10.1107/S0108270197007737","","","0.71069","MoKα","","0.0498","0.0495","","0.1361","0.1355","","","","1.069","1.068","1.068","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006758","7.027","0.004","12.436","0.003","14.39","0.004","90","","93.95","0.04","90","","1254.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,4-Dinitro-N,N-methylphenylamine","","- C13 H11 N3 O4 -","- C13 H11 N3 O4 -","- C52 H44 N12 O16 -","4","1","BM1140","Ellena, Javier; Punte, Graciela; Norma S. Nudelman","2,4-Dinitro-<i>N</i>,<i>N</i>-methylphenylaniline","Acta Crystallographica Section C","1997","53","12","1930","1932","10.1107/S0108270197007403","","","0.71073","MoKα","","0.1037","0.0449","","0.1574","0.107","","","","1.102","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006880","9.6988","0.0011","9.3056","0.0015","14.543","0.002","90","","93.311","0.012","90","","1310.4","0.3","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(4-Nitrophenyl)ferrocene","","- C16 H13 Fe N O2 -","- C16 H13 Fe N O2 -","- C64 H52 Fe4 N4 O8 -","4","1","SK1150","Gallagher, John F.; Ferguson, George; Ahmed, S. Zaka; Glidewell, Christopher; Lewis, Arwel","Accurate Redeterminations of 1,1'-Dibenzoylferrocene and (4-Nitrophenyl)ferrocene","Acta Crystallographica Section C","1997","53","12","1772","1775","10.1107/S0108270197012602","","","0.7107","MolybdenumKα","","0.0841","0.0403","","","","0.1015","","","","","","1","","","","has coordinates","192289","2020-10-21","18:00:00",""
"2006914","9.506","0.001","17.643","0.002","11.96","0.001","90","","91.65","0.01","90","","2005","0.4","294","","294","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H18 Br N O S -","- C22 H18 Br N O S -","- C88 H72 Br4 N4 O4 S4 -","4","1","FG1342","Fu, Tai Y.; Scheffer, John R.; Trotter, James","Photocleavage Reactions of Monothioimides","Acta Crystallographica Section C","1998","54","1","103","107","10.1107/S0108270197011645","","","1.5418","CuKα","","","0.0439","","","","0.1298","","","","","","3.63","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006941","8.994","0.003","16.534","0.004","9.428","0.002","90","","118.11","0.03","90","","1236.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(Z)-3(H)-piperidinomethin-1,4-benzodioxin-2-one","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","LN1023","Bozzo, Concepción; Pujol, Maria D.; Solans, Xavier; Font-Bardia, Mercè","3-[(<i>Z</i>)-Piperidin-1-ylmethylidene]-2,3-dihydro-1,4-benzodioxan-2-one","Acta Crystallographica Section C","1998","54","1","79","81","10.1107/S0108270197012365","","","0.71069","MoKα","","0.104","0.066","","0.312","0.197","","","","0.985","1.071","1.071","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006950","8.142","0.001","13.393","0.001","14.822","0.001","90","","100.88","0.07","90","","1587.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Trimethyl isocyanurate","1,3,5-Trimethyl-1,3,5-triazine(1H,3H,5H)-2,4,6-trione","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C48 H72 N24 O24 -","8","2","OA1038","Thalladi, Venkat R.; Katz, Amy K.; Carrell, H. L.; Nangia, Ashwini; Desiraju, Gautam R.","Trimethyl Isocyanurate and Triethyl Isocyanurate","Acta Crystallographica Section C","1998","54","1","86","89","10.1107/S010827019701384X","","","0.71073","MoKα","","0.074","0.053","","0.163","0.152","","","","1.088","1.211","1.211","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007002","13.459","0.004","9.2087","0.0015","15.883","0.005","90","","98.87","0.04","90","","1945","0.9","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","(pyrazolo[3,4-d]pyrimidin-1-yl)alkane","1,3-bis(5-methyl-6-methylthio-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propane","","- C17 H20 N8 O2 S2 -","- C17 H20 N8 O2 S2 -","- C68 H80 N32 O8 S8 -","4","1","CF1197","Maulik, Prakas R.; Avasthi, Kamlakar; Biswas, Goutam; Biswas, Sampa; Rawat, Diwan S.; Sarkhel, Sanjay; Chandra, Tilak; Bhakuni, D. S.","A Stacked Pyrazolo[3,4-<i>d</i>]pyrimidine-Based Flexible Molecule","Acta Crystallographica Section C","1998","54","2","275","277","10.1107/S0108270197013309","","","0.71073","MoKα","","0.0851","0.0404","","0.1213","0.0993","","","","0.956","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007042","16.546","0.003","8.97","0.002","11.507","0.002","90","","98.9","0.02","90","","1687.3","0.6","298","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","[2-Benzylbis(salicylideneiminato)-N,N',O,O']copper(II)","","- C21 H16 Cu N2 O2 -","- C21 H16 Cu N2 O2 -","- C84 H64 Cu4 N8 O8 -","4","1","TA1184","Kani, Yoshiyuki; Ohba, Shigeru; Ishikawa, Takashi; Sakamoto, Masatomi; Nishida, Yuzo","{2-[2-(Salicylideneaminomethyl)phenylimino-methyl]phenolato(2‒)-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}copper(II)","Acta Crystallographica Section C","1998","54","2","191","193","10.1107/S0108270197013619","","","0.71073","MoKα","","","0.042","","","0.038","","","","","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007080","12.346","0.003","5.244","0.003","14.362","0.002","90","","94.77","0.02","90","","926.6","0.6","296","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","FR1089","Okabe, Nobuo; Adachi, Yukari","1<i>H</i>-Indole-3-propionic Acid","Acta Crystallographica Section C","1998","54","3","386","387","10.1107/S010827019701593X","","","0.71069","MoKα","","","0.042","","","0.045","","","","","1.63","1.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007163","11.617","0.002","6.643","0.006","20.868","0.002","90","","103.27","0.01","90","","1567.4","1.5","294","","294","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","FG1351","Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie","Structure and Photochemistry of Four Adamantylacetophenones","Acta Crystallographica Section C","1998","54","4","491","496","10.1107/S0108270197015862","","","1.5418","CuKα","","","0.057","","","","0.171","","","","","","1.673","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007181","8.546","0.001","17.865","0.002","15.044","0.002","90","","98.14","0.02","90","","2273.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C23 H23 N O8 S -","- C23 H23 N O8 S -","- C92 H92 N4 O32 S4 -","4","1","LN1030","Pèpe, Gérard; Jean-Claude Wallet; Amar Habsaoui; Emile M. Gaydou","<i>p</i>-Toluidinium 2'-Hydroxy-3'-methoxy-5'-flavonesulfonate Hydrate","Acta Crystallographica Section C","1998","54","4","525","527","10.1107/S0108270197015631","","","0.71073","MoKα","","0.0451","0.043","","0.088","0.0876","","","","1.003","1.194","1.194","","","","","has coordinates","281832","2023-03-13","07:44:32",""
"2007386","11.922","0.001","18.963","0.002","12.826","0.001","90","","90.83","0.01","90","","2899.4","0.5","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","8-Chloro-5-(4-chlorophenyl)-5H-indeno[1,2d]pyrimidine","","- C17 H10 Cl2 N2 -","- C17 H10 Cl2 N2 -","- C136 H80 Cl16 N16 -","8","2","SX1053","Caruso, Francesco; Rossi, Miriam","8-Chloro-5-(4-chlorophenyl)-5<i>H</i>-indeno-[1,2-<i>d</i>]pyrimidine","Acta Crystallographica Section C","1998","54","6","842","844","10.1107/S0108270198000572","","","1.54178","CuKα","","0.044","0.044","","0.056","0.056","","","","0.986","0.986","0.986","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2007421","12.704","0.002","15.788","0.004","16.676","0.002","90","","107.7","0.01","90","","3186.4","1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C152 H144 N16 O8 -","8","2","DE1064","R.V. Krishnakumar; S. Natarajan; V. Vijayabaskar; S. Perumal","Racemic 1-Acetyl-5-phenyl-3-styryl-2-pyrazoline","Acta Crystallographica Section C","1998","54","7","976","978","10.1107/S0108270198000146","","","0.71073","MoKα","","0.118","0.07","","0.148","0.135","","","","1.284","1.547","1.547","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007464","23.63","0.006","10.985","0.001","9.779","0.003","90","","91.06","0.01","90","","2538","1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Co(DH)~2~(4-^t^Bu-Py)(PhS)","Bis(dimethylglyoximato)(benzenethiolato)(4-tert- butylpyridine)Cobalt(III)","","- C23 H32 Co N5 O4 S -","- C23 H32 Co N5 O4 S -","- C92 H128 Co4 N20 O16 S4 -","4","1","OA1029","Inouye, Yoshinobu; Kambe, Tohru; Tada, Masaru","(Benzenethiolato-<i>S</i>)(4-<i>tert</i>-butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')cobalt(III) and (4-<i>tert</i>-Butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(4-methoxybenzenethiolato-<i>S</i>)cobalt(III)","Acta Crystallographica Section C","1998","54","7","945","947","10.1107/S0108270198001693","","","0.71073","MoKα","","0.054","0.034","","0.09","0.084","","","","1.076","1.1","1.1","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007466","13.367","0.003","10.019","0.002","15.554","0.002","90","","109.56","0.01","90","","1962.8","0.7","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","2,2-diphenyl-1,3,6,9,12-pentaoxacyclotetradecane","","- C21 H26 O5 -","- C21 H26 O5 -","- C84 H104 O20 -","4","1","OA1043","Hatsue Tamura; Shinya Ueno; Kazuhide Ogawa; Toshikazu Nagai; Takumi Oshima","Benzophenone Crown Ether Acetals with 14- and 17-Membered Rings","Acta Crystallographica Section C","1998","54","7","1049","1052","10.1107/S010827019800170X","","","0.7107","MoKα","","","0.05","","","0.057","","","","","1.71","1.71","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007513","11.715","0.002","11.385","0.005","16.071","0.003","90","","104.57","0.01","90","","2074.5","1.1","298.2","","298.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Carbonyl(1,3-diphenyl-1,3-propanedionato-κO,κO)(4-methyl-2,6,7-trioxa-1- phosphabicyclo[2.2.2]octane)rhodium(I)","","- C21 H20 O6 P Rh -","- C21 H20 O6 P Rh -","- C84 H80 O24 P4 Rh4 -","4","1","FG1391","Erasmus, Johannes J. C.; Lamprecht, Gert J.; Kohzuma, Takamitsu; Nakano, Yoshiharu","Carbonyl(1,3-diphenyl-1,3-propanedionato-<i>O</i>,<i>O</i>')(4-methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-<i>P</i>)rhodium(I)","Acta Crystallographica Section C","1998","54","8","1085","1087","10.1107/S0108270198002388","","","0.7107","MoKα","","0.069","0.052","","","","0.187","","","","","","1.175","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2007572","13.323","0.002","7.8005","0.0009","15.324","0.002","90","","110.499","0.008","90","","1491.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","pptphe","N-tert-butyloxycarbonyl-N-benzylglycine","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C56 H76 N4 O16 -","4","1","SX1067","Doi, Mitsunobu; Kinoshita, Kazue; Asano, Akiko; Yoneda, Ryuji; Kurihara, Takushi; Ishida, Toshimasa","<i>N</i>-Benzyl-<i>N</i>-(<i>tert</i>-butyloxycarbonyl)glycine, an <i>N</i>-Substituted Glycine (Peptoid) Monomer","Acta Crystallographica Section C","1998","54","8","1164","1165","10.1107/S0108270198002741","","","1.5418","CuKα","","0.095","0.068","","0.288","0.183","","","","1.167","1.176","1.176","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007598","14.685","0.002","8.679","0.003","17.769","0.003","90","","111.75","0.01","90","","2103.5","0.9","289.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H24 B2 F4 N2 O2 -","- C22 H24 B2 F4 N2 O2 -","- C88 H96 B8 F16 N8 O8 -","4","1","DE1049","Itoh, Kuniaki; Fujimoto, Miki; Hashimoto, Masao","1-Difluoroboronyloxy-3-(<i>N</i>-methylimino)-1-phenyl-1-butene and its Two Photoproducts","Acta Crystallographica Section C","1998","54","9","1324","1327","10.1107/S0108270197004332","","","0.7107","MoKα","","","0.0848","","","0.0518","","","","","1.341","1.341","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2007604","15.8782","0.0011","5.784","0.0009","17.1481","0.0009","90","","107.535","0.004","90","","1501.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","S-(ethenyl)-S-phenyl-N-(p-tolylsulfonyl)sulfoximine","","- C15 H15 N O3 S2 -","- C15 H15 N O3 S2 -","- C60 H60 N4 O12 S8 -","4","1","FG1428","Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.","Conformational Variations in Vinylsulfoximines","Acta Crystallographica Section C","1998","54","9","1335","1341","10.1107/S0108270198004508","","","0.71069","MoKα","","0.04","0.03","","","","0.081","","","","","","1.081","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2007659","10.892","0.006","15.82","0.01","8.223","0.003","90","","98.55","0.04","90","","1401.2","1.3","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-15(1),17-diene-16,19-dione","","- C14 H18 O7 -","- C14 H18 O7 -","- C56 H72 O28 -","4","1","OA1046","Akihiko Tsuda; Tatsuya Kawamoto; Takumi Oshima","2,3-Benzoquino[15]crown-5","Acta Crystallographica Section C","1998","54","9","1362","1364","10.1107/S010827019800287X","","","0.71073","MoKα","","","0.061","","","0.063","","","","","1.316","1.316","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007742","7.846","0.002","19.956","0.004","9.751","0.001","90","","94.6","0.01","90","","1521.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","6,7-dihydroxy-1-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride","6,7-dihydroxy-1-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolinium chloride","","- C16 H18 Cl N O3 -","- C16 H18 Cl N O3 -","- C64 H72 Cl4 N4 O12 -","4","1","NA1324","Olszak, Tomasz A.","X-ray Structure Investigations of Potential β-Blockers. III","Acta Crystallographica Section C","1998","54","10","1456","1459","10.1107/S0108270198005459","","","1.54178","CuKα","","0.076","0.033","","","","0.062","","","","","","0.751","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007745","11.301","0.002","8.665","0.001","13.422","0.001","90","","107.77","0.01","90","","1251.6","0.3","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C60 H52 N12 O4 -","4","1","NA1359","Kendi, Engin; Özbey, Süheyla; Karakurt, Arzu; Dalkara, Sevim","2-(Imidazol-1-yl)-1-(2-naphthyl)ethanone Oxime","Acta Crystallographica Section C","1998","54","10","1513","1515","10.1107/S0108270198005071","","","0.71069","MoKα","","","0.0452","","","0.0529","","","","","1.08","1.08","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007766","8.1259","0.0006","32.017","0.002","13.011","0.001","90","","103.065","0.007","90","","3297.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Bis(aquatriphenyltin) succinate^.^2[2,4,6-tris(2-pyridyl)-1,3,5-triazine]","","- C76 H62 N12 O6 Sn2 -","- C76 H62 N12 O6 Sn2 -","- C152 H124 N24 O12 Sn4 -","2","0.5","SK1192","Ng, Seik Weng","Outer-Sphere Coordination of a Multidentate <i>N</i>-Heterocycle to Tin Through Water: Monoclinic and Triclinic Modifications of μ-Succinato-bis(aquatriphenyltin)‒2,4,6-Tris(2-pyridyl)-1,3,5-triazine (1/2)","Acta Crystallographica Section C","1998","54","10","1386","1389","10.1107/S0108270198004776","","","0.71073","MoKα","","0.073","0.0397","","","","0.0848","","","","","","0.99","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007768","8.9189","0.0011","18.2124","0.0014","16.813","0.002","90","","103.134","0.011","90","","2659.6","0.5","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","1,4-Dimethylpyridinium [1,3-dithiole-2-thione-4,5-dithiolato)diphenyl(thiocyanato-N)stannate(1-)]","","- C23 H20 N2 S6 Sn -","- C23 H20 N2 S6 Sn -","- C92 H80 N8 S24 Sn4 -","4","1","SK1198","Khan, Abdullah; Low, John N.; Wardell, James L.; Ferguson, George","1,4-Dimethylpyridinium (1,3-dithiole-2-thione-4,5-dithiolato)(isothiocyanato)diphenylstannate(1‒)","Acta Crystallographica Section C","1998","54","10","1399","1401","10.1107/S0108270198005496","","","0.7107","MoKα","","0.07","0.038","","","","0.096","","","","","","1.004","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007827","13.385","0.004","5.215","0.001","22.159","0.004","90","","107.29","0.04","90","","1476.9","0.7","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","L'Anhydride Cis-1,2,3,6-Tétrahydrophtalique","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","2","GS1003","Ben Fredj, Arij; Ben Redjeb, Sadok; Ben Amor, Fatma; Driss, Ahmed","L'Anhydride <i>cis</i>-1,2,3,6-Tétrahydrophtalique","Acta Crystallographica Section C","1998","54","11","1710","1712","10.1107/S0108270198006957","","","0.71069","MoKα","","0.091","0.045","","0.114","0.099","","","","1.082","1.252","1.252","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007978","8.041","0.002","15.768","0.003","14.549","0.002","90","","91.73","0.02","90","","1843.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","dichlorobis(5-phenylpyrazole)copper(II)","","- C18 H16 Cl2 Cu N4 -","- C18 H16 Cl2 Cu N4 -","- C72 H64 Cl8 Cu4 N16 -","4","1","NA1369","Małecka, Magdalena; Grabowski, Mieczysław J.; Olszak, Tomasz A.; Kostka, K.; Strawiak, M.","Investigations of Complexes of Copper(II) Chloride with Phenylpyrazoles","Acta Crystallographica Section C","1998","54","12","1770","1773","10.1107/S0108270198008786","","","1.5418","CuKα","","0.086","0.045","","","","0.11","","","","","","0.824","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008005","14.645","0.001","11.634","0.001","17.832","0.003","90","","110.1","0.02","90","","2853.2","0.7","190","2","190","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","3-Hydroxy-2-ethyl-1-4trifluoromethylbenzyl-pyridin-4-one","","- C15 H15 F3 N O2.5 -","- C15 H15 F3 N O2.5 -","- C120 H120 F24 N8 O20 -","8","2","OS1028","Burgess, John; Fawcett, John; Russell, David R.; Waltham, Emma","Four <i>N</i>-Benzyl-Substituted 2-Ethyl-3-hydroxypyridin-4-ones","Acta Crystallographica Section C","1998","54","12","2011","2015","10.1107/S0108270198008488","","","0.71073","MoKα","","0.128","0.067","","0.165","0.133","","","","1.023","1.096","1.096","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008059","11.129","0.001","8.247","0.001","5.5395","0.0003","90","","100.88","0.01","90","","499.28","0.08","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Bloedite","","","- H8 Mg Na2 O12 S2 -","- H8 Mg Na2 O12 S2 -","- H16 Mg2 Na4 O24 S4 -","2","0.5","BR1219","Vizcayno, Carmen; Garcia-Gonzalez, M. Teresa","Na~2~Mg(SO~4~)~2~.4H~2~O, the Mg end-member of the bloedite-type of mineral","Acta Crystallographica Section C","1999","55","1","8","11","10.1107/S0108270198011135","","","0.7107","MoKα","","0.0294","0.0289","","0.079","0.078","","","","1.207","1.201","1.201","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008098","15.146","0.006","10.936","0.004","4.328","0.001","90","","97.5","0.02","90","","710.7","0.4","296","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C7 H6 N4 -","- C7 H6 N4 -","- C28 H24 N16 -","4","1","OA1063","Takehiro Matsunaga; Yoshio Ohno; Yoshiaki Akutsu; Mitsuru Arai; Masamitsu Tamura; Mitsuaki Iida","1-Phenyltetrazole","Acta Crystallographica Section C","1999","55","1","129","131","10.1107/S0108270198009718","","","0.71073","MoKα","","","0.053","","","","0.041","","","","","","1.406","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008099","19.87","0.007","4.731","0.007","14.813","0.007","90","","121.98","0.04","90","","1181","2","296.2","","296.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","β phthalocyanine","","- C32 H18 N8 -","- C32 H18 N8 -","- C64 H36 N16 -","2","0.5","OA1066","Shinya Matsumoto; Keiji Matsuhama; Jin Mizuguchi","β Metal-free phthalocyanine","Acta Crystallographica Section C","1999","55","1","131","133","10.1107/S0108270198011020","","","0.7107","MoKα","","0.1018","0.0552","","0.0688","0.0592","","","","1.124","1.182","1.182","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008141","8.038","0.002","20.482","0.004","13.677","0.003","90","","91.76","0.02","90","","2250.6","0.9","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H18 Cr O4 -","- C28 H18 Cr O4 -","- C112 H72 Cr4 O16 -","4","1","DA1035","Hannesschlager, Patrick; Brun, Pierre; Pèpe, Gérard","Tricarbonyl[(6a,7,8,9,10,10a-η)-3,3-diphenyl-3<i>H</i>-benzo[<i>f</i>]chromene]chromium","Acta Crystallographica Section C","1999","55","2","200","202","10.1107/S0108270198012104","","","0.71073","MoKα","","0.0441","0.0397","","0.0789","0.0773","","","","0.808","0.987","0.987","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008274","8.001","0.001","15.639","0.001","16.405","0.001","90","","94.15","0.01","90","","2047.3","0.3","298","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C88 H104 N8 O12 -","4","1","KA1300","Hökelek, Tuncer; Kılıç, Zeynel; Bi̇lge, Selen","5,6,7,8,9,10,11,12,18,19,21,22-Dodecahydro-8,9:18,19-dibenzo-1,4,7-trioxa-11,16-diazacyclononadeca-10,16-diene","Acta Crystallographica Section C","1999","55","3","381","383","10.1107/S0108270198013687","","","0.71073","MoKα","","","0.064","","","0.06","","","","","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008337","15.64","0.004","22.765","0.006","5.681","0.001","90","","92.663","0.005","90","","2020.5","0.8","295","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N,N-Bis(p-nitrophenylsulfonyl)cyclohexylamine","","- C18 H19 N3 O8 S2 -","- C18 H19 N3 O8 S2 -","- C72 H76 N12 O32 S8 -","4","1","DA1049","Brunzelle, Joseph S.; Curtis-Palmer, Veronica A.; Pavkovic, Stephen F.","<i>N</i>,<i>N</i>-Bis(<i>p</i>-nitrophenylsulfonyl)cyclohexylamine","Acta Crystallographica Section C","1999","55","4","624","626","10.1107/S0108270198017612","","","0.7107","MoKα","","0.0639","0.039","","0.1043","0.0969","","","","1.004","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008342","18.178","0.003","9.233","0.004","30.904","0.007","90","","101.3","0.01","90","","5086","3","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","Chloro(diethyl dithiophosphato-S,S')(triphenylphosphine-P)palladium(II)","","- C22 H25 Cl O2 P2 Pd S2 -","- C22 H25 Cl O2 P2 Pd S2 -","- C176 H200 Cl8 O16 P16 Pd8 S16 -","8","2","DE1097","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Narayan, Sanjay; Jain, Vimal K.","Chloro(diethyl dithiophosphato-<i>S</i>,<i>S</i>')(triphenylphosphine-<i>P</i>)palladium(II)","Acta Crystallographica Section C","1999","55","4","541","543","10.1107/S0108270198014905","","","0.71073","MoKα","","0.081","0.053","","0.217","0.159","","","","1.07","0.902","0.902","","","","","has coordinates","198633","2020-10-21","18:00:00",""
"2008415","7.361","0.003","16.269","0.004","9.622","0.003","90","","97.6","0.03","90","","1142.2","0.7","299","","299","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","N,N'-bis(2-hydroxybenzyl)-1,2-diphenylethylenediamine","","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C56 H56 N4 O4 -","2","0.5","QB0084","Hoshina, Gakuse; Ohba, Shigeru; Tsuchimoto, Masanobu","(<i>RS</i>,<i>SR</i>)-<i>N</i>,<i>N</i>'-Bis(2-hydroxybenzyl)-1,2-diphenylethylenediamine","Acta Crystallographica Section C","1999","55","4","IUC9900030","","10.1107/S0108270199099552","","","0.71073","MoKα","","0.125","0.066","","","","0.201","","","","","","1.048","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008504","11.337","0.002","9.96","0.002","11.423","0.002","90","","117.15","0.01","90","","1147.7","0.4","297","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","4,4-Dimethyltricyclo[6.3.0.0^1,7^]undecane-2,6-dione","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","QB0094","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","<i>cis</i>-4,4-Dimethyltricyclo[6.3.0.0^1,7^]undecane-2,6-dione","Acta Crystallographica Section C","1999","55","5","IUC9900039","","10.1107/S0108270199099412","","","0.71073","MoKα","","","0.065","","","","0.076","","","","","","1.09","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008555","10.431","0.002","17.795","0.003","10.685","0.002","90","","114.4","0.01","90","","1806.2","0.6","299","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetrakis(μ-1-methylpyrrole-2-carboxylato-O,O')-dipyridinecopper(II)","","- C36 H38 Cu2 N6 O8 -","- C36 H38 Cu2 N6 O8 -","- C72 H76 Cu4 N12 O16 -","2","0.5","DA1057","Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Hideaki, Matsushima; Tokii, Tadashi","A monomeric and a dimeric copper(II) trigonelline adduct with chloride, and a dimeric copper(II) 1-methyl-2-pyrrolecarboxylate adduct with 3-methylpyridine","Acta Crystallographica Section C","1999","55","6","882","886","10.1107/S0108270199001985","","","0.71073","MoKα","","","0.052","","","0.043","","","","","1.26","1.26","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008773","12.248","0.002","14.377","0.001","19.15","0.002","90","","103.547","0.011","90","","3278.3","0.7","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Hydroxotriphenyltin 2,6-di(2-benzimidazolyl)pyridine hydrate (1:1:1)","","- C37 H31 N5 O2 Sn -","- C37 H31 N5 O2 Sn -","- C148 H124 N20 O8 Sn4 -","4","1","FG1540","Lo, Kong Mun; Kumar Das, V.G.; Ng, Seik Weng","Hydroxotriphenyltin 2,6-bis(1<i>H</i>-benzimidazol-2-yl)pyridine hydrate","Acta Crystallographica Section C","1999","55","8","1234","1236","10.1107/S0108270199004072","","","0.71073","MoKα","","0.088","0.052","","","","0.127","","","","","","0.959","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008893","10.574","0.003","16.812","0.002","12.882","0.002","90","","102.15","0.02","90","","2238.7","0.8","170","1","170","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Tri-n-Butyltin N-maleoyl-β-alaninate","Tri-n-butyltin N-maleoyl-β-alaninate","","- C19 H33 N O4 Sn -","- C19 H33 N O4 Sn -","- C76 H132 N4 O16 Sn4 -","4","1","FG1551","Parvez, Masood; Ali, Saqib; Bhatti, Moazzam Hussain; Khokhar, Muhammad Nawaz; Mazhar, Muhammad; Qureshi, Sajid Iqbal","Tri-<i>n</i>-butyl(<i>N</i>-maleoyl-β-alaninato)tin","Acta Crystallographica Section C","1999","55","9","1427","1429","10.1107/S010827019900743X","","","0.71069","MoKα","","0.107","0.039","","","","0.141","","","","","","1.02","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009004","21.148","0.002","5.16","0.002","4.94","0.001","90","","96.69","0.01","90","","535.4","0.2","298.2","","298.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","1,10-decanediol","","","- C10 H22 O2 -","- C10 H22 O2 -","- C20 H44 O4 -","2","0.5","CF1316","Nakamura, Naotake; Sato, Taketoshi","1,10-Decanediol","Acta Crystallographica Section C","1999","55","10","1685","1687","10.1107/S0108270199008318","","","1.5418","CuKα","","0.0607","0.0391","","0.0731","","0.0626","","","1.359","","","1.399","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009031","11.848","0.002","7.9903","0.0015","18.29","0.007","90","","95.59","0.03","90","","1723.3","0.8","293","3","293","3","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","[Benzoylacetone S-methylisothiosemicarbazonato(2-)]pyridinenickel(II)","","- C17 H18 N4 Ni O S -","- C17 H18 N4 Ni O S -","- C68 H72 N16 Ni4 O4 S4 -","4","1","NA1411","Bogdanović, Goran A.; Spasojević-de Biré, Anne; Leovac, Vukadin M.; Češljević, Valerija I.","Transition metal complexes with thiosemicarbazide-based ligands. XXXIX. [Benzoylacetone 3-methylisothiosemicarbazonato(2 ‒)-<i>O</i>,<i>N</i>^1^,<i>N</i>^4^](pyridine-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1999","55","10","1656","1658","10.1107/S0108270199004746","","","0.71073","MoKα","","0.077","0.033","","0.101","","0.09","","","1.021","","","1.194","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009048","9.152","0.001","20.886","0.001","9.555","0.001","90","","97.57","0.01","90","","1810.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H28 N2 O7 Pt -","- C14 H28 N2 O7 Pt -","- C56 H112 N8 O28 Pt4 -","4","1","OB1013","Yuge, Hidetaka; Miyamoto, Takeshi Ken","Bis(cyclohexane-1,3-dionato)-<i>C</i>^2^,<i>O</i>^1^-(ethylenediamine-<i>N</i>,<i>N</i>')platinum(II) trihydrate and bis(cyclohexane-1,3-dionato)-<i>C</i>^2^,<i>O</i>^1^-(<i>N</i>,<i>N</i>-dimethylethylenediamine-<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section C","1999","55","10","1617","1620","10.1107/S0108270199008069","","","0.71069","MoKα","","0.041","0.025","","","","0.058","","","","","","1.037","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009064","8.1911","0.0003","9.0791","0.0003","19.2164","0.0008","90","","97.7742","0.0019","90","","1415.95","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","5-Methyl-3-(1-oxo-nonyl)-1,3,4-thiadiazole-2(3H)-2-thione","","- C12 H20 N2 O S2 -","- C12 H20 N2 O S2 -","- C48 H80 N8 O4 S8 -","4","1","QA0175","Low, John Nicolson; Cook, Andrew; Imrie, Corrie T.; Wardell, James L.","5-Methyl-3-nonanoyl-1,3,4-thiadiazole-2(3<i>H</i>)-thione and 3-decanoyl-5-methyl-1,3,4-thiadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","1999","55","10","IUC9900123","","10.1107/S0108270199098716","","","0.71073","MoKα","","0.0784","0.0434","","","","0.1256","","","","","","1.036","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009065","8.0494","0.0007","9.2472","0.0004","20.1232","0.0016","90","","94.709","0.003","90","","1492.8","0.19","150","0.1","150","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","5-Methyl-3-(1-oxo-decyl)-1,3,4-thiadiazole-2(3H)-2-thione","","- C13 H22 N2 O S2 -","- C13 H22 N2 O S2 -","- C52 H88 N8 O4 S8 -","4","1","QA0175","Low, John Nicolson; Cook, Andrew; Imrie, Corrie T.; Wardell, James L.","5-Methyl-3-nonanoyl-1,3,4-thiadiazole-2(3<i>H</i>)-thione and 3-decanoyl-5-methyl-1,3,4-thiadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","1999","55","10","IUC9900123","","10.1107/S0108270199098716","","","0.71073","MoKα","","0.1175","0.0572","","","","0.1058","","","","","","1.034","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009074","10.1911","0.0011","11.3039","0.0013","11.0983","0.0011","90","","115.83","0.002","90","","1150.8","0.2","295","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H12 Cl N O2 -","- C11 H12 Cl N O2 -","- C44 H48 Cl4 N4 O8 -","4","1","SK1291","Arici, Cengiz; Tahir, M. Nawaz; Ülkü, Dinçer; Atakol, Orhan","4-Chloro-2-(4-oxopent-2-en-2-ylamino)phenol","Acta Crystallographica Section C","1999","55","10","1691","1692","10.1107/S0108270199008501","","","0.71073","MoKα","","","0.036","","","","0.045","","","","","","0.96","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009104","8.045","0.002","18.037","0.002","10.056","0.001","90","","99.27","0.01","90","","1440.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetrakis(Cyclopropylammonium)Cyclotetraphosphate Tetrahydrate","","- C12 H40 N4 O16 P4 -","- C12 H40 N4 O16 P4 -","- C24 H80 N8 O32 P8 -","2","0.5","CF1294","Soumhi, El Hassane; Saadoune, Ismael; Driss, Ahmed; Jouini, Tahar","Tetrakis(cyclopropylammonium) cyclotetraphosphate tetrahydrate","Acta Crystallographica Section C","1999","55","11","1932","1934","10.1107/S010827019900877X","","","0.71069","MoKα","","0.0396","0.0335","","","","0.0906","","","","","","1.058","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009156","7.483","0.004","15.061","0.004","18.836","0.005","90","","99.7","0.04","90","","2092.5","1.4","295.2","","295.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H16 F12 N4 P2 Pt -","- C14 H16 F12 N4 P2 Pt -","- C56 H64 F48 N16 P8 Pt4 -","4","1","OA1091","Kato, Masako; Takahashi, Junko","Anion-controlled π-stacks of (ethylenediamine-<i>N</i>,<i>N</i>')(1,10-phenanthroline-<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section C","1999","55","11","1809","1812","10.1107/S0108270199008859","","","0.7107","MoKα","","0.061","0.046","","0.669","","0.127","","","5.962","","","1.306","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2009193","9.877","0.001","4.737","0.001","12.877","0.001","90","","112.044","0.002","90","","558.44","0.14","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","DL-cysteine","","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","SK1312","Luger, Peter; Weber, Manuela","<small>DL</small>-Cysteine at 298K","Acta Crystallographica Section C","1999","55","11","1882","1885","10.1107/S0108270199009208","","","0.71073","MoKα","","0.074","0.06","","","","0.202","","","","","","1.06","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009389","13.693","0.006","14.731","0.015","8.737","0.005","90","","106.51","0.05","90","","1690","2","299","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C15 H22 F N O4 S -","- C15 H22 F N O4 S -","- C60 H88 F4 N4 O16 S4 -","4","1","HL1027","Kim, M.-J.; Lee, Y.-B.; Kim, D.-W.; Lim, S.-S.; Lee, J.-H.; Ryu, B.-Y.; Suh, I.-H.","Structure of 2-(1-acetoxy-2-fluoropropyl)-<i>N</i>-<i>tert</i>-butylbenzenesulfonamide","Acta Crystallographica Section C","1994","50","1","103","106","10.1107/S0108270193005372","","","0.71069","MoKα","","","0.0598","","","0.067","","","","","3.5233","3.5233","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009392","9.892","0.002","9.846","0.001","14.169","0.002","90","","107.52","0.01","90","","1316","0.4","292","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C52 H64 N8 O12 -","4","1","LI1048","Zukerman-Schpector, J.; Pinto, A.Da C.; Silva, J.F.M.Da; Silva, R.B.Da","Structure of 2'-(<i>N</i>-isopropyloxamoyl)acetanilide, C~13~H~16~N~2~O~3~","Acta Crystallographica Section C","1994","50","1","87","88","10.1107/S0108270193004834","","","0.71073","MoKα","","","0.053","","","0.059","","","","","1.69","1.69","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009450","7.134","0.003","20.971","0.006","7.635","0.002","90","","122.28","0.01","90","","965.7","0.6","293","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","trans-dichlorobis(metronidazole)palladium(II)","","- C12 H18 Cl2 N6 O6 Pd -","- C12 H18 Cl2 N6 O6 Pd -","- C24 H36 Cl4 N12 O12 Pd2 -","2","0.5","GR1010","De Bondt, Hendrik L.; Blaton, N.M.; Peeters, O.M.; De Ranter, C.J.","<i>trans</i>-Dichlorobis(metronidazole)palladium(II), [PdCl~2~(C~6~H~9~N~3~O~3~)~2~]","Acta Crystallographica Section C","1994","50","2","180","181","10.1107/S0108270193006882","","","0.71073","MoKα","","","0.031","","","0.034","","","","","1.252","1.252","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009468","7.431","0.003","21.3","0.009","8.838","0.005","90","","90.42","0.04","90","","1398.8","1.1","295","2","295","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","calcium bis(phosphoglycolate) dihydrate","","- C4 H12 Ca O14 P2 -","- C4 H12 Ca O14 P2 -","- C16 H48 Ca4 O56 P8 -","4","1","MU1054","Lis, Tadeusz","Zinc(II) bis(phosphoglycolate) dihydrate and calcium bis(phosphoglycolate) dihydrate","Acta Crystallographica Section C","1994","50","2","181","185","10.1107/S0108270193007711","","","1.5418","CuKα","","","0.0418","","","0.0678","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009469","8.745","0.004","19.207","0.003","10.981","0.003","90","","92.23","0.03","90","","1843","1","133","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C19 H19 B F2 O6 -","- C19 H19 B F2 O6 -","- C76 H76 B4 F8 O24 -","4","1","MU1058","Stomberg, R.; Li, S.; Lundquist, K.","[2,3-Bis(3,4-dimethoxyphenyl)-3-oxopropanalato-<i>O</i>,<i>O</i>']difluoroboron(III)","Acta Crystallographica Section C","1994","50","2","214","217","10.1107/S0108270193007759","","","0.71069","MoKα","","","0.04","","","0.045","","","","","1.69","1.69","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009479","11.679","0.002","8.301","0.001","13.554","0.001","90","","91.97","0.02","90","","1313.2","0.3","292","","292","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-{[5-Phenyl-1,3,4(3H)-thiadiazin-2-yl]imino}-3-pyridinol","","- C14 H12 N4 O S -","- C14 H12 N4 O S -","- C56 H48 N16 O4 S4 -","4","1","NA1048","Josef Macíček; Olyana Angelova; Veneta Kalcheva; Madlena Tosheva","2-[(5-Phenyl-2,3-dihydro-6<i>H</i>-1,3,4-thiadiazin-2-ylidene)amino]-3-pyridinol","Acta Crystallographica Section C","1994","50","2","252","254","10.1107/S0108270193011916","","","0.71073","MoKα","","0.114","0.034","","0.059","0.03","","","","2.171","1.48","1.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009497","10.904","0.001","10.3686","0.0008","13.887","0.002","90","","102.132","0.007","90","","1535","0.3","251","","251","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1-(1,2,6,7,8,8a-hexahydro-3,6,6,8a-tetramethylacenaphthylen-4-yl)ethan-1-one","","- C18 H24 O -","- C18 H24 O -","- C72 H96 O4 -","4","1","SH1068","De Ridder, Dirk J.A.; Goubitz, Kees; Schenk, Henk","Crystal studies of musk compounds. V. Structure of 1-(1,2,6,7,8,8a-hexahydro-3,6,6,8a-tetramethylacenaphthylen-4-yl)ethan-1-one","Acta Crystallographica Section C","1994","50","2","265","267","10.1107/S0108270193006821","","","1.5418","CuKα","","0.057","0.057","","0.067","0.067","","","","0.14","0.14","0.14","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2009582","13.844","0.004","25.734","0.01","9.59","0.002","90","","107.58","0.02","90","","3257","1.8","293","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C36 H42 N2 O4 Yb -","- C36 H42 N2 O4 Yb -","- C144 H168 N8 O16 Yb4 -","4","1","AL1064","Abrahams, C.T.; Deacon, G.B.; Gatehouse, B.M.; Ward, G.N.","<i>cis</i>-Bis(9-carbazolyl)(1,2-dimethoxyethane)-<i>cis</i>-bis(tetrahydrofuran)ytterbium(II)","Acta Crystallographica Section C","1994","50","4","504","507","10.1107/S010827019300931X","","","0.7107","MoKᾱ","","","0.0775","","","0.0626","","","","","2.48","2.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009618","9.301","0.002","12.468","0.004","10.72","0.003","90","","99.48","0.02","90","","1226.2","0.6","293","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C18 H26 Cl2 Cu2 N4 O10 -","- C18 H26 Cl2 Cu2 N4 O10 -","- C36 H52 Cl4 Cu4 N8 O20 -","2","0.5","HE1005","Mukherjee, M.; Mukherjee, A. K.; Datta, S. J.; Nanda, K. K.; Helliwell, M.","A dinuclear copper(II) complex [Cu~2~<i>L</i>~2~](ClO~4~)~2~ derived from 2,6-bis(aminomethyl)-4-methylphenol (H<i>L</i>)","Acta Crystallographica Section C","1994","50","4","542","544","10.1107/S0108270193010121","","","1.5418","CuKα","","","0.046","","","0.052","","","","","1.01","1.01","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2009638","9.681","0.002","22.465","0.006","10.463","0.005","90","","113.9","0.2","90","","2080","3","293","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C21 H26 I N O3 -","- C21 H26 I N O3 -","- C84 H104 I4 N4 O12 -","4","1","NA1044","Sabatino, P.; Recanatini, M.; Tumiatti, V.; Melchiorre, C.","Structural studies on the antimuscarinic agents spiro-DAMP and hydroxy-DAMP, and comparison with related compounds","Acta Crystallographica Section C","1994","50","4","640","645","10.1107/S0108270193010017","","","0.71069","MoKα","","","0.043","","","0.046","","","","","1.5","1.5","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009693","16.197","0.006","9.141","0.002","19.54","0.001","90","","99.28","0.01","90","","2855.2","1.2","150","","150","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-Diethoxyphosphoryl-5,6-dihydro-1,3-dithiolo[4,5-b][1,4]dithiin","","- C9 H15 O3 P S4 -","- C9 H15 O3 P S4 -","- C72 H120 O24 P8 S32 -","8","2","HA1077","Kelkar, Shripad V.; Kilburn, Jeremy D.; Webster, Michael","Diethyl 5,6-dihydro-2<i>H</i>-1,3-dithiolo[4,5-<i>b</i>][1,4]dithiin-2-ylphosphonate, C~9~H~15~O~3~PS~4~","Acta Crystallographica Section C","1994","50","5","724","726","10.1107/S0108270193011941","","","0.71069","MoKα","","","0.0265","","","0.0367","","","","","0.31","0.31","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009725","8.246","0.006","11.016","0.003","14.74","0.004","90","","96.84","0.04","90","","1329.4","1.1","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","1","OH1051","Hirota, T.; Sasaki, K.; Yamamoto, H.; Mori, K.; Kashino, S.","Anomalous products formed from <i>N</i>-(5,6-dihydrobenzo[<i>h</i>]quinazolin-4-yl)amidines and hydroxylamine hydrochloride","Acta Crystallographica Section C","1994","50","5","807","810","10.1107/S0108270193010583","","","0.71073","MoKα","","","0.041","","","0.031","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009733","8.31","0.002","16.473","0.007","10.32","0.005","90","","113.6","0.03","90","","1294.6","0.9","293","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C11 H11 N O2 S3 -","- C11 H11 N O2 S3 -","- C44 H44 N4 O8 S12 -","4","1","SH1057","Krüger, P.; Kustos, M.; Steudel, R.","Methyl 3-(1,3-benzothiazol-2-yldithio)propanoate, C~11~H~11~NO~2~S~3~","Acta Crystallographica Section C","1994","50","5","767","769","10.1107/S0108270193008418","","","0.71069","MoKα","","","0.0422","","","0.0422","","","","","0.89","0.89","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009745","12.628","0.002","14.679","0.004","13.644","0.003","90","","102.25","0.02","90","","2471.6","1","183","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C13 H37 Li O2 Se Si4 -","- C13 H37 Li O2 Se Si4 -","- C52 H148 Li4 O8 Se4 Si16 -","4","1","ST1075","Flick, Karen E.; Bonasia, Philip J.; Gindelberger, David E.; Katari, Janet E. B.; Schwartz, David","Lithium tris(trimethylsilyl)silylselenolate mono(1,2-dimethoxyethane)","Acta Crystallographica Section C","1994","50","5","674","675","10.1107/S0108270193007206","","","0.71073","MoKα","","","0.028","","","0.03","","","","","1.129","1.129","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009753","13.5889","0.0017","13.752","0.003","9.7843","0.001","90","","101.785","0.01","90","","1789.9","0.5","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetracarbonyl[1-phenyl-N-(2-pyridylmethylidene)ethylamine-N,N']molybdenum(0)","","- C18 H14 Mo N2 O4 -","- C18 H14 Mo N2 O4 -","- C72 H56 Mo4 N8 O16 -","4","1","AB1177","Alyea, Elmer C.; Ferguson, George; Jain, Vimal K.","Tetracarbonyl[1-phenyl-<i>N</i>-(2-pyridylmethylidene)ethylamine-<i>N</i>,<i>N</i>']molybdenum(0)","Acta Crystallographica Section C","1994","50","6","854","857","10.1107/S0108270194003197","","","0.71069","MoKα","","0.025","0.025","","0.031","0.031","","","","","1","1","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009771","11.426","0.001","16.09","0.001","11.359","0.001","90","","118.37","0.01","90","","1837.5","0.3","296","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H21 N5 O3 S -","- C22 H17 N5 O3 S2 -","- C88 H68 N20 O12 S8 -","4","1","HA1059","Das, A. K.; Datta, M.; Mazumdar, S. K.; Bhaumik, G.; Mazumdar, B.; Talapatra, S. K.","2,3-Dihydro-6-hydroxy-1,3-dimethyl-7-propyl-9-(2-thienylmethyl)pyrimido[2,1-<i>f</i>]purine-4,8(1<i>H</i>,9<i>H</i>)-dione","Acta Crystallographica Section C","1994","50","6","952","954","10.1107/S0108270193011461","","","1.54178","CuKα","","","0.068","","","0.068","","","","","1.03","1.03","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009801","9.943","0.001","8.402","0.001","10.22","0.001","90","","101.18","0.01","90","","837.59","0.16","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Structure of 5-nitro-2-furaldehyde-semicarbazone","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C24 H24 N16 O16 -","4","1","NA1082","Olszak, Tomasz A.; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.","5-Nitro-2-furaldehyde semicarbazone","Acta Crystallographica Section C","1994","50","6","948","950","10.1107/S0108270194000119","","","0.71069","MoKα","","","0.0428","","","0.0765","","","","","0.939","0.939","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009877","16.045","0.007","11.868","0.004","9.828","0.005","90","","104.74","0.02","90","","1809.9","1.4","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Bis(2-acetylamino-1,3,5-thiadiazole-2-sulfon)amide Dihydrate","","- C8 H13 N7 O8 S4 -","- C8 H13 N7 O8 S4 -","- C32 H52 N28 O32 S16 -","4","1","KA1039","Vinković, Mladen; Mutak, Stjepan; Nagl, Ante; Kamenar, Boris","Bis(5-acetylamino-1,3,4-thiadiazole-2-sulfon)amide dihydrate","Acta Crystallographica Section C","1994","50","7","1099","1101","10.1107/S010827019300770X","","","0.7107","MoKα","","","0.043","","","0.065","","","","","0.796","0.796","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2009890","7.537","0.002","10.992","0.001","12.67","0.002","90","","100.59","0.01","90","","1031.8","0.3","300","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C7 H5 As3 Cr O2 -","- C7 H5 As3 Cr O2 -","- C28 H20 As12 Cr4 O8 -","4","1","OH1050","Chen, W.; Goh, L. Y.; Wong, R. C. S.","A <i>cyclo</i>-triarsenic complex of chromium","Acta Crystallographica Section C","1994","50","7","998","1000","10.1107/S0108270193010650","","","0.71073","MoKα","","","0.038","","","0.043","","","","","0.658","0.658","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009897","11.095","0.003","11.384","0.002","8.408","0.002","90","","102.91","0.02","90","","1035.1","0.4","295","","295","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","bis(4-nitropyridine N-oxide)cobalt nitrate tetrahydrate","","- C10 H16 Co N6 O16 -","- C10 H16 Co N6 O16 -","- C20 H32 Co2 N12 O32 -","2","0.5","PA1074","Bagieu-Beucher, Muriel; Le Fur, Yvette; Levy, Jean-Pierre; Pécaut, Jacques","Two 4-nitropyridine <i>N</i>-oxide adducts: (C~5~H~4~N~2~O~3~)~2~.AgNO~3~ and (C~5~H~4~N~2~O~3~)~2~.Co(NO~3~)~2~.4H~2~O","Acta Crystallographica Section C","1994","50","7","1079","1084","10.1107/S0108270193012119","","","0.5608","AgKα","","0.024","0.024","","0.027","0.027","","","","0.63","0.63","0.63","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2009912","12.536","0.001","12.867","0.002","17.759","0.002","90","","93.01","0.01","90","","2860.6","0.6","293","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C11 H20 Cl2 Pd Si -","- C17.5 H20 Cl4 Pd2 Si -","- C140 H160 Cl32 Pd16 Si8 -","8","2","AB1098","Begum, N. S.; Bandodakar, B. S.; Nagendrappa, G.","Dichloro(1-trimethylsilyl-1,5-cyclooctadiene)palladium(II)","Acta Crystallographica Section C","1994","50","8","1227","1231","10.1107/S0108270194000454","","","0.71079","MoKα","","","0.037","","","0.044","","","","","0.89","0.89","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009923","9.027","0.004","10.561","0.004","11.768","0.004","90","","98.81","0.03","90","","1108.7","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(E)-2-(1-Hydroxy-1-methyl-2-oxopropyl)-2-(methyl-thio)thiolane 1-oxide","","- C9 H16 O3 S2 -","- C9 H16 O3 S2 -","- C36 H64 O12 S8 -","4","1","AB1150","Brunck, Jörg-Stephan; Voss, Jürgen; Viebrock, Heiko; Olbrich, Falk","Configuration of (<i>E</i>)-2-(1-hydroxy-1-methyl-2-oxopropyl)-2-(methylthio)thiolane <i>S</i>-oxide","Acta Crystallographica Section C","1994","50","8","1370","1372","10.1107/S0108270194002799","","","0.71073","MoKα","","0.0642","0.0516","","0.1617","0.1418","","","","1.286","1.257","1.257","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009927","18.267","0.001","13.738","0.001","11.816","0.001","90","","102.139","0.005","90","","2898.9","0.4","296","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H24 Mo N2 O4 -","- C8 H24 Mo N2 O4 -","- C64 H192 Mo8 N16 O32 -","8","2","AL1071","Román, P.; José, A. S.; Luque, A.; Gutiérrez-Zorrilla, J. M.; Martínez-Ripoll, M.","Bis(<i>tert</i>-butylammonium) molybdate(VI)","Acta Crystallographica Section C","1994","50","8","1189","1191","10.1107/S0108270193014519","","","0.71069","MoKα","","","0.07","","","0.084","","","","","1.195","1.195","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009968","13.316","0.005","11.192","0.001","14.935","0.005","90","","100.39","0.02","90","","2189.3","1.1","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C9 H9 N5 O4 -","- C9 H9 N5 O4 -","- C72 H72 N40 O32 -","8","2","HL1044","Lynch, D. E.; Smith, G.; Byriel, K. A.; Kennard, C. H. L.","Molecular co-crystals of carboxylic acids. 16. 1:1 Adduct of 3-nitrobenzoic acid with 3-amino-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","1994","50","8","1291","1294","10.1107/S0108270193012260","","","0.71073","MoKα","","","0.036","","","0.04","","","","","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009996","12.171","0.002","11.36","0.002","16.118","0.004","90","","91.343","0.007","90","","2227.9","0.8","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C22 H22 Cl2 O6 -","- C22 H22 Cl2 O6 -","- C88 H88 Cl8 O24 -","4","1","SH1081","Berens, U.; Raabe, G.","2(<i>RS</i>)-<i>r</i>-2-[(<i>RS</i>)-1-(4-Chlorobenzoyloxy)ethyl]-2-ethyl-1,3-dioxolan-<i>c</i>-4-ylmethyl-4-chlorobenzoate","Acta Crystallographica Section C","1994","50","8","1271","1273","10.1107/S0108270193014131","","","0.71069","MoKα","","","0.05","","","0.04","","","","","2.627","2.627","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010043","10.011","0.005","13.163","0.005","28.896","0.008","90","","98.12","0.03","90","","3770","3","298","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C192 H136 N8 O16 -","8","2","KA1051","Anulewicz, R.; Pniewska, B.; Milart, P.","2,4,6-Triphenylcyanobenzene and 2,4,6-triphenylnitrobenzene","Acta Crystallographica Section C","1994","50","9","1516","1519","10.1107/S0108270193012661","","","0.71073","MoKα","","","0.0724","","","0.0566","","","","","2.53","2.53","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010056","15.556","0.003","7.682","0.002","12.384","0.002","90","","96.8","0.02","90","","1469.5","0.5","293","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C6 H24 Cl2 N4 O3 Zn -","- C6 H24 Cl2 N4 O3 Zn -","- C24 H96 Cl8 N16 O12 Zn4 -","4","1","NA1043","Marzotto, A.; Clemente, D.A.; Valle, G.","Racemic chloro[tris(2-aminoethyl)amine]zinc(II) chloride trihydrate, [ZnCl(C~6~H~18~N~4~)]Cl.3H~2~O","Acta Crystallographica Section C","1994","50","9","1451","1456","10.1107/S0108270193012739","","","0.71069","MoKα","","","0.04","","","0.044","","","","","0.697","0.697","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010068","11.128","0.005","7.926","0.003","14.735","0.008","90","","108.1","0.05","90","","1235.3","1","295","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C4 H13 Cl4 Cu N5 -","- C4 H13 Cl4 Cu N5 -","- C16 H52 Cl16 Cu4 N20 -","4","1","PA1093","Lemoine, P.; Tomas, A.; Viossat, B.; Nguyen-Huy, D.","Tétrachlorocuprate(II) de metformine","Acta Crystallographica Section C","1994","50","9","1437","1439","10.1107/S0108270194002982","","","0.7107","MoKα","","","0.049","","","0.046","","","","","1.78","1.78","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010076","7.89","0.02","16.824","0.008","9.5187","0.0014","90","0.007","110.168","0.013","90","0.009","1186","3","293","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N, N1-bis(methoxycarbonyl)-N2-phenylguanidine","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C44 H52 N12 O16 -","4","1","AB1163","Travlos, Spyros Don; White, Julian","1,2-Bis(methoxycarbonyl)-3-phenylguanidine","Acta Crystallographica Section C","1994","50","10","1631","1632","10.1107/S0108270194005007","","","0.71069","MoKα","","0.046","0.0453","","0.126","0.1248","","","","0.745","0.742","0.742","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010098","10.733","0.001","10.089","0.001","11.479","0.002","90","","91.09","0.01","90","","1242.8","0.3","293","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C7 H9 Cl2 Hg2 N O2 -","- C7 H9 Cl2 Hg2 N O2 -","- C28 H36 Cl8 Hg8 N4 O8 -","4","1","DU1077","Bonhomme, C.; Toledano, P.; Livage, J.","A new dimercurated derivative of acetylacetone, [Hg~2~(C~5~H~6~O~2~)Cl~2~].CH~3~CN","Acta Crystallographica Section C","1994","50","10","1590","1592","10.1107/S010827019400332X","","","0.71069","MoKᾱ","","","0.0279","","","0.0331","","","","","2.36","2.36","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010116","13.113","0.001","5.351","0.002","18.757","0.002","90","","109.54","0.01","90","","1240.3","0.5","298","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H26 Co N4 O16 -","- C18 H26 Co N4 O16 -","- C36 H52 Co2 N8 O32 -","2","0.5","MU1099","Saladini, Monica","<i>trans</i>-Tetraaquabis(<i>p</i>-nitrohippurato)cobalt(II) dihydrate","Acta Crystallographica Section C","1994","50","10","1561","1563","10.1107/S0108270194001769","","","0.71069","MoKα","","","0.04","","","0.041","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2010163","10.492","0.004","13.048","0.003","15.595","0.002","90","","99.54","0.03","90","","2105.4","1","289","","289","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-[2-(2'-hydroxy-1'-oxo-1',2',3',4'-tetrahydronaphthyl)ethyl]-1,2,3,4- tetrahydronaphthylone thiosemicarbazone","","- C23 H25 N3 O2 S -","- C23 H25 N3 O2 S -","- C92 H100 N12 O8 S4 -","4","1","CR1128","Yang, Jian; Pandeya, S.N.; Dimmock, Jonathan R.; Quail, J. Wilson","A novel bistetrahydronaphthyl thiosemicarbazone","Acta Crystallographica Section C","1994","50","11","1828","1830","10.1107/S0108270194006098","","","0.7093","MolybdenumKα","","0.074","0.049","","0.05","0.05","","","","","2.47","2.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010227","19.35","0.01","5.885","0.003","20.368","0.01","90","","111.9","0.04","90","","2152","2","100","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C20 H21 F9 N2 O2 -","- C20 H21 F9 N2 O2 -","- C80 H84 F36 N8 O8 -","4","1","SH1082","Büchel, R.; Aebi, R.; Keese, R.; Venugopalan, P.","<i>rel</i>-(2<i>R</i>,5<i>R</i>)-1-Benzoyl-2-<i>tert</i>-butyl-3-methyl-5-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)imidazolidin-4-one at 100 K","Acta Crystallographica Section C","1994","50","11","1803","1805","10.1107/S0108270194000132","","","0.71069","MoKα","","","0.052","","","0.065","","","","","1.826","1.826","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010262","7.2796","0.0007","15.755","0.002","9.834","0.001","90","","91.087","0.009","90","","1127.7","0.2","298","","23","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 F3 N O2 -","- C12 H10 F3 N O2 -","- C48 H40 F12 N4 O8 -","4","1","CD1035","Jasinski, Jerry P.; Paight, Ernest S.","7-Dimethylamino-4-trifluoromethylcoumarin, a new polymeric form","Acta Crystallographica Section C","1994","50","12","1928","1930","10.1107/S0108270194003616","","","0.7107","MoKα","","","0.0445","","","0.0654","","","","","2.888","2.888","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010424","9.685","0.003","7.128","0.002","13.572","0.004","90","","99.78","0.02","90","","923.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C7 H9 F3 N2 O2 -","- C7 H9 F3 N2 O2 -","- C28 H36 F12 N8 O8 -","4","1","","Tinant, Bernard; Declercq, Jean-Paul; Bouillon, Jean-Philippe","Oxime of 1-Methyl-3-trifluoroacetylpyrrolidin-2-one","Acta Crystallographica Section C","1995","51","","270","272","","","","","","","","0.073","","","0.23","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010475","8.693","0.003","26.794","0.007","12.534","0.005","90","","93.08","0.03","90","","2915.2","1.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H14 N6 O -","- C17 H14 N6 O -","- C136 H112 N48 O8 -","8","2","LI1112","Palmer, R. A.; Janes, R. W.; Corper, A. L.; Lisgarten, J. N.; Hansen, H. C.","The Novel GABA~A~ Receptor Ligand NNC 14-0764: 5-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydrodiimidazo[1,5-<i>a</i>:1',2'-<i>c</i>]quinazoline","Acta Crystallographica Section C","1995","51","2","318","322","10.1107/S0108270194004166","","","1.54178","CuKα","","0.0417","0.0365","","0.1053","0.1014","","","","3.951","1","1","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010486","12.162","0.001","10.647","0.001","7.985","0.001","90","","92.441","0.005","90","","1033.03","0.18","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C H13 B10 Cs -","- C H13 B10 Cs -","- C4 H52 B40 Cs4 -","4","1","NA1091","Whitaker, Claire R.; Romerosa, Antonio; Teixidor, Francesc; Rius, Jordi","Cs[CB~10~H~13~] at 293 K","Acta Crystallographica Section C","1995","51","2","188","190","10.1107/S0108270194008139","","","0.71073","MoKα","","","0.042","","","0.051","","","","","2.47","2.47","","","","","has coordinates","191060","2020-10-21","18:00:00",""
"2010549","10.04","0.002","18.468","0.001","11.649","0.001","90","","109.16","0.01","90","","2040.3","0.4","299","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C36 H58 Cu2 N2 O8 -","- C36 H58 Cu2 N2 O8 -","- C72 H116 Cu4 N4 O16 -","2","0.5","","Goto, Masato; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","Dimeric copper(II) 3,3-dimethylbutyrate adducts with ethanol, 2-methylpyridine, 3-methylpyridine, 4-methylpyridine and 3,3-dimethylbutyric acid","Acta Crystallographica, Section C: Crystal Structure Communications","2000","56","1","7","11","10.1107/s0108270199012172","","","","","","","","","","","","","","","","","","","","","has coordinates","210928","2020-10-21","18:00:00",""
"2010557","10.288","0.006","24.692","0.005","13.116","0.005","90","","97.71","0.04","90","","3302","2","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","catena-poly[tetrakis(μ-trimethylsilylacetato-O:O')dicopper(II)]","","- C20 H44 Cu2 O8 Si4 -","- C20 H44 Cu2 O8 Si4 -","- C80 H176 Cu8 O32 Si16 -","4","1","OA1095","Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","Dimeric copper(II) trimethylsilylacetate adducts with pyridine, 2-methylpyridine, 3-methylpyridine and quinoline, and a polymeric copper(II) trimethylsilylacetate","Acta Crystallographica Section C","2000","56","1","12","16","10.1107/S0108270199012147","","","0.71073","MoKα","","","0.068","","","","0.0999","","","","","","1.484","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010693","13.765","0.002","10.052","0.002","14.06","0.002","90","","116.554","0.008","90","","1740.2","0.5","296","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H14 N2 O11 Zn -","- C14 H14 N2 O11 Zn -","- C56 H56 N8 O44 Zn4 -","4","1","BM1356","Okabe, Nobuo; Oya, Naomi","Copper(II) and zinc(II) complexes of pyridine-2,6-dicarboxylic acid","Acta Crystallographica Section C","2000","56","3","305","307","10.1107/S0108270199015565","","","0.71069","MoKα","","","0.058","","","","0.114","","","","","","1.36","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010748","11.2341","0.0017","6.8536","0.0011","13.0566","0.0012","90","","97.307","0.009","90","","997.1","0.2","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","7,7-Dichloro-1,6-dimethyl-2-oxa-5-thiabicyclo[4.1.0]heptane 5,5-dioxide","","- C7 H10 Cl2 O3 S -","- C7 H10 Cl2 O3 S -","- C28 H40 Cl8 O12 S4 -","4","1","QA0222","Brewer, A. David; Ferguson, George; Znotins, Andrew A.","7,7-Dichloro-1,6-dimethyl-2-oxa-5-thiabicyclo[4.1.0]heptane 5,5-dioxide and 6-chloro-2,3-dihydro-7-methyl-5-methylene-2<i>H</i>,3<i>H</i>,5<i>H</i>-1,4-dithiepine 1,1,4,4-tetraoxide","Acta Crystallographica Section C","2000","56","3","e109","e110","10.1107/S0108270100002286","","","0.71073","MoKα","","0.042","0.029","","","","0.075","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010838","14.0685","0.0009","11.9199","0.0009","15.7428","0.0007","90","","99.541","0.004","90","","2603.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Bis[(μ-κO:O'-acetato)(μ-κO:μ-κ^2^O'-acetato){(cyclopentadienyl)tris (dimethylphosphito-P)cobalt-O,O',O""}neodymium(III)]","","- C30 H58 Co2 Nd2 O26 P6 -","- C30 H58 Co2 Nd2 O26 P6 -","- C60 H116 Co4 Nd4 O52 P12 -","2","0.5","QA0226","Roh, Soo-Gyun; Jeong, Jong Hwa","Di-μ-acetato-<i>O</i>:<i>O</i>'-di-μ-acetato-<i>O</i>,<i>O</i>':<i>O</i>'-bis{[(cyclopentadienyl)tris(dimethylphosphito-<i>P</i>)cobalt-<i>O</i>,<i>O</i>',<i>O</i>'']neodymium(III)}","Acta Crystallographica Section C","2000","56","4","e120","e121","10.1107/S0108270100003243","","","0.71073","MoKα","","0.051","0.044","","","","0.123","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010841","8.504","0.002","29.533","0.004","8.568","0.002","90","","108.05","0.02","90","","2045.9","0.8","298","1","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H19 N3 O6 -","- C22 H19 N3 O6 -","- C88 H76 N12 O24 -","4","1","QA0229","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of <i>N</i>-methyl-, <i>N</i>-isopropyl-, <i>N</i>-butyl- and <i>N</i>-isobutylcarbazole with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2000","56","4","e144","e146","10.1107/S010827010000384X","","","0.71073","MoKα","","","0.041","","","","0.122","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010845","16.227","0.002","6.982","0.002","17.435","0.002","90","","107.3","0.01","90","","1886","0.6","293","1","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C21 H16 N4 O4 -","- C21 H16 N4 O4 -","- C84 H64 N16 O16 -","4","1","QA0230","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of <i>N</i>-methyl-and <i>N</i>-ethylcarbazole with 3,5-dinitrobenzonitrile","Acta Crystallographica Section C","2000","56","4","e147","e148","10.1107/S0108270100003851","","","0.71073","MoKα","","","0.064","","","","0.16","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010955","7.453","0.005","14.911","0.005","11.458","0.005","90","","107.75","0.04","90","","1212.7","1.1","298","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H24 Cu2 N4 O8 -","- C22 H24 Cu2 N4 O8 -","- C44 H48 Cu4 N8 O16 -","2","0.5","QA0273","Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru","Tetra-μ-acetato-<i>O</i>:<i>O</i>'-bis[(7-azaindole-<i>N</i>)copper(II)]","Acta Crystallographica Section C","2000","56","5","e193","e193","10.1107/S0108270100005540","","","0.71073","MoKα","","","0.041","","","","0.148","","","","","","0.93","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011011","15.387","0.005","22.349","0.005","14.579","0.005","90","","95.337","0.005","90","","4992","3","296","2","296","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C20 H24 Cl2 Hg N2 O4 S2 -","- C20 H24 Cl2 Hg N2 O4 S2 -","- C160 H192 Cl16 Hg8 N16 O32 S16 -","8","2","JA1020","Kubo, Kanji; Kato, Nobuo; Mori, Akira; Takeshita, Hitoshi","20-Dicyanomethylene-5,8,11,14-tetraoxa-2,17-dithiabicyclo[16.4.1]tricosa-1(23),18,21-triene and its mercury(II) dichloride complex","Acta Crystallographica Section C","2000","56","6","644","646","10.1107/S010827010000305X","","","1.54184","CuKα","","0.1434","0.052","","","","0.137","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011129","7.8295","0.0006","19.3334","0.0018","8.1244","0.001","90","","116.019","0.008","90","","1105.2","0.2","293","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H22 N4 Ni O4 -","- C22 H22 N4 Ni O4 -","- C44 H44 N8 Ni2 O8 -","2","0.5","GS1082","Zukerman-Schpector, J.; Trindade, Antonio Carlos; Dunstan, P. O.","Adducts of nickel(II) acetylacetonate chelating with heterocyclic bases: 3-cyanopyridine and 4-cyanopyridine","Acta Crystallographica Section C","2000","56","7","763","765","10.1107/S0108270100004662","","","0.71073","MoKα","","0.201","0.045","","","","0.115","","","","","","0.953","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011153","21.004","0.005","13.061","0.003","14.441","0.004","90","","98.266","0.011","90","","3920.5","1.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4,5-Bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazole","","- C23 H19 N3 O4 -","- C23 H19 N3 O4 -","- C184 H152 N24 O32 -","8","2","OA1099","Inouye, Yoshinobu; Sakaino, Yoshiko","Red, orange and yellow crystals of 4,5-bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1<i>H</i>-imidazole","Acta Crystallographica Section C","2000","56","7","884","887","10.1107/S0108270100005205","","","0.71073","MoKα","","0.346","0.0864","","0.3798","","0.2213","","","0.92","","","1.067","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011240","16.5579","0.0019","10.9208","0.0013","16.5426","0.0019","90","","114.748","0.008","90","","2716.6","0.6","293","2","303","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","1,3-bis(diphenylphosphino)propanetrichlorooxorhenium(V)","","- C27 H26 Cl3 O P2 Re -","- C27 H26 Cl3 O P2 Re -","- C108 H104 Cl12 O4 P8 Re4 -","4","1","OS1104","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Pardo, Helena; Russi, Silvia; Kremer, Carlos; Rivero, Mario; Kremer, Eduardo","[1,3-Bis(diphenylphosphino)propane]trichlorooxorhenium(V)","Acta Crystallographica Section C","2000","56","8","930","931","10.1107/S0108270100006983","","","0.71069","MoKα","","0.0396","0.0261","","","","0.0717","","","","","","1.049","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011321","5.934","0.003","33.653","0.006","6.177","0.001","90","","107.12","0.03","90","","1178.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","3-bromo-2-cyano-3-(4-methylphenyl)-2-hydroxypropanamide","","- C11 H11 Br N2 O2 -","- C11 H11 Br N2 O2 -","- C44 H44 Br4 N8 O8 -","4","1","GD1105","Lah, Nina; Leban, Ivan; Majcen-Le Maréchal, Alenka; Le Grel, Philippe; Robert, Albert; Sieler, Joachim; Giester, Gerald","From α-carbamoyl-α-cyanooxiranes to 3-halogenopyruvamides","Acta Crystallographica Section C","2000","56","9","1164","1167","10.1107/S0108270100008623","","","0.71073","MoKα","","0.0831","0.0401","","","","0.1081","","","","","","0.971","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011381","6.216","0.002","14.219","0.006","9.342","0.003","90","","90.91","0.03","90","","825.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Anilinium hydrogenphosphite","","- C6 H10 N O3 P -","- C6 H10 N O3 P -","- C24 H40 N4 O12 P4 -","4","1","SK1377","Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Martin-Gil, J.","Two anilinium salts: anilinium hydrogenphosphite and anilinium hydrogenoxalate hemihydrate","Acta Crystallographica Section C","2000","56","9","1132","1135","10.1107/S0108270100008015","","","0.71073","MoKα","","0.0496","0.0283","","","","0.0839","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011482","7.692","0.003","16.825","0.003","13.7247","0.0018","90","","99.428","0.018","90","","1752.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,4-o-tolyl-3-azabicyclo[3.3.1]nonan-9-one","","- C22 H25 N O -","- C22 H25 N O -","- C88 H100 N4 O4 -","4","1","VJ1106","Vijayalakshmi, L.; Parthasarathi, V.; Venkatraj, M.; Jeyaraman, R.","2,4-Bis(<i>o</i>-tolyl)-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section C","2000","56","10","1240","1241","10.1107/S0108270100009318","","","1.5418","CuKα","","0.086","0.064","","","","0.206","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011487","11.3936","0.0003","8.2659","0.0002","16.984","0.0005","90","","90.675","0.0017","90","","1599.41","0.07","148","0.1","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","BK1550","Lloyd, Barry A.; Arif, Atta M.; Allred, Evan L.","A norbornenyl derivative with through-space ketone π-interaction","Acta Crystallographica Section C","2000","56","11","1377","1379","10.1107/S0108270100011185","","","0.71073","MoKα","","","0.041","","","","0.0898","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011527","12.455","0.005","12.401","0.005","11.14","0.005","90","","107.259","0.005","90","","1643.1","1.2","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C23 H20 O -","- C23 H20 O -","- C92 H80 O4 -","4","1","OB1037","Isobe, Shin-ichiro; Kubo, Kanji; Thiemann, Thies; Sawada, Tsuyoshi; Yonemitsu, Tadashi; Mataka, Shuntaro","Benzo[<i>i</i>]naphtho[<i>c</i>,<i>d</i>]bicyclo[5.4.1]dodecan-12-one","Acta Crystallographica Section C","2000","56","11","1367","1368","10.1107/S010827010001091X","","","0.71073","MoKα","","0.1569","0.0505","","","","0.1405","","","","","","0.991","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011538","11.542","0.004","11.246","0.005","15.641","0.005","90","","105.43","0.03","90","","1957","1.3","294","2","294","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H28 N2 Se2 -","- C18 H28 N2 Se2 -","- C72 H112 N8 Se8 -","4","1","QA0396","Feldmann, Arnold A.; Schmengler, Kai; Laue, Klaus; Marose, Stefan; Kirschbaum, Kristin; Conrad, Olaf; Giolando, Dean M.","Hydrogen bonding in <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediammonium bis(benzeneselenolate)","Acta Crystallographica Section C","2000","56","11","e531","e531","10.1107/S0108270100013986","","","0.71073","MoKα","","0.067","0.035","","","","0.085","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011735","12.7108","0.0008","7.4801","0.0006","14.2397","0.0009","90","","110.542","0.005","90","","1267.8","0.16","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Ferrocenylthiophene carboxylic acid","2-(Ferrocenyl)thiophene-3-carboxylic acid","","- C15 H12 Fe O2 S -","- C15 H12 Fe O2 S -","- C60 H48 Fe4 O8 S4 -","4","1","SK1424","Gallagher, John F.; Hudson, Richard D. A.; Manning, A. R.","Intermolecular O—H···O and C—H···π(C~5~H~5~), and intramolecular C—H···O interactions in 2-(ferrocenyl)thiophene-3-carboxylic acid","Acta Crystallographica Section C","2001","57","1","28","30","10.1107/S0108270100014360","","","0.71073","MoKα","","0.045","0.033","","","","0.082","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011752","8.9889","0.001","4.977","0.002","16.79","0.004","90","","90.9","0.01","90","","751.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Bis(Methylglycyl)terephthalamide","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C28 H32 N4 O12 -","2","0.5","DE1152","Armelin, Elaine; Escudero, Encarnacion; Campos, Lourdes; Puiggali, Jordi","<i>N</i>,<i>N</i>'-Bis(methoxycarbonylmethyl)terephthalamide","Acta Crystallographica Section C","2001","57","2","172","173","10.1107/S0108270100014864","","","1.54178","CuKα","","0.075","0.069","","","","0.175","","","","","","1.491","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011891","11.749","0.001","12.296","0.001","14.591","0.001","90","","107.544","0.003","90","","2009.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Diethylammonium [2-(2,6-dichlorophenylamino)phenyl]acetate hydrate","","- C18 H24 Cl2 N2 O3 -","- C18 H24 Cl2 N2 O3 -","- C72 H96 Cl8 N8 O12 -","4","1","NA1485","Castellari, Carlo; Comelli, Fabio; Ottani, Stefano","Anti-inflammatory drugs. IX. Hydrated diethylammonium [2-(2,6-dichlorophenylamino)phenyl]acetate (HDEA·D·H~2~O)","Acta Crystallographica Section C","2001","57","4","437","438","10.1107/S010827010002076X","","","0.71073","MoKα","","0.097","0.048","","0.146","","0.121","","","0.9","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011940","17.624","0.005","27.665","0.005","10.428","0.003","90","","94.52","0.02","90","","5069","2","296.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C27 H21 Cl3 N2 P Re -","- C27 H21 Cl3 N2 P Re -","- C216 H168 Cl24 N16 P8 Re8 -","8","2","BK1586","Miyashita, Yoshitaro; Mahboob, Nagina; Tsuboi, Satoko; Yamada, Yasunori; Fujisawa, Kiyoshi; Okamoto, Ken-ichi","<i>fac</i>-Trichloro(quinolin-8-ylimido-<i>N</i>,<i>N</i>')(triphenylphosphine-<i>P</i>)rhenium(V)","Acta Crystallographica Section C","2001","57","5","558","559","10.1107/S0108270101003535","","","0.7107","MoKα","","","0.0483","","","","0.1265","","","","","","0.973","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012018","12.487","0.002","7.5477","0.0013","17.513","0.003","90","","105.22","0.02","90","","1592.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4,7-bis[(4-pyridyl)ethynyl]-2,1,3-benzothiadiazole","","- C20 H10 N4 S -","- C20 H10 N4 S -","- C80 H40 N16 S4 -","4","1","DE1167","Akhtaruzzaman, Md.; Tomura, Masaaki; Yamashita, Yoshiro","4,7-Bis(4-pyridylethynyl)-2,1,3-benzothiadiazole and its dipyridinium diperchlorate","Acta Crystallographica Section C","2001","57","6","751","753","10.1107/S0108270101004802","","","1.54178","CuKα","","0.1282","0.0682","","","","0.2092","","","","","","1.065","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012278","18.044","0.003","7.486","0.003","19.052","0.005","90","","111.764","0.015","90","","2390.1","1.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Amiloride hydrochloride hemimethanol solvate","N-(3,5-diamino-6-chloropyrazin-2-ylcarbonyl)-N-(diaminomethylene)ammonium chloride methanol hemisolvate","","- C6.5 H11 Cl2 N7 O1.5 -","- C6.5 H11 Cl2 N7 O1.5 -","- C52 H88 Cl16 N56 O12 -","8","2","OS1141","Pretscher, Andrea; Brisander, Magnus; Bauer-Brandl, Annette; Hansen, Lars Kr.","The methanol hemisolvate of amiloride hydrochloride","Acta Crystallographica Section C","2001","57","10","1217","1219","10.1107/S0108270101012550","","","0.71069","MoKα","","0.044","0.032","","","","0.093","","","","","","1.106","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012397","11.7089","0.001","13.7888","0.0012","13.2441","0.0011","90","","96.758","0.007","90","","2123.4","0.3","294","2","294","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-(3,4-dimethoxyphenyl)-1-ferrocenylmethyl-1H-benzimidazole","","- C26 H24 Fe N2 O2 -","- C26 H24 Fe N2 O2 -","- C104 H96 Fe4 N8 O8 -","4","1","SK1507","Gallagher, John F.; Hanlon, Keith; Howarth, Joshua","Intermolecular interactions in two (ferrocenylmethyl)benzimidazoles incorporating the 4-MeOC~6~H~4~ and 3,4-(MeO)~2~C~6~H~3~ groups: analysis of MeO—C—C distortions from ideal 120{^i̧rc} geometry","Acta Crystallographica Section C","2001","57","12","1410","1414","10.1107/S0108270101015591","","","0.71073","MoKα","","0.064","0.039","","","0.086","0.096","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012401","8.671","0.0005","16.4284","0.0008","7.8287","0.0007","90","","92.542","0.006","90","","1114.11","0.13","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","TA1338","Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Yoshimura, Kimihiro; Yagi, Mikio; Higuchi, Jiro","4-Nitro-9,10-dihydrophenanthrene and a polymorphic form of 4-nitrophenanthrene","Acta Crystallographica Section C","2001","57","12","1462","1464","10.1107/S0108270101017474","","","1.54178","CuKα","","0.0465","0.0355","","0.1004","0.0928","","","","1.093","1.114","1.114","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012648","14.877","0.004","14.775","0.003","15.581","0.004","90","","115.8","0.02","90","","3083.4","1.4","296.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","cyclo-tetrakis(μ-1,4,7-trithiacyclononane- κ^3^S^1^,S^4^,S^7^:κS^1^)tetrasilver(I) tetrakis(trifluoromethanesulfonate) nitromethane disolvate","","- C30 H54 Ag4 F12 N2 O16 S16 -","- C30 H54 Ag4 F12 N2 O16 S16 -","- C60 H108 Ag8 F24 N4 O32 S32 -","2","0.5","OA1126","Yamaguchi, Tadashi; Yamazaki, Fumie; Ito, Tasuku","A cyclic tetramer of [Ag(1,4,7-trithiacyclononane)]^+^, <i>cyclo</i>-tetrakis(μ-1,4,7-trithiacyclononane-κ^3^<i>S</i>^1^,<i>S</i>^4^,<i>S</i>^7^:κ<i>S</i>^1^)tetrasilver(I) tetrakis(trifluoromethanesulfonate) nitromethane disolvate","Acta Crystallographica Section C","2002","58","4","m213","m214","10.1107/S0108270102001075","","","0.7107","MoKα","","","0.047","","","","0.133","","","","","","1.18","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012823","10.9886","0.0004","12.3322","0.0004","11.9612","0.0005","90","","112.829","0.0002","90","","1493.93","0.1","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N,N'-diphenyl-1,4-phenylenediammonium bis(4-toluenesulfonate)","","- C32 H32 N2 O6 S2 -","- C32 H32 N2 O6 S2 -","- C64 H64 N4 O12 S4 -","2","0.5","NA1567","Gawlicka-Chruszcz, Anna; Stadnicka, Katarzyna; N,N'-diphenyl-1,4-phenylenediammonium bis(4-toluenesulfonate)","A comparative study of intermolecular interactions in the crystal structures of phenyl/phenyl end-capped oligoanilines","Acta Crystallographica Section C","2002","58","7","o416","o420","10.1107/S0108270102009472","","","0.71073","MoKα","","0.081","0.066","","","0.176","0.196","","","","","","0.965","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012843","11.0515","0.0017","18.2104","0.0012","4.3441","0.0011","90","","90.47","0.02","90","","874.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","4,7-diiodo-2,1,3-benzothiadiazole","","- C6 H2 I2 N2 S -","- C6 H2 I2 N2 S -","- C24 H8 I8 N8 S4 -","4","1","TA1368","Tomura, Masaaki; Akhtaruzzaman, Md.; Suzuki, Kazuharu; Yamashita, Yoshiro","4,7-Diiodo-2,1,3-benzothiadiazole and 7,7'-diiodo-4,4'-bi(2,1,3-benzothiadiazole)","Acta Crystallographica Section C","2002","58","7","o373","o375","10.1107/S0108270102008296","","","0.71069","MoKα","","0.026","0.019","","","0.05","0.055","","","","","","0.963","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012997","7.163","0.002","18.604","0.002","7.357","0.002","90","","113.38","0.02","90","","899.9","0.4","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H9 Cl Cu O5 -","- C6 H9 Cl Cu O5 -","- C24 H36 Cl4 Cu4 O20 -","4","1","OB1078","Odoko, Mamiko; Yamamoto, Kyouta; Okabe, Nobuo","<i>catena</i>-Poly[[[aqua(2-methyl-4-oxo-4<i>H</i>-pyran-3-olato-κ<i>O</i>^3^,<i>O</i>^4^)copper(II)]-μ-chloro] monohydrate]","Acta Crystallographica Section C","2002","58","10","m506","m508","10.1107/S0108270102015226","","","0.7107","MoKα","","","0.0205","","","","0.0578","","","","","","1.074","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013160","9.3406","0.0009","10.1663","0.0006","17.9072","0.001","90","","90.136","0.006","90","","1700.5","0.2","294","1","294","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Isopropyl 4-ferrocenylbenzoate","","- C20 H20 Fe O2 -","- C20 H20 Fe O2 -","- C80 H80 Fe4 O8 -","4","1","GD1238","Anderson, Frankie P.; Gallagher, John F.; Kenny, Peter T. M.; Ryan, Clodagh; Savage, David","Ethyl and isopropyl 4-ferrocenylbenzoate","Acta Crystallographica Section C","2003","59","1","m13","m15","10.1107/S0108270102021819","","","0.71073","MoKα","","0.067","0.043","","","0.097","0.109","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013185","9.713","0.006","19.265","0.008","10.45","0.002","90","","105.74","0.03","90","","1882.1","1.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-Nitroso-1,3-diphenyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","1","NA1587","Sivakumar, B.; Sethu Sankar, K.; Senthil Kumar, U. P.; Jeyaraman, R.; Velmurugan, D.","2-Nitroso-1,3-diphenyl-1,2,3,4-tetrahydrobenzo[<i>b</i>][1,6]naphthyridine","Acta Crystallographica Section C","2003","59","3","o153","o155","10.1107/S0108270102022758","","","1.5418","CuKα","","0.069","0.057","","","0.16","0.172","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013192","16.663","0.002","10.6209","0.0005","17.652","0.002","90","","113.725","0.004","90","","2860","0.5","173.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H44 Cl2 N2 Pt -","- C28 H44 Cl2 N2 Pt -","- C112 H176 Cl8 N8 Pt4 -","4","1","OB1092","Kato, Masako; Ikemori, Mana","Dichloro(4,4'-dinonyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section C","2003","59","1","m25","m26","10.1107/S010827010202156X","","","0.7107","MoKα","","","0.04","","","","0.084","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013347","15.163","0.004","13.639","0.003","3.95","0.001","90","","92.39","0.02","90","","816.2","0.3","278.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H12 Cl4 -","- C18 H12 Cl4 -","- C36 H24 Cl8 -","2","0.5","OB1110","Yoriko Sonoda; Yuji Kawanishi; Midori Goto","(<i>E</i>,<i>E</i>,<i>E</i>)-1,6-Bis(2,4-dichlorophenyl)hexa-1,3,5-triene","Acta Crystallographica Section C","2003","59","6","o311","o313","10.1107/S0108270103008370","","","0.7107","MoKα","","","0.0406","","","","0.1094","","","","","","1.502","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013415","10.824","0.005","24.12","0.01","13.18","0.003","90","","95.42","0.03","90","","3426","2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Bis[1-(p-chlorophenyl)-5-isopropylbiguanide] nickel(II) dichloride dimethylformamide solvate.","","- C25 H39 Cl4 N11 Ni O -","- C25 H39 Cl4 N11 Ni O -","- C100 H156 Cl16 N44 Ni4 O4 -","4","1","DN1020","F. Bentefrit; P. Lemoine; D. Nguyen-Huy; G. Morgant; B. Viossat","Bis[1-(<i>p</i>-chlorophenyl)-5-isopropylbiguanide-κ^2^<i>N</i>^2^,<i>N</i>^4^]nickel(II) dichloride dimethylformamide solvate","Acta Crystallographica Section C","2003","59","8","m331","m333","10.1107/S0108270103013519","","","0.71069","MoKα","","0.1238","0.0399","","","0.0896","0.1098","","","","","","0.961","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013500","19.23","0.002","8.0506","0.001","8.4461","0.0011","90","","98.802","0.01","90","","1292.2","0.3","298","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C34 H28 O2 -","- C34 H28 O2 -","- C68 H56 O4 -","2","0.5","SK1639","Ohba, Shigeru; Yamamoto, Yohei; Tanaka, Koichi","<i>rac</i>- and <i>meso</i>-3,3'-Bis(3,5-dimethylphenyl)-3<i>H</i>,3'<i>H</i>-2,2'-biindenylidene-1,1'(2<i>H</i>,2'<i>H</i>)-dione","Acta Crystallographica Section C","2003","59","7","o370","o372","10.1107/S0108270103010308","","","0.7107","MoKα","","","0.0543","","","","0.1945","","","","","","1.21","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013607","9.5904","0.0003","13.4903","0.0005","15.8568","0.0005","90","","106.603","0.002","90","","1965.98","0.12","294","1","150","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(ferrocenylmethyl)anthracene-9-carboxamide","","- C26 H21 Fe N O -","- C26 H21 Fe N O -","- C104 H84 Fe4 N4 O4 -","4","1","GD1288","Gallagher, John F.; Kelly, Paula N.; Kenny, Peter T. M.; Lough, Alan J.","Intermolecular interactions in <i>N</i>-(ferrocenylmethyl)anthracene-9-carboxamide","Acta Crystallographica Section C","2003","59","12","m552","m554","10.1107/S010827010302585X","","","0.71073","MoKα","","0.0674","0.0395","","","0.0854","0.0974","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014288","16.03","0.004","11.726","0.003","7.7024","0.0015","90","","100.298","0.017","90","","1424.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","8-hydroxyquinolinium orthanilate","8-hydroxyquinolinium 2-aminobenzenesulfonate","","- C15 H14 N2 O4 S -","- C15 H14 N2 O4 S -","- C60 H56 N8 O16 S4 -","4","1","TA1460","Graham Smith; Urs D. Wermuth; Peter C. Healy","Hydrogen bonding in proton-transfer compounds of 8-quinolinol (oxine) with aromatic sulfonic acids","Acta Crystallographica Section C","2004","60","8","o600","o603","10.1107/S0108270104015057","","","0.71069","MoKα","","0.0967","0.0456","","","0.1171","0.1631","","","","","","0.895","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014289","15.857","0.004","17.667","0.007","6.977","0.004","90","","95.78","0.04","90","","1944.6","1.4","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","8-hydroxyquinolinium 8-hydroxy-7-iodoquinoline-5-sulfonate sesquihydrate","","","- C18 H16 I N2 O6.5 S -","- C18 H16 I N2 O6.5 S -","- C72 H64 I4 N8 O26 S4 -","4","1","TA1460","Graham Smith; Urs D. Wermuth; Peter C. Healy","Hydrogen bonding in proton-transfer compounds of 8-quinolinol (oxine) with aromatic sulfonic acids","Acta Crystallographica Section C","2004","60","8","o600","o603","10.1107/S0108270104015057","","","0.71069","MoKα","","0.0686","0.0486","","","0.1373","0.1576","","","","","","0.894","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014360","12.517","0.001","10.206","0.001","14.704","0.002","90","","111.747","0.007","90","","1744.7","0.3","223.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1',5'-dimethylspiro[10,11-dihydro-5H-dibenzo[a,d]cycloheptene-5,8'- 4'-oxatricyclo[5.1.0.0^3,5^]octane]-2',6'-dione","","- C23 H20 O3 -","- C23 H20 O3 -","- C92 H80 O12 -","4","1","HJ1087","Asahara, Haruyasu; Koizumi, Takuya; Mochizuki, Eiko; Oshima, Takumi","Two conformers of 10,11-dihydro-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cycloheptene spiro-linked with homobenzoquinone epoxide","Acta Crystallographica Section C","2006","62","3","o136","o138","10.1107/S0108270106002800","","","0.7107","MoKα","","","0.0863","","","","0.1884","","","","","","1.962","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014651","9.202","0.009","17.136","0.016","11.087","0.009","90","","92.53","0.03","90","","1747","3","296.1","","296.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(Di-2-pyridylamine-κ^2^N,N')(naphthalene-2,3-diolato-κ^2^O,O')palladium(II) monohydrate","","- C20 H17 N3 O3 Pd -","- C20 H17 N3 O3 Pd -","- C80 H68 N12 O12 Pd4 -","4","1","FG1798","Yue Wang; Yu Mizubayashi; Mamiko Odoko; Nobuo Okabe","(Di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')(naphthalene-2,3-diolato-κ^2^<i>O</i>,<i>O</i>')palladium(II) monohydrate and (di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')(3-oxidonaphthalene-2-carboxylato-κ^2^<i>O</i>,<i>O</i>')palladium(II)","Acta Crystallographica Section C","2005","61","2","m67","m70","10.1107/S010827010403197X","","","0.71075","MoKα","","0.0225","0.0194","","","0.0528","0.0537","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014792","9.0806","0.0017","12.1903","0.0017","6.3424","0.0012","90","","106.379","0.016","90","","673.6","0.2","20","2","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","ammonium copper Tutton salt","perdeuterated diammonium hexaaquacopper(II) bis(sulfate)","","- Cu0.966 D17.16 H2.84 N2 O14 S2 Zn0.034 -","- Cu0.966 D17.16 H2.84 N2 O14 S2 Zn0.034 -","- Cu1.932 D34.32 H5.68 N4 O28 S4 Zn0.068 -","2","0.5","FA1122","Schultz, Arthur J.; Cowan, John A.; Hitchman, Michael A.; Stratemeier, Horst","Single-crystal neutron-diffraction study of 3.4% Zn-doped (ND~4~)~2~[Cu(D~2~O)~6~](SO~4~)~2~ at 20 K","Acta Crystallographica Section C","2005","61","5","m234","m236","10.1107/S0108270105009121","","","","white-beam","","","0.0542","","","","0.0889","","","","","","1.171","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015043","18.4449","0.0005","9.0987","0.0003","18.675","0.0005","90","","90.535","0.002","90","","3133.99","0.16","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","catena-poly[bromotetrakis(μ2-tert-butoxo)- bis(tetrahydrofuran-?O)iron(III)dilithium]","","- C24 H52 Br Fe Li2 O6 -","- C24 H52 Br Fe Li2 O6 -","- C96 H208 Br4 Fe4 Li8 O24 -","4","1","SF1003","Barley, Helen R. L.; Kennedy, Alan R.; Mulvey, Robert E.","A mixed iron(III)/lithium alkoxide","Acta Crystallographica Section C","2005","61","7","m346","m347","10.1107/S0108270105017555","","","0.71073","MoKα","","0.0422","0.0293","","","0.0638","0.0696","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015346","10.3661","0.0002","9.5622","0.0002","9.1261","0.0002","90","","108.386","0.001","90","","858.43","0.03","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","cis-(isopropylamine) ammine dichloro platinum(II)","cis-Amminedichloroisopropylamineplatinum(II)","","- C3 H12 Cl2 N2 Pt -","- C3 H12 Cl2 N2 Pt -","- C12 H48 Cl8 N8 Pt4 -","4","1","DN3009","Kirik, Sergei D.; Starkov, Aleksandr K.; Kozhuhovskay, Galina A.","<i>cis</i>-Amminedichloroisopropylamineplatinum(II) by X-ray powder diffraction analysis","Acta Crystallographica Section C","2006","62","6","m249","m251","10.1107/S0108270106013503","","","1.5418","CuKα","","","","","","","","","","1.29","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015432","16.4733","0.0017","11.0224","0.001","19.693","0.002","90","","96.887","0.009","90","","3550","0.6","295","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[Fe(Cp*)~2~][Ni(dmio)~2~]","Decamethylferrocenium bis(2-oxo-1,3-dithiole-4,5-dithiolato-κ^2^S^4^,S^5^)nickelate(III) tetrahydrofuran solvate","","- C30 H38 Fe Ni O3 S8 -","- C30 H38 Fe Ni O3 S8 -","- C120 H152 Fe4 Ni4 O12 S32 -","4","1","GD3016","Rabaça, S.; Santos, I. C.; Duarte, M. T.; Gama, V.","Decamethylferrocenium bis(2-oxo-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)nickelate(III) tetrahydrofuran solvate","Acta Crystallographica Section C","2006","62","7","m278","m280","10.1107/S0108270106018191","","","0.71073","MoKα","","0.1652","0.072","","","0.122","0.149","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015531","10.727","0.007","5.828","0.003","12.613","0.009","90","","103.24","0.08","90","","767.6","0.9","291","2","291","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Sodium trichloromethanesulfonate monohydrate","","- C H2 Cl3 Na O4 S -","- C H2 Cl3 Na O4 S -","- C4 H8 Cl12 Na4 O16 S4 -","4","1","BC3009","Damian, Emiliana; Eriksson, Lars; Sandström, Magnus","Sodium trichloromethanesulfonate monohydrate","Acta Crystallographica Section C","2006","62","9","m419","m420","10.1107/S0108270106026448","","","0.71073","MoKα","","0.069","0.0476","","","0.1171","0.1266","","","","","","0.962","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015586","8.747","0.004","9.016","0.005","9.863","0.009","90","","100.96","0.04","90","","763.6","0.9","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Lead Vanadylphosphate","dilead vanadium oxide bis(phosphate)","","- O9 P2 Pb2 V -","- O9 P2 Pb2 V -","- O36 P8 Pb8 V4 -","4","1","AV3010","Roman V. Shpanchenko; Enrique E. Kaul; Christoph Geibel; Evgeny V. Antipov","The new lead vanadylphosphate Pb~2~VO(PO~4~)~2~","Acta Crystallographica Section C","2006","62","10","i88","i90","10.1107/S0108270106021597","","","0.71069","MoKα","","0.0321","0.0321","","","0.0445","0.0445","","","","","","1.62","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2015719","7.5109","0.0012","11.9244","0.0017","8.1794","0.0012","90","","98.405","0.013","90","","724.7","0.19","113","2","113","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1,3,5-trihydroxy-1,3,5-triazinane-2,4,6-trione dihydrate","","- C3 H7 N3 O8 -","- C3 H7 N3 O8 -","- C12 H28 N12 O32 -","4","1","AV3046","Đilović, Ivica; Matković-Čalogović, Dubravka; Kos, Ivan; Biruš, Mladen; Jadrijević-Mladar Takač, Milena","Cyclic trihydroxamic acid derivatives","Acta Crystallographica Section C","2007","63","1","o45","o47","10.1107/S0108270106049985","","","0.71073","MoKα","","0.0369","0.0335","","","0.0854","0.0881","","","","","","1.122","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016214","7.4161","0.0002","21.674","0.0006","9.0312","0.0003","90","","108.233","0.006","90","","1378.76","0.08","295","2","295","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","5-(5-Nitropyridin-2-yldithio)-1-phenyl-1H-tetrazole","","- C12 H8 N6 O2 S2 -","- C12 H8 N6 O2 S2 -","- C48 H32 N24 O8 S8 -","4","1","SF3052","Brito, Iván; Mundaca, Aldo; Cárdenas, Alejandro; López-Rodríguez, Matías","5-(5-Nitropyridin-2-yldithio)-1-phenyl-1<i>H</i>-tetrazole","Acta Crystallographica Section C","2007","63","10","o606","o608","10.1107/S010827010704142X","","","0.71073","MoKα","","","0.0497","","","","0.1387","","","","","","1.16","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016342","12.265","0.001","13.197","0.001","9.7385","0.0009","90","","108.63","0.01","90","","1493.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Ferrous iron hydroxide phosphate","diiron(II) phosphate hydroxide","","- Fe2 H O5 P -","- Fe2 H O5 P -","- Fe32 H16 O80 P16 -","16","4","IZ3034","Hatert, Frédéric","Fe^II^~2~(PO~4~)(OH), a synthetic analogue of wolfeite","Acta Crystallographica Section C","2007","63","12","i119","i121","10.1107/S0108270107053462","","","0.71073","MoKα","","0.081","0.03","","","0.0573","0.0652","","","","","","0.856","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016453","6.7246","0.0002","16.7456","0.0005","9.8026","0.0003","90","","97.32","0.002","90","","1094.85","0.06","173","2","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1,4-Diethynyl-2,5-bis(heptyloxy)benzene","","- C24 H34 O2 -","- C24 H34 O2 -","- C48 H68 O4 -","2","0.5","SK3181","Figueira, João; Rodrigues, João; Russo, Luca; Rissanen, Kari","Three 2,5-dialkoxy-1,4-diethynylbenzene derivatives","Acta Crystallographica Section C","2008","64","2","o33","o36","10.1107/S0108270107065523","","","0.71073","MoKα","","","0.044","","","","0.1066","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016574","11.5658","0.0004","8.0116","0.0003","12.2308","0.0004","90","","93.453","0.002","90","","1131.26","0.07","296.1","","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(1-Pyridinio)perfluorophenacylide","","- C13 H6 F5 N O -","- C13 H6 F5 N O -","- C52 H24 F20 N4 O4 -","4","1","SQ3132","Yamada, Shinji; Ohta, Emiko","(1-Pyridinio)perfluorophenacylide: a new stable pyridinium ylide in the enol form","Acta Crystallographica Section C","2008","64","4","o230","o232","10.1107/S0108270108006318","","","1.54187","CuKα","","0.0372","0.0339","","","0.0984","0.104","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016694","7.9395","0.0011","5.3867","0.0008","8.0529","0.0012","90","","91.058","0.013","90","","344.35","0.09","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","indium tellurium trioxide fluoride","","- F In O3 Te -","- F In O3 Te -","- F4 In4 O12 Te4 -","4","1","SQ3138","Jennene Boukharrata, Nefla; Laval, Jean-Paul; Thomas, Philippe","Two new types of oxyfluorotellurates(IV): ScTeO~3~F and InTeO~3~F","Acta Crystallographica Section C","2008","64","7","i57","i61","10.1107/S0108270108017150","","","0.71073","MoKα","","0.0356","0.029","","","0.0817","0.0855","","","","","","1.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016895","18.93","0.01","23.029","0.008","12.807","0.004","90","","90.24","0.04","90","","5583","4","291","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C20 H45 Cl2 P Pt S -","- C20 Cl2 P Pt S -","- C160 Cl16 P8 Pt8 S8 -","8","2","PA1017","Michaud-Soret, I.; Kozelka, J.; Bois, C.","<i>cis</i>-Dichloro(di-<i>n</i>-butyl sulfide)(tri-<i>n</i>-butylphosphine)platinum(II)","Acta Crystallographica Section C","1993","49","3","589","591","10.1107/S0108270192010266","","","0.7107","MoKα","","","0.061","","","0.069","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2017461","9.817","0.002","9.741","0.003","11.012","0.002","90","","101.76","0.02","90","","1030.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","lithium cobalt(II/III) bis(diphosphate)","","- Co1.97 Li4.03 O14 P4 -","- Co1.969 Li4.021 O14 P4 -","- Co7.876 Li16.084 O56 P16 -","4","1","DN3129","Kouass, Salah; Guesmi, Abderrahmen; Driss, Ahmed","Le phosphate de cobalt et de lithium à valence mixte Li~4+<i>x~</i>Co~2{-~<i>x</i>}(P~2~O~7~)~2~ (<i>x</i> = 0,03): étude structurale et analyse de distribution de charge","Acta Crystallographica Section C","2010","66","1","i4","i6","10.1107/S0108270109052810","","","0.71073","MoKα","","0.0504","0.0377","","","0.0942","0.1002","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018857","7.518","","12.809","","5.904","","90","","92.25","","90","","568.105","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Pb Ag Sb S3","","- Ag Pb S3 Sb -","- Ag Pb S3 Sb -","- Ag4 Pb4 S12 Sb4 -","4","1","","Fan, H.-F.; Woolfson, M.M.; Main, P.; Yao, J.-X.","On the Application of Phase Relationships to Complex Structures. XXIII. Automatic Determination of Crystal Structures having Pseudo-Translational Symmetry by a Modified MULTAN Procedure","Acta Crystallographica C (39,1983-)","1983","39","","566","569","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019097","11.1132","0.0004","5.4109","0.0002","13.1888","0.0005","90","","106.37","0.002","90","","760.92","0.05","160","2","160","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Diaquabis(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zinc(II)","","- C18 H16 N2 O4 Zn -","- C18 H16 N2 O4 Zn -","- C36 H32 N4 O8 Zn2 -","2","0.5","SK3496","Varelas, Georgios; Salifoglou, Athanasios; Psycharis, Vassilis","Psuedosymmetry and pseudomerodry or nonmerohedral twinning for the known structure of diaquabis(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zinc(II)","Acta Crystallographica Section C","2013","69","8","868","871","10.1107/S0108270113018386","","","1.54178","CuKα","","0.0392","0.0338","","","0.0885","0.0912","","","","","","1.147","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019332","10.7355","0.0009","9.1456","0.0007","4.8304","0.0004","90","","106.46","0.01","90","","454.82","0.07","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","D,L-Serine","(±) 2-Amino-3-hydroxypropionic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","","Dittrich, B.; Hübschle, C. B.; Messerschmidt, M.; Kalinowski, R.; Girnt, D.; Luger, P.","The invariom model and its application: refinement ofD,L-serine at different temperatures and resolution","Acta Crystallographica Section A Foundations of Crystallography","2005","61","3","314","320","10.1107/S0108767305005039","","","0.71073","MoKα","","0.0346","0.0223","","","","0.0257","","","","","","1.3889","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019333","10.7621","0.001","9.1771","0.0009","4.7883","0.0005","90","","106.76","0.02","90","","452.83","0.09","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","D,L-Serine","(±) 2-Amino-3-hydroxypropionic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","","Dittrich, B.; Hübschle, C. B.; Messerschmidt, M.; Kalinowski, R.; Girnt, D.; Luger, P.","The invariom model and its application: refinement ofD,L-serine at different temperatures and resolution","Acta Crystallographica Section A Foundations of Crystallography","2005","61","3","314","320","10.1107/S0108767305005039","","","0.71073","MoKα","","0.0347","0.0228","","","","0.0237","","","","","","1.2422","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019334","10.7764","0.001","9.1947","0.0009","4.7788","0.0005","90","","106.87","0.02","90","","453.13","0.09","20","","20","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","D,L-Serine","(±) 2-Amino-3-hydroxypropionic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","","Dittrich, B.; Hübschle, C. B.; Messerschmidt, M.; Kalinowski, R.; Girnt, D.; Luger, P.","The invariom model and its application: refinement ofD,L-serine at different temperatures and resolution","Acta Crystallographica Section A Foundations of Crystallography","2005","61","3","314","320","10.1107/S0108767305005039","","","0.71073","MoKα","","0.0272","0.0196","","","","0.0218","","","","","","1.2952","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2020186","15.509","","9.132","","18.021","","90","","125.306","","90","","2082.86","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Al Fe (Mo O4)3","","- Al Fe Mo3 O12 -","- Al Fe Mo3 O12 -","- Al8 Fe8 Mo24 O96 -","8","2","","Harrison, W.T.A.; Cheetham, A.K.","The structure of aluminium iron molybdate","Acta Crystallographica C (39,1983-)","1989","45","","178","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020197","9.236","","13.514","","6.246","","90","","106.84","","90","","746.165","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N H4)2 (Zn (H2 O)6) (S O4)2","","- H20 N2 O14 S2 Zn -","- H20 N2 O14 S2 Zn -","- H40 N4 O28 S4 Zn2 -","2","0.5","","Maslen, E.N.; Moore, F.H.; Watson, K.J.; Ridout, S.C.","Electron density in diammonium hexaaquazinc(II)sulfate an X-ray and neutron study","Acta Crystallographica C (39,1983-)","1988","44","","1510","1514","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020200","20.783","","10.105","","15.085","","90","","112.15","","90","","2934.23","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","K5 H2 (Sb Mo6 O24) (H2 O)7","","- H16 K5 Mo6 O31 Sb -","- K5 Mo6 O31 Sb -","- K20 Mo24 O124 Sb4 -","4","1","","Ogawa, A.; Yamato, H.; Sasaki, Y.; Ichida, H.; Lee, U.; Kobayashi, A.","Structure of pentapotassium dihydrogen hexamolybdo antimonate heptahydrate","Acta Crystallographica C (39,1983-)","1988","44","","1879","1881","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020215","9.441","","5.37","","5.495","","90","","93.61","","90","","278.034","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- Pd7 Se2 -","- Pd7 Se2 -","- Pd14 Se4 -","2","0.5","","Sato, S.; Ishikawa, M.; Takabatake, T.","Structures of superconducting palladium selenides, Pd7 Se2 and Pd34 Se11","Acta Crystallographica C (39,1983-)","1989","45","","1","3","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020364","16.96","","7.7144","","6.9963","","90","","90.394","","90","","915.348","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Ca (P O3)2","","- Ca O6 P2 -","- Ca O6 P2 -","- Ca8 O48 P16 -","8","2","","Rothammel, W.; Burzlaff, H.; Specht, R.","Structure of calcium metaphosphate Ca (P O3)2","Acta Crystallographica C (39,1983-)","1989","45","","551","553","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020377","8.34","","17.069","","8.813","","90","","91.47","","90","","1254.17","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Rb Bi (Cr2 O7)2","","- Bi Cr4 O14 Rb -","- Bi Cr4 O14 Rb -","- Bi4 Cr16 O56 Rb4 -","4","1","","Gerault, Y.; Cudennec, Y.; Riou, A.; le Marouille, J.Y.","Bis(dichromate) de bismuth et de rubidium, Rb Bi (Cr2 O7)2","Acta Crystallographica C (39,1983-)","1984","40","","220","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020635","13.214","0.002","13.043","0.002","9.5501","0.0008","90","","94.01","0.01","90","","1641.9","0.4","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","BaGe2O5-II","","","- Ba Ge2 O5 -","- Ba Ge2 O5 -","- Ba16 Ge32 O80 -","16","4","","Ozima, M.","Structure of high-pressure phases of barium germanium oxide, BaGe~2~O~5~","Acta Crystallographica, Section C: Crystal Structure Communications","1985","41","7","1003","1007","10.1107/s0108270185006357","","","","","","","","","","","","","","","","","","","","","has coordinates","200795","2020-10-21","18:00:00",""
"2020714","9.488","0.002","12.816","0.004","6.097","0.002","90","","107.11","0.01","90","","708.6","0.4","","","4.3","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cr D20 N2 O14 S2 -","- Cr D20 N2 O14 S2 -","- Cr2 D40 N4 O28 S4 -","2","0.5","","Figgis, Brian N.; Kucharski, Edward S.; Forsyth, J. Bruce","The structure of (ND4)2Cr(SO4)2.6D2O at 4.3 K by neutron diffraction","Acta Crystallographica Section C","1991","47","","419","421","10.1107/S0108270190007776","","neutron","1.176","","","","0.023","","","0.029","","","","","","","","","","","has coordinates","191940","2020-10-21","18:00:00",""
"2020755","9.735","0.002","21","0.005","7.14","0.004","90","","75.98","0.02","90","","1416.2","0.9","","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H32 Cl2 N2 O4 Sn -","- C30 Cl2 N2 O4 Sn -","- C60 Cl4 N4 O8 Sn2 -","2","0.5","","Kamwaya, M. E.; Khoo, L. E.","Molecular adduct of dimethyltin dichloride with 2-(p-methoxyphenyliminomethyl)phenol, [SnCl~2~(CH~3~)~2~(C~14~H~13~NO~2~)~2~]","Acta Crystallographica, Section C: Crystal Structure Communications","1985","41","7","1027","1029","10.1107/s0108270185006448","","x-ray","0.71069","MoKα","","","0.0417","","","0.042","","","","","","","","","","","has coordinates","200783","2020-10-21","18:00:00",""
"2021178","12.3957","0.0008","4.9381","0.0002","14.2102","0.0012","90","","94.871","0.006","90","","866.68","0.1","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","3-(3-Chloro/bromophenyl)prop-2-enoic acid","","- C9 H7 Br0.43 Cl0.57 O2 -","- C9 H7 Br0.425 Cl0.575 O2 -","- C36 H28 Br1.7 Cl2.3 O8 -","4","1","KU3223","Khoj, Manal A.; Hughes, Colan E.; Harris, Kenneth D. M.; Kariuki, Benson M.","Polymorphic phase transformations of 3-chloro-<i>trans</i>-cinnamic acid and its solid solution with 3-bromo-<i>trans</i>-cinnamic acid","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009269","","","1.54184","CuKα","","0.0479","0.0367","","","0.0899","0.0972","","","","","","0.996","","","","has coordinates","209026","2020-10-21","18:00:00",""
"2021342","13.2517","0.0003","10.0091","0.0002","13.958","0.0003","90","","112.931","0.0012","90","","1705.05","0.06","295","","295","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","<i>N</i>,<i>N</i>'-(1,4-Phenylene)bis(<i>O</i>,<i>O</i>'-dimethylthiophosphoramidate)","","- C10 H18 N2 O4 P2 S2 -","- C10 H18 N2 O4 P2 S2 -","- C40 H72 N8 O16 P8 S8 -","4","1","CU3131","Vahdani Alviri, Banafsheh; Pourayoubi, Mehrdad; Farhadipour, Abolghasem; Nečas, Marek; Bertolasi, Valerio","A combined X-ray crystallography and theoretical study of N—H···O<i>X</i> (<i>X</i> is =P and —C) hydrogen bonds in two new structures with a (C—O)~2~(N)P(=<i>Y</i>) (<i>Y</i> is O and S) skeleton","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014006","","","0.71073","MoKα","","0.0568","0.0423","","","0.1046","0.1148","","","","","","1.016","","","","has coordinates,has Fobs","211977","2020-10-21","18:00:00",""
"2022015","10.7764","0.001","9.1947","0.0009","4.7788","0.0005","90","","106.87","0.02","90","","453.13","0.09","20","","20","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0159","0.0148","","","0.0359","0.0362","","","","","","0.9499","","","","has coordinates","250594","2020-10-21","18:00:00",""
"2100132","10.4021","0.0003","15.3698","0.0006","16.6432","0.0007","90","","99.085","0.0016","90","","2627.5","0.17","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H33 N7 O5 -","- C24 H33 N7 O5 -","- C96 H132 N28 O20 -","4","1","","","","Acta Crystallographica, Section B","2005","61","","569","576","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100197","10.1282","0.0004","10.2303","0.0005","8.31325","0.00035","90","","93.2908","0.0017","90","","859.95","0.07","180","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","gamma butyrolactone","","","- C4 H6 O2 -","- C4 H6 O2 -","- C32 H48 O16 -","8","2","","Papoular, Robert J; Allouchi, Hassan; Chagnes, Alexandre; Dzyabchenko, Alexander V; Carre, Bernard; Lemordant, Daniel; Agafonov, Viatcheslav","X-Ray powder diffraction structure determination of γ-butyrolactone at 180 K. Phase problem solution from the lattice energy minimization with two independent molecules.","Acta Crystallographica, Section B","2005","61","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100603","8.0348","0.0015","5.8899","0.0008","8.565","0.003","90","","123.59","0.02","90","","337.65","0.16","298","2","298","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","naphthalene","","","- C10 H8 -","- C10 H8 -","- C20 H16 -","2","0.5","BS5035","F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham","Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene","Acta Crystallographica Section B","2006","62","5","826","842","10.1107/S0108768106026814","","","0.71073","MoKα","","0.0999","0.0707","","","0.1578","0.1807","","","","","","1.225","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100604","7.9948","0.0012","5.8726","0.0008","8.542","0.002","90","","123.677","0.016","90","","333.74","0.12","298","2","298","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","naphthalene","","","- C10 H8 -","- C10 H8 -","- C20 H16 -","2","0.5","BS5035","F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham","Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene","Acta Crystallographica Section B","2006","62","5","826","842","10.1107/S0108768106026814","","","0.71073","MoKα","","0.0919","0.0624","","","0.1754","0.197","","","","","","1.073","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100605","7.8523","0.0011","5.8106","0.0009","8.474","0.002","90","","124.027","0.016","90","","320.44","0.12","298","2","298","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","naphthalene","","","- C10 H8 -","- C10 H8 -","- C20 H16 -","2","0.5","BS5035","F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham","Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene","Acta Crystallographica Section B","2006","62","5","826","842","10.1107/S0108768106026814","","","0.71073","MoKα","","0.1326","0.0963","","","0.1835","0.2013","","","","","","1.158","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100606","7.6778","0.0017","5.721","0.001","8.395","0.003","90","","124.55","0.02","90","","303.71","0.16","298","2","298","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","naphthalene","","","- C10 H8 -","- C10 H8 -","- C20 H16 -","2","0.5","BS5035","F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham","Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene","Acta Crystallographica Section B","2006","62","5","826","842","10.1107/S0108768106026814","","","0.71073","MoKα","","0.1573","0.1204","","","0.2932","0.3256","","","","","","1.139","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100607","15.35","0.09","3.852","0.003","8.65","0.07","90","","103.3","0.4","90","","498","5","298","2","298","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","pyrene","","","- C16 H10 -","- C16 H10 -","- C32 H20 -","2","0.5","BS5035","F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham","Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene","Acta Crystallographica Section B","2006","62","5","826","842","10.1107/S0108768106026814","","","0.71073","MoKα","","0.2523","0.1182","","","0.3024","0.4076","","","","","","1.08","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100608","15.309","0.004","3.8375","0.0005","8.3341","0.0016","90","","102.606","0.019","90","","477.81","0.17","298","2","298","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","pyrene","","","- C16 H10 -","- C16 H10 -","- C32 H20 -","2","0.5","BS5035","F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham","Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene","Acta Crystallographica Section B","2006","62","5","826","842","10.1107/S0108768106026814","","","0.71073","MoKα","","0.2227","0.1336","","","0.3232","0.4006","","","","","","1.111","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100625","14.331","0.007","4.535","0.002","6.514","0.003","90","","91.67","0.02","90","","423.2","0.3","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- H2 O4 P Tl -","- H2 O4 P Tl -","- H8 O16 P4 Tl4 -","4","1","LC5039","Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G.","Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature","Acta Crystallographica, Section B","2006","62","4","719","728","10.1107/S0108768106018222","","neutron","1.2413","neutron","","","0.051","","","","0.0603","","","","","","3.9","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100626","14.26","0.02","4.517","0.009","6.497","0.01","90","","92.19","0.13","90","","418.2","1.1","240","","240","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- H2 O4 P Tl -","- H2 O4 P Tl -","- H8 O16 P4 Tl4 -","4","1","LC5039","Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G.","Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature","Acta Crystallographica, Section B","2006","62","4","719","728","10.1107/S0108768106018222","","neutron","0.8724","neutron","","","0.0458","","","","0.0544","","","","","","2.21","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100747","10.048","0.008","5.382","0.002","17.525","0.013","90","","95.63","0.04","90","","943.2","1.1","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","HA0069","Kojić-Prodić, B.; Nigović, B.; Tomić, S.; Ilić, N.; Magnus, V.; Giba, Z.; Konjević, R.; Duax, W. L.","Structural studies on 5-(<i>n</i>-alkyl)-substituted derivatives of the plant hormone indole-3-acetic acid","Acta Crystallographica Section B","1991","47","6","1010","1019","10.1107/S0108768191008996","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100749","6.281","0.002","8.022","0.001","23.205","0.006","90","","91.26","0.01","90","","1168.9","0.5","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","HA0069","Kojić-Prodić, B.; Nigović, B.; Tomić, S.; Ilić, N.; Magnus, V.; Giba, Z.; Konjević, R.; Duax, W. L.","Structural studies on 5-(<i>n</i>-alkyl)-substituted derivatives of the plant hormone indole-3-acetic acid","Acta Crystallographica Section B","1991","47","6","1010","1019","10.1107/S0108768191008996","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100750","6.332","0.006","8.116","0.004","24.92","0.02","90","","93.33","0.04","90","","1278.5","1.7","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","HA0069","Kojić-Prodić, B.; Nigović, B.; Tomić, S.; Ilić, N.; Magnus, V.; Giba, Z.; Konjević, R.; Duax, W. L.","Structural studies on 5-(<i>n</i>-alkyl)-substituted derivatives of the plant hormone indole-3-acetic acid","Acta Crystallographica Section B","1991","47","6","1010","1019","10.1107/S0108768191008996","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100761","9.399","0.002","12.673","0.002","6.071","0.001","90","","107.13","0.01","90","","691.1","0.2","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu D20 N2 O14 S2 -","- Cu D20 N2 O14 S2 -","- Cu2 D40 N4 O28 S4 -","2","0.5","AL0504","Figgis, B. N.; Khor, L.; Kucharski, E. S.; Reynolds, P. A.","Charge density around a Jahn-Teller-distorted site: (ND~4~)~2~Cu(SO~4~)~2~.6D~2~O at 85 K","Acta Crystallographica Section B","1992","48","2","144","151","10.1107/S010876819101323X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2100815","21.01","0.001","18.725","0.002","11.574","0.001","90","","104.9","0.01","90","","4400.3","0.7","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H26 Cl12 Cu2 N2 O8 -","- C29 H26 Cl12 Cu2 N2 O8 -","- C116 H104 Cl48 Cu8 N8 O32 -","4","1","AS0591","Uekusa, H.; Ohba, S.; Tokii, T.; Muto, Y.; Kato, M.; Husebye, S.; Steward, O. W.; Chang, S.-C.; Rose, J. P.; Pletcher, J. F.; Suzuki, I.","Magneto-structural corrections of dimeric copper(II) trichloroacetates","Acta Crystallographica Section B","1992","48","5","650","667","10.1107/S0108768192002908","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","208452","2020-10-21","18:00:00",""
"2100820","20.37","0.002","18.296","0.003","11.505","0.002","90","","100.35","0.01","90","","4218","1.1","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C24 H12 Cl16 Cu2 N2 O8 -","- C24 H12 Cl16 Cu2 N2 O8 -","- C96 H48 Cl64 Cu8 N8 O32 -","4","1","AS0591","Uekusa, H.; Ohba, S.; Tokii, T.; Muto, Y.; Kato, M.; Husebye, S.; Steward, O. W.; Chang, S.-C.; Rose, J. P.; Pletcher, J. F.; Suzuki, I.","Magneto-structural corrections of dimeric copper(II) trichloroacetates","Acta Crystallographica Section B","1992","48","5","650","667","10.1107/S0108768192002908","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","208452","2020-10-21","18:00:00",""
"2100824","20.788","0.005","17.951","0.004","9.693","0.002","90","","99.45","0.02","90","","3568","1.4","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H8 Cl12 Cu2 N4 O8 -","- C20 H8 Cl12 Cu2 N4 O8 -","- C80 H32 Cl48 Cu8 N16 O32 -","4","1","AS0591","Uekusa, H.; Ohba, S.; Tokii, T.; Muto, Y.; Kato, M.; Husebye, S.; Steward, O. W.; Chang, S.-C.; Rose, J. P.; Pletcher, J. F.; Suzuki, I.","Magneto-structural corrections of dimeric copper(II) trichloroacetates","Acta Crystallographica Section B","1992","48","5","650","667","10.1107/S0108768192002908","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","208452","2020-10-21","18:00:00",""
"2100855","12.337","0.002","6.361","0.003","19.891","0.002","90","","96.44","0.01","90","","1551.1","0.8","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H24 O -","- C22 H24 O -","- C88 H96 O4 -","4","1","ST0578","Watson, W. H.; Kashyap, R. P.; Krawiec, M.; Marchand, A. P.; Reddy, C. M.; Gadgil, V. R.","<i>meso</i>- and <small>D</small>,<small>L</small>-<i>D</i>~3~-trishomocubylidene-<i>D</i>~3~-trishomocubane oxides and <small>D</small>,<small>L</small>-bi-<i>D</i>~3~-trishomocubyl","Acta Crystallographica Section B","1992","48","5","731","737","10.1107/S0108768192004178","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2100866","9.584","0.002","7.601","0.003","8.903","0.002","90","","92.67","0.03","90","","647.9","0.3","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C7 H6 F N O -","- C7 H6 F N O -","- C28 H24 F4 N4 O4 -","4","1","AS0604","Kubota, M.; Ohba, S.","Electron-density distribution in fluorobenzene derivatives","Acta Crystallographica Section B","1992","48","6","849","854","10.1107/S0108768192006062","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100870","9.902","0.002","9.381","0.002","15.174","0.002","90","","103.25","0.01","90","","1372","0.4","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H15 Cl2 N O3 -","- C13 H15 Cl2 N O3 -","- C52 H60 Cl8 N4 O12 -","4","1","CR0416","Ammon, H. L.; Bashir-Hashemi, A.","Structures of secocubane and nortwistbrendane derivatives","Acta Crystallographica Section B","1992","48","6","832","837","10.1107/S0108768192005238","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2100956","8.67","0.004","14.095","0.004","11.682","0.002","90","","99.32","","90","","1408.7","0.8","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C12 H17 N5 O S -","- C12 H17 N5 O S -","- C48 H68 N20 O4 S4 -","4","1","HA0114","Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S.","Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine","Acta Crystallographica Section B","1993","49","3","547","559","10.1107/S0108768193000217","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101002","10.9354","0.0006","14.502","0.001","13.019","0.001","90","","114.481","0.004","90","","1879","0.2","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C21 H14 Cl N3 O2 -","- C21 H14 Cl N3 O2 -","- C84 H56 Cl4 N12 O8 -","4","1","HH0630","Duke, N. E. C.; Codding, P. W.","Structural and molecular modeling studies of quinazolinone anticonvulsants","Acta Crystallographica Section B","1993","49","4","719","726","10.1107/S0108768193000576","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","296843","2024-12-11","14:15:26",""
"2101038","9.393","0.002","12.666","0.002","6.061","0.001","90","","107.16","0.01","90","","689","0.2","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- Cu D20 N2 O14 S2 -","- N2 O14 S2 -","- N4 O28 S4 -","2","0.5","HL0025","Figgis, B. N.; Iversen, B. B.; Larson, F. K.; Reynolds, P. A.","<i>X</i>‒<i>N</i> study of the electron density in (ND~4~)~2~Cu(SO~4~)~2~.6D~2~O at 9 K: flexible radial functions are vital","Acta Crystallographica Section B","1993","49","5","794","806","10.1107/S0108768193002812","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101064","16.621","0.002","18.803","0.002","9.155","0.001","90","","105.03","0.02","90","","2763.3","0.6","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C24 H36 Co N6 O4 -","- C25 H38 Co N6 O4 -","- C100 H152 Co4 N24 O16 -","4","1","AS0637","Takenaka, Y.; Ohashi, Y.; Tamura, T.; Uchida, A.; Sasada, Y.","Three polymorphs of (<i>rac</i>-1-cyanoethyl)(pyrrolidine)cobaloxime","Acta Crystallographica Section B","1993","49","6","1015","1020","10.1107/S0108768193007347","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101082","11.641","0.005","13.914","0.01","10.399","0.006","90","","102.71","0.04","90","","1643.1","1.7","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","AS0644","Mori, Y.; Maeda, K.","Structures and photochemical reactions of 1-(9-anthryl)-2-aroylethylenes: competing <i>cis</i>‒<i>trans</i> isomerization and skeletal rearrangement","Acta Crystallographica Section B","1994","50","1","106","112","10.1107/S0108768193008961","","","0.71068","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101088","9","0.004","9.398","0.001","11.355","0.008","90","","110.97","0.04","90","","896.8","0.8","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C40 H36 N12 O4 -","4","1","HA0118","Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G.","Crystal and molecular structures of pyridazinone cardiovascular agents","Acta Crystallographica Section B","1994","50","1","71","85","10.1107/S0108768193005713","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101143","10.8657","0.0014","9.2663","0.001","15.722","0.002","90","","107.474","0.01","90","","1509.9","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C64 H56 F8 O24 -","8","2","AB0316","Larsen, S.; Marthi, K.","Structures of racemic monofluoro-substituted mandelic acids, their relation to the thermochemical properties and an analysis of short intermolecular fluorine‒carbon contacts","Acta Crystallographica Section B","1994","50","3","373","381","10.1107/S0108768193010766","","","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101199","15.431","0.005","15.83","0.005","3.951","0.002","90","","91.06","0.1","90","","965","0.7","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C6 H2 N3 O7 Tl -","- C6 H2 N3 O7 Tl -","- C24 H8 N12 O28 Tl4 -","4","1","MU0313","Botoshansky, M.; Herbstein, F. H.; Kapon, M.","Crystallography of metal picrates. II. Crystal structure of yellow thallium(I) picrate; relations among various M(I) picrate phases","Acta Crystallographica Section B","1994","50","5","589","596","10.1107/S0108768194001746","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101208","8.232","0.002","11.277","0.001","15.448","0.003","90","","105.15","0.02","90","","1384.2","0.5","188","","188","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","5-acetyl-1,1,2,3,3-pentamethylindan","","- C16 H22 O -","- C16 H22 O -","- C64 H88 O4 -","4","1","SH0044","De Ridder, Dirk J.A.^3^; Čapková, Pavla^4^; Hatjisymeon, Kostas^5^; Fraanje, Jan; Schenk, Henk","Crystal studies of musk compounds. VIII. Structures of five homologues of musk phantolid","Acta Crystallographica Section B","1994","50","5","607","616","10.1107/S0108768194001497","","","1.5418","CuKα","","0.056","0.056","","0.072","0.072","","","","0.203","0.203","0.203","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101277","5.971","0.002","7.411","0.003","13.731","0.002","90","","99.13","0.01","90","","599.9","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C14 H12 Cl N -","- C54 H60 Cl4 N4 -","- C108 H120 Cl8 N8 -","2","0.5","BK0015","Haller, K. J.; Rae, A. D.; Heerdegen, A. P.; Hockless, D. C. R.; Welberry, T. R.","The fourfold disordered structures of <i>p</i>-chloro-<i>N</i>-(<i>p</i>-methylbenzylidene)aniline and <i>p</i>-methyl-<i>N</i>-(<i>p</i>-chlorobenzylidene)aniline","Acta Crystallographica Section B","1995","51","2","187","197","10.1107/S0108768194010748","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101406","14.984","0.005","4.802","0.002","10.26","0.003","90","","111.52","0.01","90","","686.8","0.4","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","","","","","- C18 H18 -","- C36 H36 -","- C72 H72 -","2","0.5","HA0138","Gorter, S.; Rutten-Keulemans, E.; Krever, M.; Romers, C.; Cruickshank, D. W. J.","[18]-Annulene, C~18~H~18~, structure, disorder and Hückel's 4<i>n</i> + 2 rule","Acta Crystallographica Section B","1995","51","6","1036","1045","10.1107/S0108768195004927","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101411","9.9069","0.0013","4.737","0.002","16.382","0.002","90","","104.681","0.011","90","","743.7","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","HE0119","Harding, M. M.; Kariuki, B. M.; Williams, L.; Anwar, J.","<small>DL</small>-Norleucine: redetermination of structure and observations with synchrotron radiation Laue diffraction on heating towards transformation","Acta Crystallographica Section B","1995","51","6","1059","1062","10.1107/S0108768195006331","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101416","11.793","0.004","7.92","0.001","18.366","0.002","90","","100.01","0.02","90","","1689.3","0.6","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C20 H18 N4 O -","- C20 H18 N4 O -","- C80 H72 N16 O4 -","4","1","NA0069","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intermolecular N‒H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups","Acta Crystallographica Section B","1995","51","6","1004","1015","10.1107/S0108768195004009","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101448","13.922","0.006","6.951","0.003","30.173","0.007","90","","93.04","0.03","90","","2915.8","1.9","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C16 H16 Cl N O3 -","- C16 H16 Cl N O3 -","- C128 H128 Cl8 N8 O24 -","8","2","KA0027","Böcskei, Zs.; Simon, K.; Németh, V.; Ágai, B.; Toke, L.","Interesting conformational and substitutional disorder in the crystal structures of three homologous crowns","Acta Crystallographica Section B","1996","52","1","194","200","10.1107/S0108768195008135","","","1.5418","CuKα","","0.3347","0.0748","","0.342","0.1907","","","","0.97","1.308","1.308","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101497","16.607","0.002","11.427","0.003","9.668","0.002","90","0.02","114.38","0.02","90","0.02","1671.1","0.6","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H21 N3 -","- C19 H21 N3 -","- C76 H84 N12 -","4","1","KA0029","André, C.; Luger, P.; Lotz, S.; Fehlhammer, W.-P.","The crystal packing modes of three sterically overcrowded imidazole derivatives","Acta Crystallographica Section B","1996","52","2","369","375","10.1107/S0108768195011293","","","1.5418","CuKα","","","0.038","","","0.037","","","","","4.52","4.52","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101498","16.393","0.007","9.235","0.008","11.176","0.012","90","","128.01","0.07","90","","1333","2","293","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H36 Cl2 N2 Pd2 S4 -","- C18 H36 Cl2 N2 Pd2 S4 -","- C36 H72 Cl4 N4 Pd4 S8 -","2","0.5","LI0206","Nyburg, S. C.","Structure of a twin initially solved from a partial data set: di-μ-chlorobis-[di-<i>n</i>-butyldithiocarbamato]dipalladium","Acta Crystallographica Section B","1996","52","2","328","331","10.1107/S0108768195012808","","","0.7107","Mo","","","0.053","","","0.06","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101534","9.014","0.002","14.917","0.002","12.412","0.002","90","","108.84","0.01","90","","1579.5","0.5","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1,2,3,4,10,14b-Hexahydro-2-methyldibenzo[c,f]pyrizino [1,2-a]azepine hydrochloride (Mianserin.HCl)","","- C18 H21 Cl N2 -","- C18 H21 Cl N2 -","- C72 H84 Cl4 N8 -","4","1","NA0073","Dalpiaz, A.; Ferretti, V.; Gilli, P.; Bertolasi, V.","Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT~1~, 5-HT~2~ and 5-HT~3~ receptor subtypes","Acta Crystallographica Section B","1996","52","3","509","518","10.1107/S0108768195014765","","","0.71069","MoKα","","","0.063","","","0.051","","","","","1.61","1.61","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101557","9.191","","14.632","","7.738","","90","","101.32","","90","","1020.38","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C9 H10 Cl2 N2 O -","- C9 H10 Cl2 N2 O -","- C36 H40 Cl8 N8 O4 -","4","1","DU0403","Pfefer, G.; Boistelle, R.","Experimental and theoretical morphologies of diuron, <i>N</i>'-(3,4-dichlorophenyl)-<i>N</i>,<i>N</i>-dimethylurea","Acta Crystallographica, Section B: Structural Science","1996","52","4","662","667","10.1107/S010876819600047X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","209631","2020-10-21","18:00:00",""
"2101563","9.36","0.001","5.167","0.004","17.751","0.004","90","","93.75","0.01","90","","856.7","0.7","100","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C10 H8 F N O2 -","- C10 H8 F N O2 -","- C40 H32 F4 N4 O8 -","4","1","SE0185","Antolić, A.; Kojić-Prodić, B.; Tomić, S.; Nigović, B.; Magnus, V.; Cohen, J. D.","Structural studies on monofluorinated derivatives of the phytohormone indole-3-acetic acid (auxin)","Acta Crystallographica Section B","1996","52","4","651","661","10.1107/S0108768195016302","","","0.71073","MoKα","","","0.048","","","0.048","","","","","0.8","0.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101564","9.935","0.005","5.0059","0.0004","17.61","0.001","90","","102.13","0.01","90","","856.3","0.4","100","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C10 H8 F N O2 -","- C10 H8 F N O2 -","- C40 H32 F4 N4 O8 -","4","1","SE0185","Antolić, A.; Kojić-Prodić, B.; Tomić, S.; Nigović, B.; Magnus, V.; Cohen, J. D.","Structural studies on monofluorinated derivatives of the phytohormone indole-3-acetic acid (auxin)","Acta Crystallographica Section B","1996","52","4","651","661","10.1107/S0108768195016302","","","1.5418","CuKα","","","0.035","","","0.04","","","","","0.39","0.39","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101633","10.228","0.003","32.818","0.003","15.529","0.003","90","","99.79","0.02","90","","5136.6","1.9","294","","294.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C32.75 H28.25 Cl0.75 N O -","- C33.8 H25 Cl0.25 N O -","- C270.4 H200 Cl2 N8 O8 -","8","2","FG0004","Jones, R.; Rattray, A. G. M.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.","Structures and photochemistry of dibenzobarrelene monoamides","Acta Crystallographica Section B","1996","52","6","1007","1013","10.1107/S0108768196009056","","","1.5418","CuKα","","0.1737","0.0471","","0.0445","0.0411","","","","","2.41","2.41","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101887","12.184","0.0011","5.7888","0.0014","15.2282","0.0012","90","","112.44","0.007","90","","992.7","0.3","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(E)-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","1.54184","Cu_Kα","","0.108","0.0953","","0.2095","0.1917","","","","1.185","1.214","1.214","","","","","has coordinates,has disorder","277834","2022-09-14","16:39:44",""
"2101888","12.184","0.0011","5.7888","0.0014","15.2282","0.0012","90","","112.44","0.007","90","","992.7","0.3","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(E)-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","1.54184","Cu_Kα","","0.1105","0.0974","","0.2183","0.2007","","","","1.192","1.23","1.23","","","","","has coordinates,has disorder","277834","2022-09-14","16:39:44",""
"2101889","12.034","0.002","5.695","0.002","14.979","0.002","90","","112.436","0.011","90","","948.9","0.4","82","","82","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(E)-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","0.71073","Mo_Kα","","0.0985","0.0545","","0.16","0.137","","","","1.05","1.086","1.086","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101896","11.9762","0.0012","4.8462","0.0005","9.7193","0.001","90","","89.654","0.009","90","","564.09","0.1","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(E)-4,4'-dimethylazobenzene","","- C14 H14 N2 -","- C14 H14 N2 -","- C28 H28 N4 -","2","0.5","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","0.71073","Mo_Kα","","0.11","0.0665","","0.1971","0.1678","","","","1.047","1.14","1.14","","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2101897","11.819","0.002","4.781","0.002","9.602","0.002","90","","89.87","0.02","90","","542.6","0.3","90","","90","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(E)-4,4'-dimethylazobenzene","","- C14 H14 N2 -","- C14 H14 N2 -","- C28 H28 N4 -","2","0.5","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","0.71073","Mo_Kα","","0.0791","0.057","","0.1637","0.1494","","","","1.112","1.169","1.169","","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2101911","7.931","0.001","23.158","0.005","6.856","0.002","90","","113.44","0.02","90","","1155.3","0.5","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C10 H44 N4 O14 P2 -","- C10 H44 N4 O14 P2 -","- C20 H88 N8 O28 P4 -","2","0.5","BK0042","Cohen, A. E.; Craven, B. M.; Klooster, W. T.","Structure and Thermal Vibrations of Spermine Phosphate Hexahydrate from Neutron Diffraction Data at 125K","Acta Crystallographica Section B","1997","53","5","787","794","10.1107/S0108768197005892","","neutron","1.16395","neutron","","","","","","","","","","","","","","","","","has coordinates","190615","2020-10-21","18:00:00",""
"2101921","11.8097","0.0009","8.2776","0.0007","12.003","0.001","90","","94.951","0.004","90","","1168.99","0.17","20","","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","5-ethynyl-5H-dibenzo[a,d]cyclohepten-5-ol","","- C17 H12 O -","- C17 H12 O -","- C68 H48 O4 -","4","1","KA0035","Steiner, T.; Mason, S. A.; Tamm, M.","Neutron Diffraction Study of Aromatic Hydrogen Bonds: 5-Ethynyl-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-ol at 20K","Acta Crystallographica Section B","1997","53","5","843","848","10.1107/S0108768197006174","","neutron","1.3135","thermalneutron","","0.0703","0.0483","","0.1207","0.1038","","","","1.065","1.113","1.113","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101932","10.443","0.005","7.572","0.004","5.824","0.004","90","","120.95","0.08","90","","395","0.5","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C10 H10 Fe -","- C10 H10 Fe -","- C20 H20 Fe2 -","2","0.5","CR0517","Brock, C. P.; Fu, Y.","Rigid-Body Disorder Models for the High-Temperature Phase of Ferrocene","Acta Crystallographica Section B","1997","53","6","928","938","10.1107/S0108768197005132","","neutron","1.0399","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101933","10.53","0.008","7.604","0.005","5.921","0.004","90","","121.05","0.08","90","","406.2","0.7","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C10 H10 Fe -","- C10 H10 Fe -","- C20 H20 Fe2 -","2","0.5","CR0517","Brock, C. P.; Fu, Y.","Rigid-Body Disorder Models for the High-Temperature Phase of Ferrocene","Acta Crystallographica Section B","1997","53","6","928","938","10.1107/S0108768197005132","","neutron","1.0399","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101934","10.443","0.005","7.572","0.004","5.824","0.004","90","","120.95","0.08","90","","395","0.5","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C10 H10 Fe -","- C20 H20 Fe -","- C40 H40 Fe2 -","2","0.5","CR0517","Brock, C. P.; Fu, Y.","Rigid-Body Disorder Models for the High-Temperature Phase of Ferrocene","Acta Crystallographica Section B","1997","53","6","928","938","10.1107/S0108768197005132","","neutron","1.0399","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101935","10.53","0.008","7.604","0.005","5.921","0.004","90","","121.05","0.08","90","","406.2","0.7","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C10 H10 Fe -","- C20 H20 Fe -","- C40 H40 Fe2 -","2","0.5","CR0517","Brock, C. P.; Fu, Y.","Rigid-Body Disorder Models for the High-Temperature Phase of Ferrocene","Acta Crystallographica Section B","1997","53","6","928","938","10.1107/S0108768197005132","","neutron","1.0399","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101936","10.443","0.005","7.572","0.004","5.824","0.004","90","","120.95","0.08","90","","395","0.5","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C10 H10 Fe -","- C30 H30 Fe -","- C60 H60 Fe2 -","2","0.5","CR0517","Brock, C. P.; Fu, Y.","Rigid-Body Disorder Models for the High-Temperature Phase of Ferrocene","Acta Crystallographica Section B","1997","53","6","928","938","10.1107/S0108768197005132","","neutron","1.0399","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101937","10.53","0.008","7.604","0.005","5.921","0.004","90","","121.05","0.08","90","","406.2","0.7","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C10 H10 Fe -","- C30 H30 Fe -","- C60 H60 Fe2 -","2","0.5","CR0517","Brock, C. P.; Fu, Y.","Rigid-Body Disorder Models for the High-Temperature Phase of Ferrocene","Acta Crystallographica Section B","1997","53","6","928","938","10.1107/S0108768197005132","","neutron","1.0399","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101938","10.8834","0.0012","11.2355","0.001","14.743","0.002","90","","104.295","0.008","90","","1747","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1-(1-naphthyl)-4-methylpiperazine maleate","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","HA0157","Verdonk, M. L.; Voogd, J. W.; Kanters, J. A.; Kroon, J.; den Besten, R.; Brandsma, L.; Leysen, D.; Kelder, J.","Structure and Serotonin 5-HT~2C~ Receptor Activity of <i>ortho</i>- and <i>meta</i>-Substituted Phenylpiperazines","Acta Crystallographica Section B","1997","53","6","976","983","10.1107/S0108768197009142","","","0.71073","MoKα","","0.1988","0.0568","","0.1301","0.1029","","","","0.83","1.158","1.158","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101985","7.51","0.05","21.16","0.05","7.66","0.05","90","","92.043","0.01","90","","1216","12","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","S-(2-Nitrophenyl)benzenecarbothiolate","","- C13 H9 N O3 S -","- C13 H9 N O3 S -","- C52 H36 N4 O12 S4 -","4","1","NA0092","Low, John N.; Storey, Emily J.; McCarron, Mary; Wardell, James L.; Ferguson, George; Glidewell, Christopher","Conformational preferences in 2-nitrophenylthiolates: interplay between intra- and intermolecular forces; structures of (<i>E</i>)-1-(4-methyl-2-nitrobenzenethiolato)-2-phenylethene, <i>S</i>-(2-nitrophenyl)benzenecarbothiolate and 1-(2-nitrophenylthio)-2,5-pyrrolidinedione","Acta Crystallographica Section B","2000","56","1","58","67","10.1107/S0108768199009702","","","0.71073","MoKα","","0.0849","0.0441","","","","0.1522","","","","","","0.917","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101986","7.918","0.005","13.132","0.005","10.983","0.005","90","","110.7","0.3","90","","1068","2","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","1-(2-Nitrophenylthio)-2,5-pyrrolidinedione","","- C10 H8 N2 O4 S -","- C10 H8 N2 O4 S -","- C40 H32 N8 O16 S4 -","4","1","NA0092","Low, John N.; Storey, Emily J.; McCarron, Mary; Wardell, James L.; Ferguson, George; Glidewell, Christopher","Conformational preferences in 2-nitrophenylthiolates: interplay between intra- and intermolecular forces; structures of (<i>E</i>)-1-(4-methyl-2-nitrobenzenethiolato)-2-phenylethene, <i>S</i>-(2-nitrophenyl)benzenecarbothiolate and 1-(2-nitrophenylthio)-2,5-pyrrolidinedione","Acta Crystallographica Section B","2000","56","1","58","67","10.1107/S0108768199009702","","","0.71073","MoKα","","0.0658","0.0352","","","","0.1215","","","","","","0.858","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102084","9.0964","0.0009","12.2225","0.0011","6.3447","0.0007","90","","106.295","0.007","90","","677.07","0.12","9.5","0.2","9.5","0.2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Ammonium copper Tutton salt","","","- Cu H20 N2 O14 S2 -","- Cu H20 N2 O14 S2 -","- Cu2 H40 N4 O28 S4 -","2","0.5","TA0006","Figgis, Brian N.; Sobolev, Alexandre N.; Simmons, Charles J.; Hitchman, Michael A.; Stratemeier, Horst; Riley, Mark J.","Bonding effects and the crystal structures of (NH~4~)~2~[Cu(H~2~O)~6~](SO~4~)~2~ and its H~2~^18^O substituted form at 9.5K","Acta Crystallographica Section B","2000","56","3","438","443","10.1107/S0108768100000963","","","0.71073","MoKα","","0.0226","0.0213","","","","0.0597","","","","","","1.122","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2102085","9.0921","0.0006","12.2195","0.0008","6.3442","0.0005","90","","106.277","0.005","90","","676.59","0.08","9.5","0.2","9.5","0.2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Ammonium copper Tutton salt (18-O water)","","","- Cu H20 N2 O14 S2 -","- Cu H20 N2 O14 S2 -","- Cu2 H40 N4 O28 S4 -","2","0.5","TA0006","Figgis, Brian N.; Sobolev, Alexandre N.; Simmons, Charles J.; Hitchman, Michael A.; Stratemeier, Horst; Riley, Mark J.","Bonding effects and the crystal structures of (NH~4~)~2~[Cu(H~2~O)~6~](SO~4~)~2~ and its H~2~^18^O substituted form at 9.5K","Acta Crystallographica Section B","2000","56","3","438","443","10.1107/S0108768100000963","","","0.71073","MoKα","","0.0208","0.0199","","","","0.054","","","","","","1.184","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2102109","16.047","0.002","5.084","0.002","9.584","0.002","90","","94.06","0.01","90","","779.9","0.4","298","1","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H9 N O -","- C9 H9 N O -","- C36 H36 N4 O4 -","4","1","OA0024","Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru","Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides","Acta Crystallographica Section B","2000","56","4","682","689","10.1107/S0108768100002329","","","0.71073","MoKα","","","0.04","","","","0.121","","","","","","1.02","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102110","16.191","0.002","5.079","0.002","9.509","0.002","90","","93.37","0.02","90","","780.6","0.4","298","1","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H9 N O -","- C9 H9 N O -","- C36 H36 N4 O4 -","4","1","OA0024","Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru","Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides","Acta Crystallographica Section B","2000","56","4","682","689","10.1107/S0108768100002329","","","0.71073","MoKα","","","0.051","","","","0.16","","","","","","1.05","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2102167","11.929","0.0002","11.7639","0.0002","9.0612","0.0002","90","","103.95","0.001","90","","1234.07","0.04","150","2","150","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","5H, 10H-dithiolo[2,3-b][2,5]benzodithiocine-2-thione [low temperature (150 K) P monoclinic form]","","- C11 H8 S5 -","- C11 H8 S5 -","- C44 H32 S20 -","4","1","BM0027","Chohan, Zahid H.; Harrison, William T. A.; Howie, R. Alan; Milne, Bruce F.; Wardell, James L.","Crystallographic and molecular mechanics investigation of an order‒disorder transition and dimorphism in 5<i>H</i>,10<i>H</i>-dithiolo[2,3-<i>b</i>]-2,5-benzodithiocine-2-thione","Acta Crystallographica Section B","2000","56","6","1011","1017","10.1107/S0108768100010636","","","0.71073","MoKα","","0.0328","0.0278","","","0.0687","0.0712","","","","","","1.051","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102601","5.9663","0.0005","7.3989","0.0007","13.7221","0.0012","90","","99.12","0.002","90","","598.09","0.09","300","","300","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N-(4-chlorobenzylidene)-4-methylaniline","","- C14 H12 Cl N -","- C14 H12 Cl N -","- C28 H24 Cl2 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0781","0.0599","","","0.1746","0.1948","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102602","5.9174","0.0005","7.2879","0.0006","13.7049","0.00011","90","","99.233","0.002","90","","583.37","0.07","200","","200","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N-(4-chlorobenzylidene)-4-methylaniline","","- C14 H12 Cl N -","- C14 H12 Cl N -","- C28 H24 Cl2 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0604","0.053","","","0.1412","0.1477","","","","","","1.121","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102603","5.8827","0.0006","7.1953","0.0007","13.6919","0.0014","90","","99.385","0.002","90","","571.79","0.1","90","","90","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N-(4-chlorobenzylidene)-4-methylaniline","","- C14 H12 Cl N -","- C14 H12 Cl N -","- C28 H24 Cl2 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0628","0.0591","","","0.1378","0.1414","","","","","","0.602","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102679","9.646","0.006","7.62","0.004","4.839","0.003","90","","90.14","0.05","90","","355.7","0.4","293","","293","1","","","","","","","datolite-hedenbergite scarn deposit, Tetyche, Sikhote-Alin mountains","5","P 1 21/a 1","-P 2yab","14","","","Datolite","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","AV5071","Ivanov, Yury; Belokoneva, Elena","Multipole refinement and electron density analysis in natural borosilicate datolite using X-ray diffraction data","Acta Crystallographica Section B","2007","63","1","49","55","10.1107/S0108768106041681","","","0.71069","MoKα","","","0.0138","","","","0.0194","","","","","","1.04","","","","has coordinates","282548","2023-04-10","20:38:56",""
"2102939","8.4716","0.0018","9.007","0.002","14.784","0.003","90","","100.881","0.004","90","","1107.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","bis(pentylammonium)tetraiodoplumbate(II)","","- C10 H28 I4 N2 Pb -","- C10 H28 I4 N2 Pb -","- C20 H56 I8 N4 Pb2 -","2","0.5","BS5044","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6","Acta Crystallographica Section B","2007","63","5","735","747","10.1107/S0108768107031758","","","0.71073","MoKα","","0.044","0.0376","","","0.1025","0.1051","","","","","","1.15","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102940","8.6716","0.0007","8.9297","0.0006","14.8805","0.0013","90","","100.212","0.002","90","","1134.01","0.16","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","bis(pentylammonium)tetraiodoplumbate(II)","","- C10 H28 I4 N2 Pb -","- C10 H28 I4 N2 Pb -","- C20 H56 I8 N4 Pb2 -","2","0.5","BS5044","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6","Acta Crystallographica Section B","2007","63","5","735","747","10.1107/S0108768107031758","","","0.71073","MoKα","","0.0562","0.0441","","","0.1111","0.1212","","","","","","1.069","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102942","8.643","0.004","8.845","0.004","16.052","0.007","90","","91.985","0.008","90","","1226.4","1","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","bis(hexylammonium)tetraiodoplumbate(II)","","- C12 H32 I4 N2 Pb -","- C12 H32 I4 N2 Pb -","- C24 H64 I8 N4 Pb2 -","2","0.5","BS5044","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6","Acta Crystallographica Section B","2007","63","5","735","747","10.1107/S0108768107031758","","","0.71073","MoKα","","0.0695","0.0589","","","0.139","0.1432","","","","","","1.206","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103298","23.818","0.003","9.451","0.0003","8.8553","0.0018","90","","94.842","0.013","90","","1986.2","0.5","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","[(3-chloropyridine) (2-cyanoethyl) cobaloxime] [(2-cyanoethyl)(3-bromopyridine) cobaloxime]","","- C16 H22 Br0.39 Cl0.61 Co N6 O4 -","- C16 H22 Br0.39 Cl0.61 Co N6 O4 -","- C64 H88 Br1.56 Cl2.44 Co4 N24 O16 -","4","1","TA0008","Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji","Modified photoreactivity due to mixed crystal formation. I. Three mixed crystals between isostructural cobaloxime complexes","Acta Crystallographica Section B","2002","58","2","227","232","10.1107/S0108768101019346","","","0.71073","MoKα","","0.0681","0.0555","","","0.1413","0.1494","","","","","","1.136","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103299","23.751","0.004","9.468","0.0012","8.8453","0.0014","90","","94.672","0.013","90","","1982.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","[(3-chloropyridine) (2-cyanoethyl) cobaloxime] [(2-cyanoethyl)(3-methylpyridine) cobaloxime]","","- C16.565 H23.695 Cl0.435 Co N6 O4 -","- C16.565 H23.695 Cl0.435 Co N6 O4 -","- C66.26 H94.78 Cl1.74 Co4 N24 O16 -","4","1","TA0008","Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji","Modified photoreactivity due to mixed crystal formation. I. Three mixed crystals between isostructural cobaloxime complexes","Acta Crystallographica Section B","2002","58","2","227","232","10.1107/S0108768101019346","","","0.71073","MoKα","","0.0403","0.0299","","","0.0855","0.0906","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2103300","23.7797","0.0011","9.5032","0.0005","8.8569","0.0004","90","","94.479","0.001","90","","1995.4","0.17","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","[(3-chloropyridine) (2-cyanoethyl) cobaloxime] [(2-cyanoethyl)(3-methylpyridine) cobaloxime]","","- C16.518 H19.572 Cl0.476 Co N6 O4 -","- C16.524 H19.572 Cl0.476 Co N6 O4 -","- C66.096 H78.288 Cl1.904 Co4 N24 O16 -","4","1","TA0008","Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji","Modified photoreactivity due to mixed crystal formation. I. Three mixed crystals between isostructural cobaloxime complexes","Acta Crystallographica Section B","2002","58","2","227","232","10.1107/S0108768101019346","","","0.71069","MoKα","","0.0635","0.049","","","0.1318","0.1391","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2103301","23.82","0.02","9.52","0.01","8.822","0.005","90","","94.73","0.06","90","","1994","3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","[(3-bromopyridine) (2-cyanoethyl) cobaloxime] [(2-cyanoethyl)(3-methylpyridine) cobaloxime]","","- C16.55 H23.64 Br0.45 Co N6 O4 -","- C16.546 H23.638 Br0.454 Co N6 O4 -","- C66.184 H94.552 Br1.816 Co4 N24 O16 -","4","1","TA0008","Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji","Modified photoreactivity due to mixed crystal formation. I. Three mixed crystals between isostructural cobaloxime complexes","Acta Crystallographica Section B","2002","58","2","227","232","10.1107/S0108768101019346","","","0.71069","MoKα","","0.078","0.057","","","0.161","0.1765","","","","","","1.095","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2103423","23.522","","5.459","","8.781","","90","","96.66","","90","","1119.93","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,2'-Bi-1H-imidazolium dipicrate","","- C18 H12 N10 O14 -","- C18 N10 O14 -","- C36 N20 O28 -","2","0.5","BM0053","Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe","Some errors from the crystallographic literature, some amplifications and a questionable result","Acta Crystallographica Section B","2002","58","5","884","892","10.1107/S0108768102010261","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103424","29.422","","12.304","","5.071","","90","","94.06","","90","","1831.14","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","{tris(2,2'-bi-1H-imidazole) bis(2-(2-1H-imidazolyl)-1H-imidazolium) bis(iodide)","","- C30 H32 I2 N20 -","- C30 I2 N20 -","- C60 I4 N40 -","2","0.5","BM0053","Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe","Some errors from the crystallographic literature, some amplifications and a questionable result","Acta Crystallographica Section B","2002","58","5","884","892","10.1107/S0108768102010261","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103680","7.1658","0.0012","14.105","0.002","7.5358","0.0014","90","","114.324","0.012","90","","694.1","0.2","296","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","diaquadinitratodipyrimidinecopper(II)","diaquadinitratodipyrimidinecopper(II)","","- C8 H12 Cu N6 O8 -","- C8 H12 Cu N6 O8 -","- C16 H24 Cu2 N12 O16 -","2","0.5","OA0034","Yasui, Masanori; Ishikawa, Yoshimitsu; Akiyama, Naoya; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko","Dipyrimidine‒copper(II) dinitrate complexes showing magnetic interactions","Acta Crystallographica Section B","2001","57","3","288","295","10.1107/S0108768101002737","","","0.71073","MoKα","","0.0603","0.0517","","","","0.148","","","","","","1.079","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103735","11.493","0.003","7.685","0.001","18.15","0.003","90","","91.49","0.02","90","","1602.5","0.5","213","","213","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","potassium [2.2]paracyclophane-4-sulfonate","","- C16 H19 K O5 S -","- C16 H19 K O5 S -","- C64 H76 K4 O20 S4 -","4","1","AN0584","De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk","Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides","Acta Crystallographica Section B","2001","57","6","780","790","10.1107/S0108768101013817","","","1.5418","CuKα","","0.086","0.086","","0.087","","0.087","","","1.362","","","1.362","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2103803","15.42","0.03","11.66","0.02","7.21","0.01","90","","97.31","0.04","90","","1286","4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Pyridinium hexachloro-antimony(v)","","- C5 H6 Cl6 N Sb -","- C5 Cl6 N Sb -","- C20 Cl24 N4 Sb4 -","4","1","AN0613","Clemente, Dore Augusto; Marzotto, Armando","22 Space-group changes","Acta Crystallographica Section B","2003","59","1","43","50","10.1107/S0108768102022668","","","0.71073","MoKα","","0.0614","0.0613","","","0.1668","0.1668","","","","","","1.345","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103921","34.1916","0.0002","5.5346","0.0001","14.0289","0.0001","90","","113.998","0.001","90","","2425.3","0.05","295","","295","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Lithium benzilate hemihydrate","","","- C14 H12 Li O3.5 -","- C14 H12 Li O3.5 -","- C112 H96 Li8 O28 -","8","2","WS0002","Mora, Asiloé J.; Fitch, Andrew N.; Ramirez, Belkis M.; Delgado, Gerzon E.; Brunelli, Michela; Wright, Jonathan","Structure of lithium benzilate hemihydrate solved by simulated annealing and difference Fourier synthesis from powder data","Acta Crystallographica Section B","2003","59","3","378","383","10.1107/S0108768103004634","","","0.80303","synchrotron","","","","","","","","","","","","","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2104397","8.425","0.0002","35.973","0.0008","9.0586","0.0002","90","","91.942","0.002","90","","2743.84","0.11","80","2","80","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C24 H18 Cl4 F6 Fe N4 O2 P -","- C24 H18 Cl4 F6 Fe N4 O2 P -","- C96 H72 Cl16 F24 Fe4 N16 O8 P4 -","4","1","OG5037","Collet, Eric; Boillot, Marie-Laure; Hebert, Johan; Moisan, Nicolas; Servol, Marina; Lorenc, Maciej; Toupet, Loïc; Buron-Le Cointe, Marylise; Tissot, Antoine; Sainton, Joelle","Polymorphism in the spin-crossover ferric complexes [(TPA)Fe^III^(TCC)]PF~6~","Acta Crystallographica Section B","2009","65","4","474","480","10.1107/S0108768109021508","","","0.71069","MoKα","","0.067","0.0537","","","0.104","0.1093","","","","","","1.196","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104399","8.6788","0.0006","37.001","0.002","9.2881","0.0005","90","","91.255","0.002","90","","2981.9","0.3","400","1","400","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C24 H18 Cl4 F6 Fe N4 O2 P -","- C24 H18 Cl4 F6 Fe N4 O2 P -","- C96 H72 Cl16 F24 Fe4 N16 O8 P4 -","4","1","OG5037","Collet, Eric; Boillot, Marie-Laure; Hebert, Johan; Moisan, Nicolas; Servol, Marina; Lorenc, Maciej; Toupet, Loïc; Buron-Le Cointe, Marylise; Tissot, Antoine; Sainton, Joelle","Polymorphism in the spin-crossover ferric complexes [(TPA)Fe^III^(TCC)]PF~6~","Acta Crystallographica Section B","2009","65","4","474","480","10.1107/S0108768109021508","","","0.71069","MoKα","","0.1882","0.0463","","","0.0998","0.1236","","","","","","0.712","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105131","9.473","","11.977","","3.2377","","90","","98.71","","90","","363.107","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1457","0.0868","","","0.1273","0.1312","","","","","","5.69","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105132","9.3887","","11.968","","3.196","","90","","97.93","","90","","355.681","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1295","0.0754","","","0.0866","0.0942","","","","","","4.61","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105133","9.3174","","11.9774","","3.1597","","90","","97.1782","","90","","349.853","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1242","0.0638","","","0.0674","0.0765","","","","","","3.32","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105134","9.2363","","11.9873","","3.1205","","90","","96.1667","","90","","343.497","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.117","0.0662","","","0.0714","0.0795","","","","","","3.77","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105135","9.1834","","12.0234","","3.0886","","90","","95.7294","","90","","339.326","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1024","0.074","","","0.0899","0.0912","","","","","","4.36","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105136","9.1142","","12.0534","","3.0574","","90","","95.0321","","90","","334.583","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1291","0.0796","","","0.0859","0.0942","","","","","","4.6","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105137","12.699","","9.039","","2.9943","","90","","107.18","","90","","328.369","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1917","0.1251","","","0.167","0.1713","","","","","","7.7","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105138","12.6665","","9.0153","","2.9827","","90","","107.13","","90","","325.492","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1581","0.0919","","","0.0928","0.1007","","","","","","4.41","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105139","12.6235","","8.9926","","2.9704","","90","","107.076","","90","","322.33","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.085","0.0677","","","0.079","0.0808","","","","","","4.55","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105140","12.582","","8.965","","2.9572","","90","","107.05","","90","","318.905","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1469","0.0988","","","0.126","0.1298","","","","","","6.16","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105141","9.2295","","12.0064","","3.1155","","90","","96.3516","","90","","343.119","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1226","0.0678","","","0.0769","0.0877","","","","","","4.2","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105439","11.3416","0.0003","9.0552","0.0003","11.803","0.0004","90","","109.413","0.002","90","","1143.26","0.06","295","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C7 H13 F3 N3 O2 P -","- C7 H13 F3 N3 O2 P -","- C28 H52 F12 N12 O8 P4 -","4","1","DK5007","Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid","Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database","Acta Crystallographica Section B","2013","69","2","184","194","10.1107/S0108768113002656","","","0.71073","MoKα","","0.0423","0.0359","","","0.0888","0.0936","","","","","","1.034","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105516","8.2121","0.0005","5.3401","0.0003","14.6014","0.0009","90","","99.962","0.007","90","","630.67","0.07","294","1","294","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4,4'-Biphenol‒1,2-diaminoethane (1/1)","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C28 H36 N4 O4 -","2","0.5","AB0381","Ferguson, G.; Glidewell, C.; Gregson, R. M.; Meehan, P. R.; Patterson, I. L. J.","Formation of One-Dimensional Chains, Two-Dimensional Bilayers and a Three-Dimensional Diamondoid Architecture in Hydrogen-Bonded Adducts of 4,4'-Biphenol with 1,4-Diazabicyclo[2.2.2]octane and 1,2-Diaminoethane","Acta Crystallographica Section B","1998","54","2","151","161","10.1107/S0108768197010148","","","0.7107","MoKα","","0.1035","0.0478","","0.1446","0.1297","","","","1.017","1.266","1.266","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105530","13.667","0.004","18.647","0.011","20.188","0.006","90","","90.72","0.02","90","","5144","4","243","2","243","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C58 H64 N2 O12 -","- C57.97 H44 N2 O11.99 -","- C231.88 H176 N8 O47.96 -","4","1","AN0547","Thuéry, Pierre; Nierlich, Martine; Calemczuk, Roberto; Saadioui, Mohamed; Asfari, Zouhair; Vicens, Jacques","Three conformational polymorphs and order‒disorder phase transition in a calix[4]arene bis(crown)","Acta Crystallographica Section B","1999","55","1","95","103","10.1107/S0108768198009252","","","0.71073","MoKα","","0.2004","0.1273","","0.385","0.3155","","","","1.105","1.363","1.363","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105531","20.341","0.006","11.709","0.003","23.875","0.008","90","","112.39","0.02","90","","5258","3","273","2","273","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C58 H64 N2 O12 -","- C58.06 H42 N2 O12.04 -","- C232.24 H168 N8 O48.16 -","4","1","AN0547","Thuéry, Pierre; Nierlich, Martine; Calemczuk, Roberto; Saadioui, Mohamed; Asfari, Zouhair; Vicens, Jacques","Three conformational polymorphs and order‒disorder phase transition in a calix[4]arene bis(crown)","Acta Crystallographica Section B","1999","55","1","95","103","10.1107/S0108768198009252","","","0.71073","MoKα","","0.1669","0.1074","","0.3669","0.28","","","","1.073","1.227","1.227","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105540","14.724","0.004","12.664","0.003","13.97","0.003","90","","115.38","0.03","90","","2353.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","N-anilinophthalimide (monoclinic)","1H-Isoindole-1,3-(2H)-dione, 2-aminophenyl (please check)","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C112 H80 N16 O16 -","8","2","BK0046","Botoshansky, M.; Ellern, A.; Gasper, N.; Henck, J.-O.; Herbstein, F. H.","Structural, Thermodynamic and Kinetic (Hysteresis) Aspects of the Enantiotropic First-Order Phase Transformations of <i>N</i>-Anilinophthalimide and <i>N</i>-(<i>N</i>'-Methylanilino)phthalimide","Acta Crystallographica Section B","1998","54","3","277","290","10.1107/S0108768197012135","","","0.7107","MoKα","","0.0906","0.064","","0.1968","0.1734","","","","1.068","1.159","1.159","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105584","6.848","0.003","7.54","0.004","11.111","0.005","90","","106.01","0.005","90","","551.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C5 H6 O S -","- C5 H6 O S -","- C20 H24 O4 S4 -","4","1","HA0185","Blake, Alexander J.; Clark, Bernard A. J.; Gierens, Hedi; Gould, Robert O.; Hunter, Gordon A.; McNab, Hamish; Morrow, Mark; Sommerville, Craig C.","Intramolecular and intermolecular geometry of thiophenes with oxygen-containing substituents","Acta Crystallographica Section B","1999","55","6","963","974","10.1107/S0108768199003547","","","0.71073","MoKα","","0.0506","0.0433","","","","0.123","","","","","","1.15","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105602","9.493","0.001","13.061","0.003","10.305","0.001","90","","105.51","0.01","90","","1231.2","0.3","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-Phenylamino-5,5-dimethyl-2-cyclohexen-1-one","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","NA0080","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intermolecular N-H···O Hydrogen Bonding Assisted by Resonance. II. Self Assembly of Hydrogen-Bonded Secondary Enaminones in Supramolecular Catemers","Acta Crystallographica Section B","1998","54","1","50","65","10.1107/S0108768197008677","","","0.71069","MoKα","","","0.04","","","","0.054","","","","","","2.14","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105610","7.075","0.002","13.332","0.002","15.03","0.002","90","","95.17","0.02","90","","1411.9","0.5","295","","295","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","3-(4-Chlorophenylamino)-5-phenyl-2-cyclopenten-1,4-dione","","- C17 H12 Cl N O2 -","- C17 H12 Cl N O2 -","- C68 H48 Cl4 N4 O8 -","4","1","NA0080","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intermolecular N-H···O Hydrogen Bonding Assisted by Resonance. II. Self Assembly of Hydrogen-Bonded Secondary Enaminones in Supramolecular Catemers","Acta Crystallographica Section B","1998","54","1","50","65","10.1107/S0108768197008677","","","0.71069","MoKα","","","0.042","","","","0.047","","","","","","1.6","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105684","5.451","0.005","19.493","0.009","5.541","0.002","90","","100.2","0.06","90","","579.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Glycine Silver Nitrate","Glycine Silver Nitrate","","- C4 H10 Ag2 N4 O10 -","- C2 H5 Ag N2 O5 -","- C8 H20 Ag4 N8 O20 -","4","1","BP5051","Choudhury, R. R.; Chitra, R.; Aliouane, N.; Schefer, J.","Ferroelectric glycine silver nitrate: a single-crystal neutron diffraction study","Acta Crystallographica Section B","2013","69","6","595","602","10.1107/S2052519213024573","","neutron","1.1761","neutron","","0.166","0.1583","","","0.4049","0.4062","","","","","","2.169","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105937","11.3416","0.0003","9.0552","0.0003","11.803","0.0004","90","","109.413","0.002","90","","1143.26","0.06","295","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C7 H13 F3 N3 O2 P -","- C7 H13 F3 N3 O2 P -","- C28 H52 F12 N12 O8 P4 -","4","1","DK5007","Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid","Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database","Acta Crystallographica Section B","2013","69","2","184","194","10.1107/S2052519213002650","","","0.71073","MoKα","","0.0423","0.0359","","","0.0888","0.0936","","","","","","1.034","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106110","9.334","","12.628","","6.37","","90","","106.31","","90","","720.614","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N H4)2 Ni (H2 O)6 (Se O4)2","","- H20 N2 Ni O14 Se2 -","- H20 N2 Ni O14 Se2 -","- H40 N4 Ni2 O28 Se4 -","2","0.5","","Montgomery, H.","Diammonium nickel diselenate hexahydrate","Acta Crystallographica B (24,1968-38,1982)","1980","36","","440","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106194","12.887","","27.28","","15.219","","90","","126.2","","90","","4317.52","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Ca3 (P O4)2","","- Ca3 O8 P2 -","- Ca3 O8 P2 -","- Ca72 O192 P48 -","24","6","","Mathew, M.; Brown, W.E.; Schroeder, L.W.; Dickens, B.","The crystal structure of alpha-Ca3 (P O4)2","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1325","1333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2106239","8.311","","15.221","","6.22","","90","","105.85","","90","","756.925","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Cr2 P6 O18","","- Cr2 O18 P6 -","- Cr2 O18 P6 -","- Cr4 O36 P12 -","2","0.5","","Bagieu-Beucher, M.; Guitel, J.C.","Structure cristalline de l'hexametaphosphate de chrome. Cr2 P6 O18","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2529","2533","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2106542","21.382","","7.286","","9.52","","90","","97.96","","90","","1468.82","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ba2 Cu (P O3)6","","- Ba2 Cu O18 P6 -","- Ba2 Cu O18 P6 -","- Ba8 Cu4 O72 P24 -","4","1","","Laugt, M.; Guitel, J.C.","Structure cristalline du polyphosphate de baryum-cuivre Ba2 Cu (P O3)6","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1148","1153","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106620","7.3914","0.0002","11.6712","0.001","12.5913","0.0009","90","","91.455","0.004","90","","1085.86","0.12","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H10 Cl N O6 -","- C8 H10 Cl N O6 -","- C32 H40 Cl4 N4 O24 -","4","1","XK5021","Direm, Amani; Altomare, Angela; Moliterni, Anna; Benali-Cherif, Nourredine","Intermolecular interactions of proton transfer compounds: synthesis, crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section B","2015","71","4","","","10.1107/S2052520615011300","","","0.71073","MoKα","","0.0776","0.0561","","","0.1342","0.1477","","","","","","1.031","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2106720","13.732","","6.933","","7.152","","90","","93.35","","90","","679.735","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Bi (P O3)3","","- Bi O9 P3 -","- Bi O9 P3 -","- Bi4 O36 P12 -","4","1","","Palkina, K.; Jost, K.H.","Crystal structure of bismuth polyphosphate, Bi(P O3)3","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2281","2285","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106736","9.269","","12.5405","","6.1357","","90","","106.8","","90","","682.761","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Co (N H4)2 (Be F4)2 (H2 O)6","","- Be2 Co F8 H20 N2 O6 -","- Be2 Co F8 H20 N2 O6 -","- Be4 Co2 F16 H40 N4 O12 -","2","0.5","","Vicat, J.; Duc Tran Qui; Filhol, A.; Aleonard, S.; Roudaut, E.; Thomas, M.","Structure cristalline de l'orthofluoroberyllate Co (N H4)2 (Be F4)2 (H2 O)6 par diffraction neutronique","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1895","1903","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106904","9.21","","9.666","","8.57","","90","","90.56","","90","","762.898","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Sr (Ga2 Ge2 O8)","","- Ga2 Ge2 O8 Sr -","- Ga2 Ge2 O8 Sr -","- Ga8 Ge8 O32 Sr4 -","4","1","","Calleri, M.; Gazzoni, G.","The structures of (Sr, Ba) ( (Al, Ga)2 (Si, Ge)2 O8). III. The crystal structures of the paracelsian-like modifications of synthetic Sr Ga2 Ge2 O8 and Ba Ga2 Ge2 O8","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1196","1205","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106905","9.349","","9.903","","8.77","","90","","90.36","","90","","811.938","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ba (Ga2 Ge2 O8)","","- Ba Ga2 Ge2 O8 -","- Ba Ga2 Ge2 O8 -","- Ba4 Ga8 Ge8 O32 -","4","1","","Calleri, M.; Gazzoni, G.","The structures of (Sr, Ba) ( (Al, Ga)2 (Si, Ge)2 O8). III. The crystal structures of the paracelsian-like modifications of synthetic Sr Ga2 Ge2 O8 and Ba Ga2 Ge2 O8","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1196","1205","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107006","14.02","","4.54","","10.28","","90","","101.5","","90","","641.194","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","K (P O3)","","- K O3 P -","- K O3 P -","- K8 O24 P8 -","8","2","","Jost, K.H.; Schulze, H.J.","Zur Phasentransformation des Kaliumpolyphosphates (K P O3)x","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1110","1118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107007","14.03","","4.54","","11.56","","90","","64.7","","90","","665.701","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","K (P O3)","","- K O3 P -","- K O3 P -","- K8 O24 P8 -","8","2","","Jost, K.H.; Schulze, H.J.","Zur Phasentransformation des Kaliumpolyphosphates (K P O3)x","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1110","1118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107074","8.227","","12.199","","5.4193","","90","","79.741","","90","","535.192","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Mn (S O3)","","- Mn O3 S -","- Mn O3 S -","- Mn8 O24 S8 -","8","2","","Magnusson, A.; Johansson, L.G.; Lindqvist, O.","The structure of manganese(II) sulfite","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1108","1110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107104","7.488","","9.03","","7.869","","90","","113.63","","90","","487.462","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Mg (N C S)2 (H2 O)4","","- C2 H8 Mg N2 O4 S2 -","- C2 H8 Mg N2 O4 S2 -","- C4 H16 Mg2 N4 O8 S4 -","2","0.5","","Mereiter, K.; Preisinger, A.","Structure of Magnesium Isothiocyanate Tetrahydrate","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1263","1265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107163","7.972","","13.03","","7.757","","90","","103.99","","90","","781.859","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","Tl4 S3","","- S3 Tl4 -","- S3 Tl4 -","- S12 Tl16 -","4","1","","Leclerc, B.; Bailly, M.","Structure cristalline du sulfure de thallium: Tl4 S3","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2334","2334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2107264","7.278","","8.856","","6.858","","90","","115.75","","90","","398.131","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ca Ti (Si O4) O","","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Kunz, M.; Armbruster, T.","Applications and limitations of the ionic potential model with empirically derived ion-specific repulsion parameters","Acta Crystallographica B (39,1983-)","1992","48","","609","622","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107351","28.98","","11.2","","6.11","","90","","92.55","","90","","1981.2","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","H3.33 (Fe0.33 Fe0.67 (C N)6) (H2 O)","","- C6 H5.33 Fe N6 O -","- C6 Fe N6 O -","- C36 Fe6 N36 O6 -","6","1.5","","Haser, R.; Penel, C.; Pierrot, M.","Etude structurale de la serie des hexacyanofarrates(II,III) d'hydrogene: H3+x (Fe(II)x Fe(III)1-x (C N)6)(H2 O)y. IV. La phase monocl. M: H3.33 Fe(II)0.33 Fe(III)0.67 (C N)6)(H2 O)2.66,...","Acta Crystallographica B (24,1968-38,1982)","1972","28","","2548","2554","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107464","11.91","0.005","19.682","0.008","25.516","0.009","90","","93.74","0.03","90","","5969","4","350","2","350","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","ammonium salt of 1,3-cyclic dihydroxyacetone phosphate dimethyl acetal","ammonium 5,5-dimethoxy-2-oxo-1,3,2-dioxaphosphorinan-2-olate","","- C5 H14 N O6 P -","- C5 H14 N O6 P -","- C120 H336 N24 O144 P24 -","24","6","WF5120","Ślepokura, Katarzyna Anna","Reversible <i>chair</i> {łeftrightarrow} <i>skew</i> conformational interconversion of 1,3,2-dioxaphosphorinane ring in the solid state","Acta Crystallographica Section B","2016","72","1","117","125","10.1107/S2052520615020259","","","0.71073","MoKα","","0.2248","0.077","","","0.1399","0.1771","","","","","","1.003","","","","has coordinates,has disorder","176607","2020-10-21","18:00:00",""
"2107466","11.39","0.004","6.862","0.002","12.216","0.005","90","","97.86","0.03","90","","945.8","0.6","205","2","205","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","ammonium salt of 1,3-cyclic dihydroxyacetone phosphate dimethyl acetal","ammonium 5,5-dimethoxy-2-oxo-1,3,2-dioxaphosphorinan-2-olate","","- C5 H14 N O6 P -","- C5 H14 N O5.9999 P -","- C20 H56 N4 O23.9996 P4 -","4","1","","Ślepokura, Katarzyna Anna","Reversible <i>chair</i> {łeftrightarrow} <i>skew</i> conformational interconversion of 1,3,2-dioxaphosphorinane ring in the solid state","Acta Crystallographica Section B","2016","72","1","117","125","10.1107/S2052520615020259","","","0.71073","MoKα","","0.0787","0.0396","","","0.1025","0.1139","","","","","","1.013","","","","has coordinates,has disorder","176607","2020-10-21","18:00:00",""
"2108143","9.34","","19.482","","8.634","","90","","115.13","","90","","1422.35","","","","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H38 N4 O4 S2 -","- C28 H38 N4 O4 S2 -","- C56 H76 N8 O8 S4 -","2","0.5","XF5001","Voufack, Ariste Bolivard; Claiser, Nicolas; Lecomte, Claude; Pillet, Sébastien; Pontillon, Yves; Gillon, Béatrice; Yan, Zeyin; Gillet, Jean-Michel; Marazzi, Marco; Genoni, Alessandro; Souhassou, Mohamed","When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical","Acta Crystallographica Section B","2017","73","4","544","549","10.1107/S2052520617008241","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates,has Fobs","199404","2020-10-21","18:00:00",""
"2108280","7.7154","0.0002","5.9019","0.0001","7.6969","0.0002","90","","100.411","0.002","90","","344.712","0.014","100","","100","","","","","","","","Sigma Aldrich","2","P 1 21/a 1","-P 2yab","14","","azulene","","- C10 H8 -","- C10 H8 -","- C20 H16 -","2","0.5","","Dittrich, B.; Fabbiani, F. P. A.; Henn, J.; Schmidt, M. U.; Macchi, P.; Meindl, K.; Spackman, M. A.","Azulene revisited: solid-state structure, invariom modeling and lattice-energy minimization of a classical example of disorder","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618010120","","","0.7107","MoKα","","0.0526","0.0428","","","","0.0275","","","","","","3.0429","","","","has coordinates,has Fobs","287891","2023-11-30","15:38:08",""
"2108365","8.2204","0.0015","10.898","0.002","26.905","0.005","90","","98.691","0.004","90","","2382.6","0.8","270","","270","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C17 H10 N2 -","- C17 H10 N2 -","- C136 H80 N16 -","8","2","","Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul","The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry","Acta Crystallographica Section B","2019","75","1","97","106","10.1107/S2052520618017341","","","0.71073","MoKα","","0.1679","0.0911","","","0.2233","0.2797","","","","","","1.056","","","","has coordinates,has Fobs","213457","2020-10-21","18:00:00",""
"2108466","14.3673","0.0006","16.6534","0.0009","6.3704","0.0003","90","","148.261","0.007","90","","801.81","0.17","300","","300","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","","Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold","From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619008461","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","217348","2020-10-21","18:00:00",""
"2108467","14.3673","0.0006","16.6534","0.0009","6.3704","0.0003","90","","148.261","0.007","90","","801.81","0.17","300","","300","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","","Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold","From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619008461","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","217348","2020-10-21","18:00:00",""
"2108468","14.3673","0.0006","16.6534","0.0009","6.3704","0.0003","90","","148.261","0.007","90","","801.81","0.17","300","","300","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","","Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold","From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619008461","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","217348","2020-10-21","18:00:00",""
"2109027","9.7872","0.001","8.4868","0.0005","7.407","0.007","90","","100.43","0.03","90","","605.1","0.6","298","2","298","2","0","","0","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","XK5096","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.1044","0.0567","","","0.1269","0.165","","","","","","1.093","","","","has coordinates,has Fobs","277573","2022-09-02","01:50:09",""
"2109028","9.7823","0.0009","8.4929","0.0005","7.412","0.007","90","","100.44","0.03","90","","605.6","0.6","298","2","298","2","10000","","10000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.098","0.0576","","","0.1321","0.1526","","","","","","1.059","","","","has coordinates,has Fobs","277573","2022-09-02","01:50:18",""
"2109029","9.7272","0.0009","8.4963","0.0005","7.332","0.007","90","","100.45","0.03","90","","595.9","0.6","298","2","298","2","360000","","360000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2.66667 H10.6667 N1.33333 O6.66667 P1.33333 -","- C8 H32 N4 O20 P4 -","3","0.75","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0847","0.0512","","","0.1126","0.1313","","","","","","1.058","","","","has coordinates,has Fobs","277573","2022-09-02","01:50:38",""
"2109030","9.6758","0.0008","8.4905","0.0004","7.306","0.005","90","","100.43","0.03","90","","590.3","0.4","293","2","293","2","510000","","510000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.1044","0.06","","","0.1358","0.1738","","","","","","1.078","","","","has coordinates,has Fobs","277573","2022-09-02","01:50:43",""
"2109031","9.6118","0.0008","8.4921","0.0004","7.251","0.005","90","","100.4","0.03","90","","582.1","0.4","293","2","293","2","880000","","880000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0926","0.0525","","","0.1197","0.1476","","","","","","1.078","","","","has coordinates,has Fobs","277573","2022-09-02","01:50:45",""
"2109032","9.5551","0.0009","8.501","0.0005","7.182","0.006","90","","100.35","0.03","90","","573.9","0.5","293","2","293","2","1210000","","1210000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0972","0.0576","","","0.1291","0.1568","","","","","","1.051","","","","has coordinates,has Fobs","277573","2022-09-02","01:50:51",""
"2109033","9.4961","0.0009","8.5028","0.0005","7.127","0.006","90","","100.38","0.03","90","","566","0.5","293","2","293","2","1630000","","1630000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0947","0.0554","","","0.1297","0.1607","","","","","","1.06","","","","has coordinates,has Fobs","277573","2022-09-02","01:51:08",""
"2109034","9.4462","0.001","8.5075","0.0006","7.057","0.007","90","","100.46","0.03","90","","557.7","0.6","293","2","293","2","1940000","","1940000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0912","0.0533","","","0.1289","0.1522","","","","","","1.094","","","","has coordinates,has Fobs","277573","2022-09-02","01:51:13",""
"2109035","9.3869","0.0008","8.5115","0.0004","6.98","0.005","90","","100.5","0.03","90","","548.3","0.4","293","2","293","2","","","2460000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2.66667 H10.6667 N1.33333 O6.66667 P1.33333 -","- C8 H32 N4 O20 P4 -","3","0.75","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0856","0.0511","","","0.1115","0.1325","","","","","","1.061","","","","has coordinates,has Fobs","277573","2022-09-02","01:51:27",""
"2109036","9.3265","0.0008","8.5118","0.0005","6.889","0.006","90","","100.68","0.03","90","","537.4","0.5","293","2","293","2","3080000","","3080000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0855","0.0536","","","0.1166","0.1417","","","","","","1.095","","","","has coordinates,has Fobs","277573","2022-09-02","01:51:39",""
"2109037","9.2779","0.0011","8.5031","0.0006","6.835","0.007","90","","100.76","0.04","90","","529.7","0.6","293","2","293","2","3600000","","3600000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0934","0.0558","","","0.1248","0.1444","","","","","","1.097","","","","has coordinates,has Fobs","277573","2022-09-02","01:52:04",""
"2109038","9.2492","0.001","8.5144","0.0006","6.769","0.006","90","","100.94","0.03","90","","523.4","0.5","293","2","293","2","4060000","","4060000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0946","0.0516","","","0.1142","0.1335","","","","","","1.037","","","","has coordinates,has Fobs","277573","2022-09-02","01:52:20",""
"2109039","9.2008","0.0008","8.5014","0.0005","6.745","0.005","90","","100.94","0.03","90","","518","0.4","293","2","293","2","4540000","","4540000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.117","0.0659","","","0.1507","0.1865","","","","","","1.154","","","","has coordinates,has Fobs","277573","2022-09-02","01:52:45",""
"2109040","9.1703","0.001","8.4987","0.0005","6.695","0.006","90","","101.01","0.03","90","","512.2","0.5","293","2","293","2","5000000","","5000000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0993","0.057","","","0.1252","0.149","","","","","","1.039","","","","has coordinates,has Fobs","277573","2022-09-02","01:53:03",""
"2109041","9.1302","0.0011","8.4972","0.0005","6.657","0.007","90","","101","0.04","90","","507","0.5","293","2","293","2","5520000","","5520000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.1194","0.0672","","","0.1435","0.1774","","","","","","1.053","","","","has coordinates,has Fobs","277573","2022-09-02","01:53:17",""
"2109042","9.1044","0.0014","8.4959","0.0008","6.628","0.009","90","","100.98","0.05","90","","503.3","0.7","293","2","293","2","6000000","","6000000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.1258","0.0714","","","0.1586","0.189","","","","","","1.079","","","","has coordinates,has Fobs","277573","2022-09-02","01:53:32",""
"2109043","9.07","0.0017","8.4856","0.0009","6.61","0.011","90","","100.98","0.06","90","","499.4","0.8","293","2","293","2","6520000","","6520000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.1422","0.0752","","","0.1739","0.2197","","","","","","1.074","","","","has coordinates,has Fobs","277573","2022-09-02","01:53:36",""
"2200019","11.609","0.005","18.907","0.005","9.878","0.005","90","","95.462","0.005","90","","2158.3","1.5","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C54 H56 N4 -","- C54 H56 N4 -","- C108 H112 N8 -","2","0.5","CF6002","Kubo, Kanji; Yamamoto, Emi; Sakurai, Tadamitsu; Mori, Akira","<i>N,N</i>',<i>N</i>'',<i>N</i>'''-Tetrakis(1-naphthylmethyl)-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section E","2001","57","1","o1","o3","10.1107/S1600536800017323","","","0.71073","MoKα","","0.29","0.052","","","","0.163","","","","","","0.87","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200021","7.9964","0.001","18.6031","0.001","10.9254","0.001","90","","101.274","0.005","90","","1593.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","6,7-dimethyl-3a,8a-dihydro-3H-8-oxa-cyclopenta[a]inden-5-yl benzoate","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","CF6004","Czugler, Mátyás; Bombicz, Petra","6,7-Dimethyl-3a,8a-dihydro-3<i>H</i>-8-oxacyclopenta[<i>a</i>]inden-5-yl benzoate","Acta Crystallographica Section E","2001","57","1","o37","o38","10.1107/S1600536800018821","","","0.7107","MoKα","","0.131","0.052","","","","0.158","","","","","","0.97","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200036","10.287","0.0014","10.729","0.002","13.1233","0.0013","90","","112.423","0.013","90","","1338.9","0.4","150","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C52 H76 N4 O16 -","4","1","CF6025","Coles, Simon J.; Hibbs, David E.; Hursthouse, Michael B","5-<i>tert</i>-Butylperoxy-5-(oxiran-2-yl)-1-(prop-2-ynyl)pyrrolidin-2-one","Acta Crystallographica Section E","2001","57","1","o66","o67","10.1107/S1600536800020018","","","0.71069","MoKα","","","0.04","","","","0.096","","","","","","0.91","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200122","17.174","0.005","7.38","0.005","11.393","0.005","90","","100.647","0.005","90","","1419.1","1.2","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H14 N2 S -","- C16 H14 N2 S -","- C64 H56 N8 S4 -","4","1","CF6037","Mori, Akira; Kubo, Kanji; Yin, Bing Zhu; Takeshita, Hitoshi","2-(7-Isopropyl-2-methylcyclohepta[<i>b</i>]thiophen-8-ylidene)propanedinitrile","Acta Crystallographica Section E","2001","57","2","o118","o119","10.1107/S1600536801001064","","","0.71073","MoKα","","0.172","0.052","","","","0.143","","","","","","0.994","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200141","19.457","0.002","6.442","0.001","24.619","0.001","90","","110.95","0.08","90","","2881.8","1.6","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4-(p-toluidinomethylene)-2-phenyl-2-oxazolin-5-one","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","2","CI6003","Vasuki, G.; Parthasarathi, V.; Ramamurthi, K.; Singh, R. M; Srivastava, Ambika","2-Phenyl-4-(<i>p</i>-toluidinomethylene)-5-oxazolone","Acta Crystallographica Section E","2001","57","2","o120","o121","10.1107/S160053680100109X","","","1.5418","CuKα","","0.05","0.044","","","","0.125","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200222","11.908","0.003","8.2396","0.0014","13.925","0.004","90","","103.14","0.03","90","","1330.5","0.6","180","2","180","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","2-(Toluene-4-sulfonylamino)benzoyl fluoride","","- C14 H12 F N O3 S -","- C14 H12 F N O3 S -","- C56 H48 F4 N4 O12 S4 -","4","1","TK6000","Ziemer, Burkhard; Surygina, Oxana; Ehwald, Max","2-(Toluene-4-sulfonylamino)benzoyl fluoride","Acta Crystallographica Section E","2001","57","2","o139","o140","10.1107/S1600536801001040","","","0.71073","MoKα","","0.037","0.03","","","","0.082","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200227","12.8585","0.0014","10.7092","0.0011","8.3657","0.0014","90","","103.052","0.011","90","","1122.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","1","TK6006","Kubo, Kanji; Tsuruta, Tetsuya; Mori, Akira","2-Butanoyloxy-5-nitrotropone","Acta Crystallographica Section E","2001","57","4","o326","o327","10.1107/S1600536801003749","","","0.71073","MoKα","","0.212","0.055","","","","0.168","","","","","","0.954","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200230","8.778","0.002","15.3778","0.0019","8.442","0.002","90","","113.59","0.018","90","","1044.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","TK6011","Kubo, Kanji; Tsujimoto, Teppei; Kato, Nobuo; Mori, Akira","2,3-Cyclohexanopyrrolo[2,3-<i>b</i>]tropone","Acta Crystallographica Section E","2001","57","4","o370","o371","10.1107/S1600536801005001","","","0.7107","MoKα","","0.257","0.062","","","","0.194","","","","","","0.939","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200247","7.6119","0.0005","8.846","0.0004","15.611","0.001","90","","101.321","0.005","90","","1030.71","0.11","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N-ethyldithiophthalimide","","- C10 H9 N S2 -","- C10 H9 N S2 -","- C40 H36 N4 S8 -","4","1","YA6008","Meden, Anton; Huskić, Miroslav; Bele, Marjan","<i>N</i>-Ethyldithiophthalimide, the first structure of a dithiophthalimide derivative","Acta Crystallographica Section E","2001","57","4","o303","o304","10.1107/S1600536801003828","","","0.71073","MoKα","","0.062","0.045","","0.055","","0.048","","","0.595","","","0.9","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200250","10.754","0.0004","13.9616","0.0005","8.9464","0.0004","90","","104.946","0.0012","90","","1297.8","0.09","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-Amino-5-hexyloxytropone","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C52 H76 N4 O8 -","4","1","YA6011","Yamamoto, Emi; Kubo, Kanji; Kato, Nobuo; Mori, Akira","2-Amino-5-hexyloxytropone","Acta Crystallographica Section E","2001","57","3","o279","o281","10.1107/S1600536801003294","","","0.71073","MoKα","","0.165","0.071","","","","0.244","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200271","9.139","0.002","11.083","0.002","16.411","0.003","90","","95.838","0.002","90","","1653.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N,N-dimethylphosphoramidic acid bis(4-nitrophenyl) ester","","- C14 H14 N3 O7 P -","- C14 H14 N3 O7 P -","- C56 H56 N12 O28 P4 -","4","1","BT6036","Gholivand, Khodayar; Tadjarodi, Azadeh; Taeb, Abbas; Garivani, Gholamhossein; Ng, Seik Weng","Bis(4-nitrophenyl) <i>N</i>,<i>N</i>-dimethylphosphoramidate","Acta Crystallographica Section E","2001","57","5","o472","o473","10.1107/S1600536801006766","","","0.71073","MoKα","","0.0989","0.0456","","","","0.1344","","","","","","0.922","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200318","11.425","0.003","5.542","0.003","12.95","0.004","90","","106.39","0.02","90","","786.6","0.5","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C36 H32 Cu2 N4 O8 -","2","0.5","NA6078","Okabe, Nobuo; Saishu, Hiroko","Bisaquabis(8-hydroxyquinolinato-<i>N</i>,<i>O</i>)copper(II)","Acta Crystallographica Section E","2001","57","6","m251","m252","10.1107/S1600536801008297","","","0.7107","MoKα","","","0.0327","","","","0.1109","","","","","","0.914","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200336","10.0838","0.0016","25.963","0.004","10.1696","0.0017","90","","95.641","0.014","90","","2649.6","0.7","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Tricarbonylchromium dihydroacenaphthylene complex","exo-(±)-Tricarbonyl(η^6^-1-hydroxy-1,2-dihydroacenaphthylene)chromium(0)","","- C15 H10 Cr O4 -","- C15 H10 Cr O4 -","- C120 H80 Cr8 O32 -","8","2","OM6017","Parvez, Masood; Simion, Dan V.; Sorensen, Ted S.","<i>exo</i>-(±)-Tricarbonyl(η^6^-1-hydroxy-1,2-dihydroacenaphthylene)chromium(0)","Acta Crystallographica Section E","2001","57","5","m204","m206","10.1107/S1600536801006304","","","0.71069","MoKα","","0.253","0.047","","","","0.161","","","","","","0.95","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200452","7.7046","0.0005","10.6062","0.0007","9.3384","0.0006","90","","95.033","0.002","90","","760.16","0.09","297","2","297","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-Aza-bicyclo[3.3.1]nonane-2,4-dione","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","1","CI6050","Howie, R. Alan; Skakle, Janet M. S.","3-Azabicyclo[3.3.1]nonane-2,4-dione: CSP2001 structure prediction test case No. 1","Acta Crystallographica Section E","2001","57","9","o822","o824","10.1107/S1600536801012818","","","0.71073","MoKα","","0.083","0.044","","","","0.123","","","","","","0.9","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200491","10.0991","0.0011","14.1486","0.0015","16.205","0.003","90","","100.85","0.01","90","","2274.1","0.6","298","2","298","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C23 H21 Cl3 Fe N2 O Pt -","- C23 H21 Cl3 Fe N2 O Pt -","- C92 H84 Cl12 Fe4 N8 O4 Pt4 -","4","1","NA6087","Blake, Alexander J.; Osborne, Anthony G.; Hollands, R. E.","Acetyl(2,2'-bipyridine)chloro(1,1'-dichloroferrocen-2-yl)methylplatinum(IV)","Acta Crystallographica Section E","2001","57","7","m313","m314","10.1107/S1600536801009862","","","0.71073","MoKα","","0.0936","0.0544","","","","0.135","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200508","14.446","0.003","3.963","0.001","17.807","0.007","90","","98.59","0.02","90","","1008","0.5","298","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H7 Br N2 O -","- C12 H7 Br N2 O -","- C48 H28 Br4 N8 O4 -","4","1","OB6057","Hökelek, Tuncer; Kılıç, Emine; Dinçer, Sebla","2-Bromobenzo[<i>c</i>]cinnoline 6-oxide","Acta Crystallographica Section E","2001","57","7","o645","o647","10.1107/S1600536801010236","","","0.71073","MoKα","","","0.058","","","","0.051","","","","","","1.12","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200534","13.7198","0.0001","15.3812","0.0002","13.8702","0.0002","90","","110.387","0.0005","90","","2743.64","0.06","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Dichloro[N,N'-bis(2,6-diisopropylphenyl)-1,2-ethanediimine-N,N']palladium","","- C26 H36 Cl2 N2 Pd -","- C26 H36 Cl2 N2 Pd -","- C104 H144 Cl8 N8 Pd4 -","4","1","TK6026","Comerlato, Nadia M.; Crossetti, Geraldo L.; Howie, R. Alan; Tibultino, Pollyanna C.D.; Wardell, James L.","Dichloro[<i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)-1,2-ethanediimine-<i>N</i>,<i>N</i>']palladium","Acta Crystallographica Section E","2001","57","7","m295","m297","10.1107/S1600536801008704","","","0.71073","MoKα","","0.037","0.029","","","","0.075","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200537","11.821","0.002","10.7618","0.0018","6.3146","0.0011","90","","101.86","0.014","90","","786.2","0.2","295","2","295","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","Racemic 6-exo-hydroxybicyclo[2.2.1]heptane-2-exo-carboxylic acid","Racemic 6-exo-hydroxybicyclo[2.2.1]heptane-2-exo-carboxylic acid","","- C8 H12 O3 -","- C8 H12 O3 -","- C32 H48 O12 -","4","1","TK6030","Smith, Graham; Bott, Raymond C.; Jenkins, Ian D.; Wermuth, Urs D.","Racemic 6-<i>exo</i>-hydroxybicyclo[2.2.1]heptane-2-<i>exo</i>-carboxylic acid","Acta Crystallographica Section E","2001","57","8","o788","o789","10.1107/S1600536801012223","","","0.71069","MoKα","","0.076","0.043","","","","0.132","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200571","10.096","0.001","26.316","0.002","16.927","0.002","90","","90.07","0.002","90","","4497.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","7-chloro-2-methyl-3-methylamino-2H-1,2,4-benzothiadiazine 1,1-dioxide","","- C9 H10 Cl N3 O2 S -","- C9 H10 Cl N3 O2 S -","- C144 H160 Cl16 N48 O32 S16 -","16","4","YA6037","Dupont, Léon; Somers, Fabian; Boverie, Stéphane; Pirotte, Bernard; Tinant, Bernard; de Tullio, Pascal","7-Chloro-2-methyl-3-methylamino-2<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide","Acta Crystallographica Section E","2001","57","7","o652","o654","10.1107/S1600536801010248","","","0.71069","MoKα","","0.044","0.036","","","","0.106","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200606","8.733","0.0002","5.871","0.0003","15.307","0.0006","90","","90.535","0.001","90","","784.78","0.05","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N,N'-bis(salicylidene)-1,4,butanediamine","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","0.5","CF6103","Kennedy, Alan R.; Reglinski, John","<i>N</i>,<i>N</i>'-Bis(salicylidene)-1-4-butanediamine","Acta Crystallographica Section E","2001","57","11","o1027","o1028","10.1107/S1600536801016269","","","0.71073","MoKα","","0.1181","0.0626","","0.1351","0.1058","","","","1.194","1.231","1.231","","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200607","7.287","0.007","10.725","0.009","7.452","0.008","90","","90.37","0.09","90","","582.4","1","5","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","2,6DMP","2,6 dimethylpyrazine","","- C6 H8 N2 -","- C6 H8 N2 -","- C24 H32 N8 -","4","1","CF6104","Kaiser-Morris, Erika; Nicolaï, Beatrice; Cousson, Alain; Paulus, Werner; Fillaux, Francois","2,6-Dimethylpyrazine at 5K: a neutron-diffraction study","Acta Crystallographica Section E","2001","57","11","o1116","o1117","10.1107/S1600536801017846","","neutron","0.8308","Neutron","","","0.0323","","","","0.016","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200608","7.288","0.005","10.73","0.01","7.444","0.007","90","","90.1","0.08","90","","582.1","0.9","20","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","2,6DMP","2,6-dimethylpyrazine","","- C6 H8 N2 -","- C6 H8 N2 -","- C24 H32 N8 -","4","1","CF6105","Kaiser-Morris, Erika; Nicolaï, Beatrice; Cousson, Alain; Paulus, Werner; Fillaux, Francois","2,6-Dimethylpyrazine at 20K: a neutron-diffraction study","Acta Crystallographica Section E","2001","57","11","o1113","o1115","10.1107/S1600536801017834","","neutron","0.8308","Neutron","","","0.0311","","","","0.0186","","","","","","1.0328","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200815","11.994","0.003","11.131","0.002","11.384","0.009","90","","109.31","0.08","90","","1434.3","1.4","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- H30 Mo6 N4 Ni O28 -","- Mo6 N4 Ni O28 -","- Mo12 N8 Ni2 O56 -","2","0.5","BR6038","Lee, Uk; Joo, Hea-Chung; Kwon, Jae-Sam","Tetraammonium hexahydrogen hexamolybdonickelate(II) tetrahydrate, (NH~4~)~4~[H~6~NiMo~6~O~24~]·4H~2~O","Acta Crystallographica Section E","2002","58","1","i6","i8","10.1107/S1600536801021109","","","0.71069","MoKα","","0.0813","0.0526","","","0.117","0.1371","","","","","","1.128","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200942","7.6548","0.0002","15.7782","0.0004","10.9114","0.0004","90","","95.299","0.001","90","","1312.24","0.07","150","","150","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2,3,5-Trichloro-6-(2-diethylaminovinyl)-1,4-benzoquinone","","- C12 H12 Cl3 N O2 -","- C12 H12 Cl3 N O2 -","- C48 H48 Cl12 N4 O8 -","4","1","NA6139","Krivokapic, Alexander; Anderson, Harry L.","2,3,5-Trichloro-6-(2-diethylaminovinyl)-1,4-benzoquinone","Acta Crystallographica Section E","2002","58","3","o259","o260","10.1107/S1600536802002283","","","0.71073","MoKα","","","0.0256","","","","0.0286","","","","","","1.0234","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200973","14.766","0.005","11.214","0.004","12.089","0.004","90","","102.51","0.03","90","","1954.2","1.2","295","","295","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1,1-Dibenzyl-6-methoxy-3,4-dihydro-1H-naphthalen-2-one","","- C25 H24 O2 -","- C25 H24 O2 -","- C100 H96 O8 -","4","1","TK6050","Christopher L. Brown; Sarah J. Head; Peter C. Healy","1,1-Dibenzyl-6-methoxy-3,4-dihydro-1<i>H</i>-naphthalen-2-one","Acta Crystallographica Section E","2002","58","2","o178","o179","10.1107/S1600536802000715","","","0.71069","MoKα","","0.105","0.052","","","0.146","0.174","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201040","13.037","0.004","11.003","0.003","14.851","0.003","90","","100.12","0.02","90","","2097.2","1","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H21 La N2 O13 -","- C16 H21 La N2 O13 -","- C64 H84 La4 N8 O52 -","4","1","BT6140","Okabe, Nobuo; Hasuyo Kyoyama","A polynuclear lanthanum(III) complex of dipicolinic acid","Acta Crystallographica Section E","2002","58","5","m226","m227","10.1107/S1600536802007596","","","0.7107","MoKα","","","0.0309","","","","0.1086","","","","","","0.8","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2201056","21.0704","0.0002","8.6065","0.0001","23.6443","0.0003","90","","112.459","0.0006","90","","3962.5","0.08","200","","200","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C43 H62 O P2 Pd -","- C43 H62 O P2 Pd -","- C172 H248 O4 P8 Pd4 -","4","1","CF6163","Willis, Anthony C.; Retbøll, Mikael K.; Wenger, Eric","A palladium(0) complex of dibenzylideneacetone and a chelating diphosphine","Acta Crystallographica Section E","2002","58","6","m275","m277","10.1107/S1600536802008140","","","0.7107","MoKα","","0.0545","0.0404","","0.0515","","0.0485","","","1.95","","","1.97","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2201104","14.121","0.015","5.245","0.002","17.384","0.015","90","","108.99","0.11","90","","1217.5","1.9","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","thiabendazolium perchlorate","","","- C10 H8 Cl N3 O4 S -","- C10 H8 Cl N3 O4 S -","- C40 H32 Cl4 N12 O16 S4 -","4","1","CV6094","Stanley, Nithianantham; Panneerselvam, Pathus; Thomas Muthiah, Packianathan","A hydrogen-bonded supramolecular chain in thiabendazolium perchlorate","Acta Crystallographica Section E","2002","58","4","o426","o428","10.1107/S1600536802004397","","","0.71073","MoKα","","0.104","0.0679","","","0.1565","0.1816","","","","","","1.223","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201143","14.713","0.003","19.54","0.006","13.413","0.004","90","","101.74","0.02","90","","3775.5","1.8","297","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C45 H32 Cl2 Co N5 O3 -","- C45 H32 Cl2 Co N5 O3 -","- C180 H128 Cl8 Co4 N20 O12 -","4","1","NA6151","Ohba, Shigeru; Seki, Hiroshi","Aquanitro(α,β,γ,δ-tetraphenylporphyrinato)cobalt(III) dichloromethane solvate","Acta Crystallographica Section E","2002","58","5","m169","m171","10.1107/S1600536802005524","","","0.7107","MoKα","","","0.0894","","","","0.3167","","","","","","1.036","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2201149","24.449","0.002","5.2431","0.0005","12.6633","0.0009","90","","91.714","0.006","90","","1622.6","0.2","250","1","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","NA6157","Ohba, Shigeru; Ito, Yoshikatsu","<i>N</i>-[2-(3,4-Dimethoxyphenyl)ethyl]-3-phenylacrylamide","Acta Crystallographica Section E","2002","58","5","o517","o518","10.1107/S1600536802006360","","","1.5418","CuKα","","","0.056","","","","0.156","","","","","","1.26","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201219","8.219","0.004","16.203","0.007","12.991","0.006","90","","105.19","0.01","90","","1669.6","1.3","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Hexakis(imidazole-N)cobalt(II) 1,4-benzenedicarboxylate tetrahydrate","","- C26 H36 Co N12 O8 -","- C26 H36 Co N12 O8 -","- C52 H72 Co2 N24 O16 -","2","0.5","YA6096","Tong, Ming-Liang; Li, Wei; Chen, Xiao-Ming; Ng, Seik Weng","Hexakis(imidazole-<i>N</i>)cobalt(II) 1,4-benzenedicarboxylate tetrahydrate","Acta Crystallographica Section E","2002","58","5","m186","m188","10.1107/S1600536802005925","","","0.71073","MoKα","","0.086","0.058","","","0.157","0.179","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201273","9.201","0.001","10.0035","0.0006","11.195","0.002","90","","113.73","0.01","90","","943.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","DL-valinium dihydrogen phosphate","DL-valinium dihydrogen phosphate","","- C5 H14 N O6 P -","- C5 H14 N O6 P -","- C20 H56 N4 O24 P4 -","4","1","BT6161","Ravikumar, Bagavath Singh; Sridhar, Balasubramanian; Rajaram, Ramaswamy Karunanandam","<small>DL</small>-Valinium dihydrogen phosphate","Acta Crystallographica Section E","2002","58","8","o879","o881","10.1107/S1600536802012011","","","0.71073","MoKα","","0.0395","0.0279","","","0.0734","0.0789","","","","","","1.075","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201278","14.8002","0.0015","7.4029","0.0016","16.0091","0.0016","90","","96.395","0.008","90","","1743.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","3,5-Dinitrosalicylic acid‒phenazine (1/1)","3,5-Dinitrosalicylic acid‒phenazine (1/1)","","- C19 H12 N4 O7 -","- C19 H12 N4 O7 -","- C76 H48 N16 O28 -","4","1","BT6166","V. S. Senthil Kumar; Srinivasan S. Kuduva; Gautam R. Desiraju","3,5-Dinitrosalicylic acid-phenazine (1/1)","Acta Crystallographica Section E","2002","58","8","o865","o866","10.1107/S1600536802012473","","","0.71073","MoKα","","0.1521","0.0587","","","0.112","0.1319","","","","","","0.916","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201330","12.983","0.004","11.231","0.003","14.151","0.004","90","","101.76","0.02","90","","2020.1","1","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H19 Ce N2 O14 -","- C14 H19 Ce N2 O14 -","- C56 H76 Ce4 N8 O56 -","4","1","CF6187","Okabe, Nobuo; Hasuyo Kyoyama; Ayumi Fujimoto","A polymeric cerium(III) complex of dipicolinic acid","Acta Crystallographica Section E","2002","58","7","m354","m356","10.1107/S1600536802010826","","","0.7107","MoKα","","","0.0547","","","","0.243","","","","","","1.458","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2201431","10.38","0.002","19.091","0.003","9.947","0.002","90","","112.17","0.02","90","","1825.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Trimethoprim trifluoroacetate","2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidinium trifluoroacetate","","- C16 H19 F3 N4 O5 -","- C16 H19 F3 N4 O5 -","- C64 H76 F12 N16 O20 -","4","1","CV6116","Savarimuthu Francis; Packianathan Thomas Muthiah; Gabriele Bocelli; Lara Righi","Hydrogen-bonding patterns in trimethoprim trifluoroacetate","Acta Crystallographica Section E","2002","58","7","o717","o719","10.1107/S1600536802009509","","","0.71069","MoKα","","0.1198","0.059","","","0.1645","0.1879","","","","","","0.972","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201541","19.9938","0.0005","11.7063","0.0004","27.1914","0.0009","90","","111.514","0.0013","90","","5920.8","0.3","200","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C71 H71 Ni P4 -","- C56 H56 Ni P4 -","- C224 H224 Ni4 P16 -","4","1","OB6135","Alison J. Edwards; Mikael Retbøll; Eric Wenger","The tetrahedral tetrakis(phosphine) complex [bis(diphenylphosphino)butane-κ<i>P,P</i>]nickel(0)‒benzene (1/2.5)","Acta Crystallographica Section E","2002","58","7","m375","m377","10.1107/S1600536802011121","","","0.71073","MoKα","","","0.0586","","","","0.0649","","","","","","1.0308","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201580","8.6057","0.0011","16.11","0.001","8.9967","0.0011","90","","115.557","0.005","90","","1125.2","0.2","93.1","","93.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","propane-2-one 6-chloro-2,4-dinitrophenylhydrazone","","- C9 H9 Cl N4 O4 -","- C9 H9 Cl N4 O4 -","- C36 H36 Cl4 N16 O16 -","4","1","OB6175","Yasushi Kawai; Motoko Hayashi; Norihiro Tokitoh","Propanone 2-chloro-4,6-dinitrophenylhydrazone","Acta Crystallographica Section E","2002","58","10","o1098","o1099","10.1107/S1600536802016483","","","0.7107","MoKα","","","0.03","","","","0.103","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201646","8.7935","0.0011","9.3913","0.0011","14.6428","0.0018","90","","100.093","0.002","90","","1190.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Bis(1-phenylethylammonium)Tetraiodoplumbate(II)","","- C16 H24 I4 N2 Pb -","- C16 H24 I4 N2 Pb -","- C32 H48 I8 N4 Pb2 -","2","0.5","TK6084","Billing, David G.","Bis(1-phenylethylammonium) tetraiodoplumbate(II)","Acta Crystallographica Section E","2002","58","11","m669","m671","10.1107/S1600536802019025","","","0.71073","MoKα","","0.03","0.024","","","0.055","0.057","","","","","","1.05","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2201887","12.6447","0.0002","7.7044","0.0001","13.5573","0.0001","90","","92.103","0.001","90","","1319.86","0.03","295","2","295","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","2-(5,7-Dihydroxy-4-oxo-4H-chromen-3-yl)-5-methoxy-1,4-benzoquinone","","- C16 H10 O7 -","- C16 H10 O7 -","- C64 H40 O28 -","4","1","CI6202","Aree, Thammarat; Tip-pyang, Santi; Seesukphronrarak, Surasak; Chaichit, Narongsak","2-(5,7-Dihydroxy-4-oxo-4<i>H</i>-chromen-3-yl)-5-methoxy-1,4-benzoquinone (isoflavonequinone)","Acta Crystallographica Section E","2003","59","3","o363","o365","10.1107/S1600536803003684","","","0.71073","MoKα","","0.0588","0.043","","","0.1141","0.1254","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202089","11.138","0.006","8.102","0.002","13.307","0.002","90","","91.82","0.02","90","","1200.2","0.7","170","2","170","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","trans-2,3-bis(methylsulfonyl)indane","trans-2,3-bis(methylsulfonyl)indane","","- C11 H14 O4 S2 -","- C11 H14 O4 S2 -","- C44 H56 O16 S8 -","4","1","NA6230","Parvez, Masood; Clark, Peter D.; Primak, Alex","<i>trans</i>-2,3-Bis(methylsulfonyl)indane","Acta Crystallographica Section E","2003","59","6","o783","o785","10.1107/S1600536803009504","","","0.71069","MoKα","","0.151","0.042","","","0.1","0.134","","","","","","0.98","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202102","7.509","0.001","26.634","0.002","7.854","0.001","90","","117.34","0.01","90","","1395.3","0.3","180","2","180","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-[3,5-bis(trifluoromethyl)benzene]-salicylaldimine","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C60 H36 F24 N4 O4 -","4","1","OB6204","Karadayı, Nevzat; Gözüyes̨il, Sanem; Güzel, Bilgehan; Büyükgüngör, Orhan","<i>N</i>-[3,5-Bis(trifluoromethyl)phenyl]salicylaldimine","Acta Crystallographica Section E","2003","59","2","o161","o163","10.1107/S1600536803000722","","","0.71073","MoKα","","0.1209","0.0631","","","0.1507","0.1912","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202217","7.213","0.0014","29.196","0.004","7.887","0.0016","90","","116.14","0.005","90","","1491","0.5","180","2","180","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-[3,5-bis(trifluoromethyl)phenyl]-3-methoxysalicylaldimine","","- C16 H11 F6 N O2 -","- C16 H11 F6 N O2 -","- C64 H44 F24 N4 O8 -","4","1","WN6153","Karadayı, Nevzat; Gözüyes̨il, Sanem; Güzel, Bilgehan; Kazak ,Canan; Büyükgüngör, Orhan","<i>N</i>-[3,5-Bis(trifluoromethyl)phenyl]-3-methoxysalicylaldimine","Acta Crystallographica Section E","2003","59","6","o851","o853","10.1107/S1600536803010730","","","0.71073","MoKα","","0.0956","0.0695","","","0.1732","0.1949","","","","","","1.125","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202222","10.0106","0.0009","10.228","0.0006","12.1627","0.0007","90","","95.763","0.006","90","","1239.03","0.15","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N-Hydroxy-2-oxo-2,N'-diphenylacetamidine","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","WN6162","Büyükgüngör, Orhan; Hökelek, Tuncer; Taş, Murat; Batı, Hümeyra","<i>N</i>-Hydroxy-2-oxo-2,<i>N</i>'-diphenylacetamidine","Acta Crystallographica Section E","2003","59","6","o883","o885","10.1107/S1600536803010882","","","0.71073","MoKα","","0.0566","0.0337","","","0.0835","0.0881","","","","","","0.807","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202297","12.274","0.002","13.169","0.003","9.754","0.002","90","","108.64","0.03","90","","1493.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","ferrous iron hydroxide phosphate, mineral name: wolfeite","diiron(II) hydroxide phosphate","","- Fe1.84 H Mg0.16 O5 P -","- Fe1.83918 H Mg0.160825 O5 P -","- Fe29.4268 H16 Mg2.5732 O80 P16 -","16","4","BR6111","Kolitsch, Uwe","Mg-rich wolfeite, (Fe^II^,Mg)~2~(PO~4~)(OH): structure refinement and Raman spectroscopic data","Acta Crystallographica Section E","2003","59","9","i125","i128","10.1107/S1600536803017537","","","0.71073","MoKα","","0.0326","0.0215","","","0.0608","0.0653","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202396","8.5516","0.0015","10.2077","0.0017","9.392","0.003","90","","91.64","0.02","90","","819.5","0.3","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C6 H8 N2 O5 -","- C6 H8 N2 O5 -","- C24 H32 N8 O20 -","4","1","BT6367","Takeo Fukunaga; Hiroyuki Ishida","Imidazolium hydrogen tartronate","Acta Crystallographica Section E","2003","59","12","o1869","o1871","10.1107/S1600536803024723","","","0.71073","MoKα","","0.066","0.065","","0.12","","0.12","","","1.01","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202490","9.878","0.0009","5.64","0.002","15.448","0.002","90","","105.844","0.003","90","","827.9","0.3","288","2","288","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","N-Carboxy-DL-leucine anhydride","4-isobutyl-1,3-oxazolidine-2,5-dione","","- C7 H11 N O3 -","- C7 H11 N O3 -","- C28 H44 N4 O12 -","4","1","CI6257","Kanazawa, Hitoshi","<i>N</i>-Carboxy-<small>DL</small>-leucine anhydride","Acta Crystallographica Section E","2003","59","9","o1309","o1311","10.1107/S1600536803017185","","","0.7107","MoKα","","0.054","0.048","","","0.152","0.159","","","","","","1.167","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202707","8.4711","0.0008","13.4082","0.0008","11.8736","0.0011","90","","99.056","0.008","90","","1331.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4-(2-indanoxy)phthalonitrile","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C68 H48 N8 O4 -","4","1","LH6110","Işık, Şamil; Köysal, Yavuz; Akdemir, Nesuhi; Cihan, Kantar; Ag̃ar, Erbil","4-(2-Indanoxy)phthalonitrile","Acta Crystallographica Section E","2003","59","10","o1481","o1482","10.1107/S1600536803019755","","","0.71073","MoKα","","0.0932","0.0491","","","0.1199","0.1283","","","","","","0.639","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202828","8.436","0.003","11.857","0.004","8.352","0.003","90","","113.96","0.03","90","","763.4","0.5","297.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C6 H20 Cl2 Cu N4 O8 -","- C6 H20 Cl2 Cu N4 O8 -","- C12 H40 Cl4 Cu2 N8 O16 -","2","0.5","OB6313","Akitsu, Takashiro; Einaga, Yasuaki","A redetermination of bis(<i>N</i>-methylethylenediamine-κ^2^<i>N,N</i>')bis(perchlorato-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2003","59","11","m991","m993","10.1107/S160053680302213X","","","0.7107","MoKα","","","0.0241","","","","0.0676","","","","","","1.075","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2202992","9.286","0.0001","19.433","0.0003","13.698","0.0002","90","","104.238","0.001","90","","2395.94","0.06","150","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C52 H70 N2 P2 Pt -","- C52 H70 N2 P2 Pt -","- C104 H140 N4 P4 Pt2 -","2","0.5","WW6109","Khan, Muhammad S.; Al-Saadi, Rahma K. M.; Male, Louise; Raithby, Paul R.; Bjernemose, Jens","<i>trans</i>-Bis(carbazol-3-ylethynyl)bis(tri-<i>n</i>-butylphosphine)platinum(II)","Acta Crystallographica Section E","2003","59","9","m774","m776","10.1107/S1600536803017872","","","0.71073","MoKα","","","0.0243","","","","0.0615","","","","","","1.034","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202996","22.329","0.002","6.9918","0.0019","11.3456","0.0008","90","","92.646","0.007","90","","1769.4","0.5","295","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","guanidinium 8-hydroxy-7-iodoquinoline-5-sulfonate hydrate","","","- C11 H18 I N7 O5 S -","- C11 H18 I N7 O5 S -","- C44 H72 I4 N28 O20 S4 -","4","1","WW6113","Smith, Graham; Wermuth, Urs D.; Healy, Peter C.","Guanidinium 8-hydroxy-7-iodoquinoline-5-sulfonate monohydrate","Acta Crystallographica Section E","2003","59","10","o1455","o1457","10.1107/S1600536803019275","","","0.7107","MoKα","","0.0408","0.0336","","","0.0911","0.0954","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203038","10.676","0.002","6.716","0.001","12.812","0.002","90","","103.77","0.01","90","","892.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","tetrasodium pentanickel arsenic-phosphorus (2.67/3.35) twentytwooxide","","- As2.64 Na4 Ni5 O22 P3.36 -","- As2.64 Na4 Ni5 O22 P3.36 -","- As5.28 Na8 Ni10 O44 P6.72 -","2","0.5","BR6129","Ben Smail, Ridha; Jouini, Tahar","Na~4~Ni~5~[(As~1{-~<i>x</i>}P~<i>x~</i>)O~4~]~2~[(As~2<i>y~</i>P~2{-~2<i>y</i>})O~7~]~2~ (<i>x</i> = 0.27 and <i>y</i> = 0.295)","Acta Crystallographica Section E","2004","60","1","i1","i2","10.1107/S1600536803027375","","","0.71073","MoKα","","0.0325","0.0241","","","0.0622","0.0652","","","","","","1.095","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203195","7.4924","0.0005","10.4589","0.0007","12.1369","0.0008","90","","107.393","0.001","90","","907.59","0.1","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Tetraaquabis(4-pyridylthioactetato)nickel(II)","","- C14 H20 N2 Ni O8 S2 -","- C14 H20 N2 Ni O8 S2 -","- C28 H40 N4 Ni2 O16 S4 -","2","0.5","HG6016","Zhang, Xian-Ming; Fang, Rui-Qin; Wu, Hai-Shun; Ng, Seik Weng","Tetraaquabis(4-pyridylthioacetato)nickel(II)","Acta Crystallographica Section E","2004","60","2","m135","m136","10.1107/S1600536803029039","","","0.71073","MoKα","","0.029","0.026","","","0.07","0.072","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203296","7.4661","0.0003","25.951","0.001","8.2342","0.0003","90","","92.604","0.001","90","","1593.75","0.11","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetra-μ-acetato-bis[aquacopper(II)]‒4,5-diazafluoren-9-one (1/2)","","- C30 H28 Cu2 N4 O12 -","- C30 H28 Cu2 N4 O12 -","- C60 H56 Cu4 N8 O24 -","2","0.5","FL6082","Zhao, Jian-She; Zhang, Rong-Lan; Yang, Shi-Yao; Ng, Seik Weng","Tetra-μ-acetato-bis[aquacopper(II)]‒4,5-diazafluoren-9-one (1/2)","Acta Crystallographica Section E","2004","60","3","m264","m266","10.1107/S1600536804001898","","","0.71073","MoKα","","0.065","0.05","","","0.108","0.114","","","","","","1.12","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203355","12.646","0.002","10.518","0.001","12.904","0.002","90","","98.703","0.002","90","","1696.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-[2-(N,N-Diethylamino)glyoxyloyl]-1H-indol-4-yl acetate monohydrate","","- C16 H20 N2 O5 -","- C16 H20 N2 O5 -","- C64 H80 N8 O20 -","4","1","WK6010","Wu, Hai-Qiang; Zhou, Jin-Lin; Huang, Zhi-Shu; Gu, Lian-Quan; Ng, Seik Weng","3-[2-(<i>N</i>,<i>N</i>-Diethylamino)glyoxyloyl]-1<i>H</i>-indol-4-yl acetate monohydrate","Acta Crystallographica Section E","2004","60","3","o337","o338","10.1107/S1600536804002211","","","0.71073","MoKα","","0.0526","0.0404","","","0.1164","0.1279","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203398","11.601","0.003","12.409","0.002","12.664","0.004","90","","115.501","0.018","90","","1645.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","1-Dimethylamino-3-dimethyliminio-1-(p-methylphenyl)prop-1-ene perchlorate","","- C14 H21 Cl N2 O4 -","- C14 H21 Cl N2 O4 -","- C56 H84 Cl4 N8 O16 -","4","1","CI6343","Girija, C. R.; Noor Shahina Begum; Sridhar, M. A.; Lokanath, N. K.; Prasad, J. S.","1-Dimethylamino-3-dimethyliminio-1-(<i>p</i>-methylphenyl)prop-1-ene perchlorate","Acta Crystallographica Section E","2004","60","4","o589","o591","10.1107/S1600536804005574","","","0.71069","MoKa","","0.1243","0.0751","","","0.2207","0.2718","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203472","7.481","0.001","10.453","0.002","12.123","0.002","90","","107.435","0.002","90","","904.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Tetraaquabis(4-pyridylthioactetato)copper(II)","","- C14 H20 Cu N2 O8 S2 -","- C14 H20 Cu N2 O8 S2 -","- C28 H40 Cu2 N4 O16 S4 -","2","0.5","NA6303","Fang, Rui-Qin; Zhang, Xian-Ming; Wu, Hai-Shun; Ng^a^, Seik Weng","Tetraaquabis(4-pyridylthioacetato)copper(II)","Acta Crystallographica Section E","2004","60","4","m401","m402","10.1107/S1600536804005331","","","0.71073","MoKα","","0.0681","0.059","","","0.1811","0.1859","","","","","","1.196","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203505","7.3772","0.0017","13.453","0.002","12.085","0.002","90","","92.026","0.018","90","","1198.6","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Bis(dimethyl sulfoxide-κO)bis(1-phenylbutane-1,3-dionate-κ^2^O,O')nickel(II)","","- C24 H30 Ni O6 S2 -","- C24 H30 Ni O6 S2 -","- C48 H60 Ni2 O12 S4 -","2","0.5","WK6011","Ernest Meštrović; Ivan Halasz; Dejan-Krešimir Bučar; Marijana Žgela","Bis(dimethyl sulfoxide-κ<i>O</i>)bis(1-phenylbutane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')nickel(II)","Acta Crystallographica Section E","2004","60","4","m367","m369","10.1107/S1600536804004854","","","0.71073","MoKα","","0.0724","0.0351","","","0.0556","0.0637","","","","","","0.95","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203506","10.068","0.0007","7.008","0.0005","14.03","0.0013","90","","106.32","0.003","90","","950.02","0.13","180","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H11 B Fe O2 -","- C10 H11 B Fe O2 -","- C40 H44 B4 Fe4 O8 -","4","1","WK6014","Bresner, Christopher; Aldridge, Simon; Fallis, Ian A.; Ooi, Li-Ling","Hydrogen-bonding motifs in the solid-state structure of ferroceneboronic acid","Acta Crystallographica Section E","2004","60","4","m441","m443","10.1107/S1600536804006014","","","0.71073","MoKα","","","0.0545","","","","0.1054","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203851","15.775","0.001","5.7314","0.0004","16.95","0.001","90","","97.726","0.001","90","","1518.59","0.17","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Poly[[diaquanickel(II)]-μ-(4-pyridysulfanyl)acetato-nickel(II)-tri- μ-(4-pyridysulfanyl)acetato]","","- C28 H28 N4 Ni2 O10 S4 -","- C28 H28 N4 Ni2 O10 S4 -","- C56 H56 N8 Ni4 O20 S8 -","2","0.5","BT6464","Huang, Yong-Qing; Zhang, Hui; Chen, Jian-Gu; Zou, Wei; Ng, Seik Weng","Poly[[diaquanickel(II)]-μ-(4-pyridysulfanyl)acetato-nickel(II)-tri-μ-(4-pyridysulfanyl)acetato]","Acta Crystallographica Section E","2004","60","7","m935","m936","10.1107/S1600536804013352","","","0.71073","MoKα","","0.056","0.048","","","0.118","0.123","","","","","","1.13","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203864","8.0753","0.0008","13.698","0.001","14.054","0.001","90","","92.639","0.002","90","","1552.9","0.2","167.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H12 Br2 -","- C20 H12 Br2 -","- C80 H48 Br8 -","4","1","CF6346","Rebecca J. Abergel; Mircea Dinca","9,10-Dibromotriptycene","Acta Crystallographica Section E","2004","60","7","o1248","o1249","10.1107/S1600536804013753","","","0.7107","MoKα","","","0.0416","","","","0.0537","","","","","","2.081","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203983","7.763","0.006","9.152","0.004","8.619","0.006","90","","98.08","0.06","90","","606.3","0.7","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","catena-Poly[silver(I)-μ-isonicotinato-κ^2^O:N]","","- C6 H4 Ag N O2 -","- C6 H4 Ag N O2 -","- C24 H16 Ag4 N4 O8 -","4","1","BT6491","Yang, Yang-Yi; Huang, Zhong-Qi; Ouyang, Gang-Feng; Ng, Seik Weng","catena-Poly[silver(I)-μ-isonicotinato-κ^2^O:N]","Acta Crystallographica, Section E","2004","60","8","m1158","m1159","10.1107/S1600536804017684","","","0.71073","MoKα","","0.103","0.058","","","0.134","0.155","","","","","","1.03","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204286","10.46","0.01","17.79","0.02","12.04","0.01","90","","109.25","0.04","90","","2115","4","296.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C48 H36 Cu2 N4 O12 -","- C48 H36 Cu2 N4 O12 -","- C96 H72 Cu4 N8 O24 -","2","0.5","CF6371","Wang, Yue; Okabe, Nobuo","Di-μ-salicylato-κ^4^<i>O</i>:<i>O</i>'-bis[(2,2'-bipyridine-κ^2^<i>N,N</i>')copper(II)] bis(salicylic acid)","Acta Crystallographica Section E","2004","60","10","m1434","m1436","10.1107/S1600536804022615","","","0.7107","MoKα","","","0.044","","","","0.131","","","","","","0.854","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204455","7.542","0.002","21.22","0.005","9.478","0.002","90","","95.836","0.004","90","","1509","0.6","295","2","295","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","catena-Poly[bis[aqua(1,10-phenanthroline)cobalt(II)]-μ~4~-1,2,4,5- benzenetetracarboxylato]","","- C34 H22 Co2 N4 O10 -","- C34 H22 Co2 N4 O10 -","- C68 H44 Co4 N8 O20 -","2","0.5","CF6381","Fu, Yun-Long; Ren, Jia-Lin; Ng, Seik Weng","<i>catena</i>-Poly[bis[aqua(1,10-phenanthroline)cobalt(II)]-μ~4~-1,2,4,5-benzenetetracarboxylato]","Acta Crystallographica Section E","2004","60","11","m1716","m1718","10.1107/S1600536804026765","","","0.71073","MoKα","","0.1071","0.0739","","","0.1757","0.1946","","","","","","1.081","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204574","12.767","0.003","7.346","0.002","13.133","0.005","90","","90.66","0.03","90","","1231.6","0.6","298","1","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C32 H22 Cu N4 O2 -","- C32 H22 Cu N4 O2 -","- C64 H44 Cu2 N8 O4 -","2","0.5","TK6188","Akitsu, Takashiro; Einaga, Yasuaki","Bis[2-(quinolin-3-yliminomethyl)phenolato-κ^2^<i>N,O</i>]copper(II)","Acta Crystallographica Section E","2004","60","11","m1552","m1554","10.1107/S1600536804023591","","","0.7107","MoKα","","","0.039","","","","0.112","","","","","","0.998","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204906","7.953","0.001","20.468","0.003","7.945","0.0009","90","","99.516","0.008","90","","1275.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","o-nitrophenyl o-toluenesulfonate","2-Nitrophenyl 4-toluenesulfonate","","- C13 H11 N O5 S -","- C13 H11 N O5 S -","- C52 H44 N4 O20 S4 -","4","1","IS6025","Vadivelu Manivannan; Nagarajan Vembu; Maruthai Nallu; Kandasamy Sivakumar; Fronczek R. Frank","2-Nitrophenyl 4-toluenesulfonate: supramolecular aggregation through weak C—H···O, C—H···π and π‒π interactions","Acta Crystallographica Section E","2005","61","1","o118","o120","10.1107/S1600536804032477","","","0.71073","MoKα","","0.1071","0.0612","","","0.1791","0.1867","","","","","","0.982","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204991","12.2994","0.0018","11.6445","0.0017","13.66","0.002","90","","113.909","0.002","90","","1788.5","0.5","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","Aqua[bis(5-bromosalicylidene)ethylenediaminato]chloromanganese(III)","aqua{4,4'-dibromo-2,2'-[1,2- ethanediylbis(nitrilomethylidyne)]diphenolato]chloromanganese(III)), [Mn(C~16~H~12~Br~2~N~2~O~2~)Cl(H~2~O)]","","- C16 H14 Br2 Cl Mn N2 O3 -","- C16 H14 Br2 Cl Mn N2 O3 -","- C64 H56 Br8 Cl4 Mn4 N8 O12 -","4","1","BR6176","Dang, Li-Long; Huo, Yong-Qian; Wang, Wei; Li, Jun","Aqua[bis(5-bromosalicylidene)ethylenediaminato]chloromanganese(III)","Acta Crystallographica Section E","2005","61","2","m332","m334","10.1107/S1600536805000942","","","0.71073","MoKα","","0.082","0.0726","","","0.1586","0.1641","","","","","","1.191","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205105","10.433","0.001","7.458","0.001","7.238","0.001","90","","113.3","0.02","90","","517.25","0.14","14","","14","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1,3,5-triazine-2,4,6-triamine","","- C3 H6 N6 -","- C3 H6 N6 -","- C12 H24 N24 -","4","1","LH6307","Cousson, A.; Nicolaï, B.; Fillaux, F.","Melamine (1,3,5-triazine-2,4,6-triamine): a neutron diffraction study at 14K","Acta Crystallographica Section E","2005","61","2","o222","o224","10.1107/S160053680403332X","","neutron","0.831","neutron","","0.0557","0.0467","","0.0438","0.0434","0.0434","","","","","","1.1111","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205527","7.836","0.002","16.833","0.004","8.49","0.002","90","","96.72","0.02","90","","1112.2","0.5","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-bromobenzophenone","2-Bromobenzophenone","","- C13 H9 Br O -","- C13 H9 Br O -","- C52 H36 Br4 O4 -","4","1","KP6034","Baumer, Vyacheslav N.; Romashkin, Roman V.; Strzhemechny, Mikhail A.; Avdeenko, Anatoly A.; Pyshkin, Oleg S.; Zubatyuk, Roman I.; Buravtseva, Lyubov M.","2-Bromobenzophenone","Acta Crystallographica Section E","2005","61","4","o1170","o1172","10.1107/S1600536805009190","","","0.71073","MoKα","","","0.0383","","","","0.0641","","","","","","0.94","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205563","16.688","0.004","12.946","0.003","19.178","0.004","90","","111.97","0.02","90","","3842.4","1.6","93.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Bis[3,5-di-tert-butyl-2-hydroxybenzoato-κO]bis(dimethyl sulfoxide-κO)zinc(II)","","- C34 H54 O8 S2 Zn -","- C34 H54 O8 S2 Zn -","- C136 H216 O32 S8 Zn4 -","4","1","OB6486","Makino, Takashi; Mizuguchi, Jin","Bis[3,5-di-<i>tert</i>-butyl-2-hydroxybenzoato-κ<i>O</i>]bis(dimethyl sulfoxide-κ<i>O</i>)zinc(II)","Acta Crystallographica Section E","2005","61","4","m679","m681","10.1107/S1600536805007397","","","1.5418","CuKα","","","0.0584","","","","0.1703","","","","","","0.472","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2205702","9.608","0.0019","22.856","0.004","10.2908","0.0017","90","","98.353","0.016","90","","2235.9","0.7","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H29 N O5 -","- C24 H29 N O5 -","- C96 H116 N4 O20 -","4","1","ER6008","Våbenø, Jon; Ingebrigtsen, Truls; Lejon, Tore; Luthman, Kristina; Hansen, Lars Kr.","Benzyl-5-[<i>N</i>-(<i>tert</i>-butoxycarbonyl)amino]-4-oxo-6-phenylhexanoate","Acta Crystallographica Section E","2005","61","5","o1331","o1332","10.1107/S1600536805010895","","","0.71069","MoKα","","0.1193","0.0354","","","0.0816","0.0987","","","","","","0.912","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206202","12.296","0.001","10.587","0.002","17.164","0.002","90","","99.77","0.03","90","","2202","0.6","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","4-{[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-[(2,6- dimethylphenyl)aminocarbonylmethyl]piperazine","","- C23 H26 Cl N5 O2 -","- C23 H26 Cl N5 O2 -","- C92 H104 Cl4 N20 O8 -","4","1","HG6196","Wang, Hai-Bo; Pu, Yue-Qing; Chen, Jia-Hui; Wang, Jin-Tang","4-{[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-[(2,6-dimethylphenyl)aminocarbonylmethyl]piperazine","Acta Crystallographica Section E","2005","61","7","o1994","o1996","10.1107/S1600536805017228","","","0.71073","MoKα","","0.1047","0.0577","","","0.1674","0.2011","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206308","7.4467","0.0016","6.1343","0.0011","22.72","0.003","90","","92.508","0.019","90","","1036.9","0.3","298","2","298","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","4-(2-Naphthyl)pyrimidine","","- C14 H10 N2 -","- C14 H10 N2 -","- C56 H40 N8 -","4","1","TK6230","Ingebrigtsen, Truls; Lejon, Tore; Hansen, Lars Kr.","4-(2-Naphthyl)pyrimidine","Acta Crystallographica Section E","2005","61","7","o2256","o2257","10.1107/S1600536805019306","","","0.71069","MoKα","","0.187","0.04","","","0.071","0.097","","","","","","0.82","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206792","8.467","0.002","13.808","0.003","14.453","0.002","90","","106.62","0.02","90","","1619.1","0.6","300","2","300","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C26 H32 N4 P4 O12","Bis(4,4'-diphenylmethylendiammonium) cyclotetraphosphate","","- C26 H32 N4 O12 P4 -","- C26 H32 N4 O12 P4 -","- C52 H64 N8 O24 P8 -","2","0.5","SJ6128","Nahouane, Rachid; Soumhi, El Hassane; Saadoune, Ismael; Driss, Ahmed","4,4'-Methylenedianilinium hemi(cyclotetraphosphate)","Acta Crystallographica Section E","2005","61","9","o2850","o2852","10.1107/S1600536805025043","","","0.71073","MoKα","","0.0506","0.0384","","","0.11","0.1176","","","","","","1.079","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2207001","13.64","0.0003","8.79","0.0003","15.231","0.0005","90","","100.697","0.001","90","","1794.4","0.09","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","2,4-Pentanedionatobis(dimethylaminoethanol)nickel(II) chloride","","- C13 H29 Cl N2 Ni O4 -","- C13 H29 Cl N2 Ni O4 -","- C52 H116 Cl4 N8 Ni4 O16 -","4","1","LH6466","Sohail, Manzar; Kieran C. Molloy; Mazhar, Muhammad; G. Kociok-Köhn; Khosa, M. Kaleem","Bis[2-(dimethylamino)ethanol-κ^2^<i>N</i>,<i>O</i>](pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')nickel(II) chloride","Acta Crystallographica Section E","2005","61","10","m2001","m2002","10.1107/S1600536805028424","","","0.71073","MoKα","","0.0681","0.0498","","","0.122","0.1369","","","","","","1.069","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207075","12.0231","0.0019","5.7685","0.0008","14.434","0.002","90","","114.393","0.011","90","","911.7","0.2","296","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","4-Amino-5-(2-hydroxyphenyl)-2H-1,2,4-triazole-3(4H)-thione","","- C8 H8 N4 O S -","- C8 H8 N4 O S -","- C32 H32 N16 O4 S4 -","4","1","TK6257","Dinçer, Muharrem; Özdemir, Namık; Çetin, Ahmet; Cansız, Ahmet; Şekerci, Memet","4-Amino-5-(2-hydroxyphenyl)-2<i>H</i>-1,2,4-triazole-3(4<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","10","o3214","o3216","10.1107/S1600536805027972","","","0.71073","MoKα","","0.046","0.038","","","0.106","0.11","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207788","11.1239","0.001","9.0159","0.0007","11.9664","0.0009","90","","113.97","0.007","90","","1096.63","0.17","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","5-Methyl-3-(5-methylisoxazol-3-yl)cyclohex-2-enone","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","HG6281","K. R. Scott; Butcher, Ray J.; Hanson, Clive D.","5-Methyl-3-(5-methylisoxazol-3-yl)cyclohex-2-enone","Acta Crystallographica Section E","2006","62","1","o215","o217","10.1107/S1600536805040766","","","1.5418","CuKα","","0.0606","0.0523","","","0.1309","0.1426","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208156","14.821","0.003","9.656","0.002","8.365","0.002","90","","92.46","0.03","90","","1196","0.4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","N-(2-Chlorophenyl)benzenesulfonamide","","- C12 H10 Cl N O2 S -","- C12 H10 Cl N O2 S -","- C48 H40 Cl4 N4 O8 S4 -","4","1","SG2002","Perlovich, German L.; Tkachev, Valery V.; Schaper, Klaus-Jürgen; Raevsky, Oleg A.","<i>N</i>-(2-Chlorophenyl)benzenesulfonamide","Acta Crystallographica Section E","2006","62","2","o780","o782","10.1107/S1600536806002303","","","0.71073","MoKα","","0.0506","0.0347","","","0.0959","0.1003","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208347","11.6903","0.0002","12.4357","0.0002","17.6041","0.0003","90","","91.753","0.001","90","","2558.03","0.07","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Bis(tert-butyl isocyanide)-1κ^2^C-di-μ-carbonyl-2:3κ^4^C-octacarbonyl- 1κ^2^C,2κ^3^C,3κ^3^C-triangulo-diironosmium","","- C20 H18 Fe2 N2 O10 Os -","- C20 H18 Fe2 N2 O10 Os -","- C80 H72 Fe8 N8 O40 Os4 -","4","1","HG6301","Tegel, Marcus; Evans, Cameron; Farrugia, Louis J.","Bis(<i>tert</i>-butyl isocyanide)-1κ^2^<i>C</i>-di-μ-carbonyl-2:3κ^4^<i>C</i>-octacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-<i>triangulo</i>-diironosmium","Acta Crystallographica Section E","2006","62","3","m478","m479","10.1107/S1600536806004247","","","0.71073","MoKα","","0.0262","0.0206","","","0.0411","0.0421","","","","","","1.1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208450","9.0766","0.0003","12.2646","0.0004","6.1689","0.0002","90","","104.548","0.0016","90","","664.71","0.04","298","","295","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Dipotassium hexaaquairon(II) bis(sulfate)","","- Fe H12 K2 O14 S2 -","- Fe H12 K2 O14 S2 -","- Fe2 H24 K4 O28 S4 -","2","0.5","WM6137","Ballirano, Paolo; Belardi, Girolamo","Rietveld refinement of the Tutton salt K~2~[Fe(H~2~O)~6~](SO~4~)~2~","Acta Crystallographica Section E","2006","62","3","i58","i60","10.1107/S1600536806005514","","","1.54178","CuKα","","","","","","","","","","1.04","","","","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208489","10.7585","0.0007","13.5889","0.0009","11.6754","0.0007","90","","96.971","0.001","90","","1694.28","0.19","376","2","376","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H16 Br2 O2 S -","- C17 H16 Br2 O2 S -","- C68 H64 Br8 O8 S4 -","4","1","AT2020","Ray J. Butcher; Yathirajan, H. S.; Sarojini, B. K.; Narayana, B.; Mithun, A.","2,3-Dibromo-1-(4-methoxyphenyl)-3-[4-(methylsulfanyl)phenyl]propan-1-one","Acta Crystallographica Section E","2006","62","4","o1629","o1630","10.1107/S1600536806010944","","","0.71073","MoKα","","0.0574","0.0347","","","0.0771","0.0857","","","","","","1.006","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208827","6.908","0.002","6.29","0.004","15.06","0.006","90","","95.57","0.03","90","","651.3","0.5","290","2","290","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","6-Bromopyridine-2-carbaldehyde","","- C6 H4 Br N O -","- C6 H4 Br N O -","- C24 H16 Br4 N4 O4 -","4","1","CI2041","Huan-Xia Zhang; Da-Bin Qin; Lin-Hai Jing; Shao-Jin Gu; Zhi-Hua Mao","6-Bromopyridine-2-carbaldehyde","Acta Crystallographica Section E","2006","62","5","o1715","o1716","10.1107/S1600536806011615","","","0.71073","MoKα","","0.0841","0.0384","","","0.0872","0.0993","","","","","","0.987","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208870","10.7111","0.0012","4.415","0.0006","14.9541","0.0018","90","","95.053","0.014","90","","704.42","0.15","203","2","203","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","2-(Cyclohexa-1,4-dienyl)acetic acid","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","DN2025","Therrien, Bruno; Süss-Fink, Georg","2-(Cyclohexa-1,4-dienyl)acetic acid","Acta Crystallographica Section E","2006","62","5","o1877","o1878","10.1107/S1600536806013158","","","0.71073","MoKα","","0.0599","0.043","","","0.1105","0.122","","","","","","0.977","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208963","7.709","0.001","15.959","0.002","16.007","0.002","90","","90.49","0.01","90","","1969.2","0.4","170","2","170","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","propafenone hydrochloride","N-{(2RS)-2-Hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl}propanaminium chloride","","- C21 H28 Cl N O3 -","- C21 H28 Cl N O3 -","- C84 H112 Cl4 N4 O12 -","4","1","OB2009","Bambagiotti-Alberti, Massimo; Bruni, Bruno; Costantino, Ferdinando; Di Vaira, Massimo; Giannellini, Valerio","<i>N</i>-{(2<i>RS</i>)-2-Hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl}propanaminium chloride","Acta Crystallographica Section E","2006","62","5","o1694","o1695","10.1107/S1600536806011408","","","1.5418","CuKα","","0.0869","0.0483","","","0.1132","0.123","","","","","","0.924","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209313","7.8442","0.0012","18.365","0.003","10.7516","0.0018","90","","105.781","0.007","90","","1490.5","0.4","294","2","294","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1-[4,6-Dimethoxy-2-(4-hydroxyphenyl)-1-benzofuran-3-yl]ethanone","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","SJ2057","Xiao-Xiao Li; Yu-Ping Wei; Ye-Fei Nan; Chang-Hua Hua; Liang-Dong Sun","1-[2-(4-Hydroxyphenyl)-4,6-dimethoxy-1-benzofuran-3-yl]ethanone","Acta Crystallographica Section E","2006","62","6","o2385","o2386","10.1107/S160053680601734X","","","0.7107","MoKα","","0.0709","0.048","","","0.1328","0.1471","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209545","8.6561","0.0009","17.7944","0.0018","9.309","0.0011","90","","117.22","0.03","90","","1275.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-(2-Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline","","- C13 H16 Cl N O3 -","- C13 H16 Cl N O3 -","- C52 H64 Cl4 N4 O12 -","4","1","HK2054","Yong Ling; Hao Xu; Zhi-Hong Zou; Cheng Yao","2-(2-Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section E","2006","62","7","o2775","o2777","10.1107/S1600536806021374","","","0.71073","MoKα","","0.1011","0.0532","","","0.1163","0.1406","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2211232","10.3685","0.0008","25.5118","0.0019","10.5823","0.0008","90","","100.091","0.006","90","","2755.9","0.4","120","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","μ-Benzene-1,2,4,5-tetracarboxylato-bis[aquabis(2,2'-bipyridine)cobalt(II)] dodecahydrate","","- C50 H62 Co2 N8 O22 -","- C50 H62 Co2 N8 O22 -","- C100 H124 Co4 N16 O44 -","2","0.5","WN2062","Tabatabaee, Masoumeh; Ghassemzadeh, Mitra; Rezaie, Fatemeh; Khavasi, Hamid Reza; Amini, Mostafa M.","μ-Benzene-1,2,4,5-tetracarboxylato-bis[aquabis(2,2'-bipyridine)cobalt(II)] dodecahydrate","Acta Crystallographica Section E","2006","62","11","m2784","m2785","10.1107/S1600536806039559","","","0.71073","MoKα","","","0.0292","","","","0.0681","","","","","","1.063","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211484","9.205","0.004","11.311","0.004","13.489","0.005","90","","102.19","0.03","90","","1372.8","0.9","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-Acetyl-2-(4-methylphenyl)cyclohex-2-en-1-one oxime","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","JH2044","M. Periasamy; J. C. Jebaraj; J. Suresh; A. Ponnuswamy; S. Natarajan","3-Acetyl-2-(4-methylphenyl)cyclohex-2-en-1-one oxime","Acta Crystallographica Section E","2006","62","12","o5920","o5922","10.1107/S1600536806049713","","","0.71073","MoKα","","0.0994","0.0631","","","0.1654","0.1923","","","","","","1.024","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211804","12.6019","0.0006","7.178","0.0004","17.6949","0.0009","90","","94.783","0.003","90","","1595.04","0.14","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(2-Pyridylmethyl)adamantane-1-ammonium chloride monohydrate","","- C16 H25 Cl N2 O -","- C16 H25 Cl N2 O -","- C64 H100 Cl4 N8 O4 -","4","1","EZ2053","Yun-Qian Zhang; Xin Xiao; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","<i>N</i>-(2-Pyridylmethyl)adamantane-1-ammonium chloride monohydrate","Acta Crystallographica Section E","2007","63","1","o256","o258","10.1107/S1600536806051907","","","0.71073","MoKα","","0.057","0.041","","","0.113","0.131","","","","","","1.08","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211858","9.488","0.004","10.894","0.005","17.871","0.007","90","","96.03","0.02","90","","1837","1.4","110","2","110","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(2,2-Dicyclohexylacetato)trimethyltin(IV)","","- C17 H32 O2 Sn -","- C17 H32 O2 Sn -","- C68 H128 O8 Sn4 -","4","1","HK2175","Cheikh Abdoul Khadir, Diop; Assane, Touré; Libasse, Diop; Tinant, Bernard; Mahieu, Bernard","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-2,2-dicyclohexylacetato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2007","63","1","m258","m260","10.1107/S1600536806053967","","","0.71069","MoKα","","0.0377","0.0368","","","0.1022","0.1027","","","","","","1.253","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212106","9.8351","0.0007","11.3996","0.0008","10.426","0.0007","90","","95.079","0.003","90","","1164.33","0.14","113","2","113","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2'-(1,3-Benzodioxol-5-ylmethylene)furan-2-carbohydrazide","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C52 H40 N8 O16 -","4","1","CI2279","Zhou, Qing-Li; Wang, Chang-Lu; Jing, Zuo-Liang","2'-(1,3-Benzodioxol-5-ylmethylene)furan-2-carbohydrazide","Acta Crystallographica Section E","2007","63","2","o898","o899","10.1107/S160053680700308X","","","0.7107","MoKα","","0.0729","0.0439","","","0.106","0.1596","","","","","","1.072","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212151","9.25625","0.00005","12.36268","0.00006","6.22496","0.00003","90","","105.309","0.0004","90","","687.058","0.006","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Dirubidium hexaaquacopper bis(sulfate)","","- Cu H12 O14 Rb2 S2 -","- Cu H12 O14 Rb2 S2 -","- Cu2 H24 O28 Rb4 S4 -","2","0.5","FI2025","Ballirano, Paolo; Belardi, Girolamo","Rietveld refinement of the Tutton's salt Rb~2~[Cu(H~2~O)~6~](SO~4~)~2~ from parallel-beam X-ray powder diffraction data","Acta Crystallographica Section E","2007","63","2","i56","i58","10.1107/S1600536807002656","","","1.54179","CuKα","","","","","","","","","","2.46","","","","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2212161","13.112","0.013","8.35","0.008","13.299","0.013","90","","90.721","0.007","90","","1456","2","123.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","5-Benzyl-1,3,5-trimethylpyrimidine-2,4,6(1H,3H,5H)-trithione","","- C14 H16 N2 S3 -","- C14 H16 N2 S3 -","- C56 H64 N8 S12 -","4","1","FL2091","Takechi, Haruko; Kubo, Kanji; Takahashi, Hajime; Matsumoto, Taisuke","5-Benzyl-1,3,5-trimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trithione","Acta Crystallographica Section E","2007","63","2","o701","o703","10.1107/S1600536807000888","","","0.7107","MoKα","","","0.0279","","","","0.0892","","","","","","1.055","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212176","15.8202","0.0005","7.6963","0.0003","7.4449","0.0003","90","","101.293","0.002","90","","888.92","0.06","293","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","eakerite","dicalcium tin dialuminosilicate dihydroxide dihydrate","","- Al2 Ca2 H6 O22 Si6 Sn -","- Al2 Ca2 H6 O22 Si6 Sn -","- Al4 Ca4 H12 O44 Si12 Sn2 -","2","0.5","HB2229","Uchida, Hinako; Downs, Robert T.; Thompson, Richard M.","Reinvestigation of eakerite, Ca~2~SnAl~2~Si~6~O~18~(OH)~2~·2H~2~O: H-atom positions by single-crystal X-ray diffraction and correlation with Raman spectroscopic data","Acta Crystallographica Section E","2007","63","2","i47","i49","10.1107/S1600536807002000","","","0.71073","MoKα","","0.0358","0.0267","","","0.0625","0.0656","","","","","","1.05","","","","has coordinates","282541","2023-04-10","17:11:17",""
"2212549","11.3","0.004","5.5286","0.0018","16.141","0.005","90","","106.856","0.018","90","","965.1","0.6","153.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1,4-Bis(1-naphthylmethyl)piperazine","","- C26 H26 N2 -","- C26 H26 N2 -","- C52 H52 N4 -","2","0.5","FL2101","Kubo, Kanji; Yamamoto, Emi; Hayakawa, Akinori; Sakurai, Tadamitsu; Mori, Akira","1,4-Bis(1-naphthylmethyl)piperazine","Acta Crystallographica Section E","2007","63","3","o1347","o1348","10.1107/S1600536807007118","","","1.54187","CuKα","","","0.0742","","","","0.2493","","","","","","1.23","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212597","11.9699","0.0013","12.3375","0.0015","17.8027","0.0018","90","","100.192","0.008","90","","2587.6","0.5","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1,9'-Dimethyl-2',4'-diphenyl-4',9'-dihydro-2'H-spiro[indoline-3,3'- thiopyrano[2,3-b]indole]-2-thione","","- C32 H26 N2 S2 -","- C32 H26 N2 S2 -","- C128 H104 N8 S8 -","4","1","HJ3029","Hojabri, Leila; Matloubi, Firouz M.; Khavasi, Hamid Reza","1,9'-Dimethyl-2',4'-diphenyl-4',9'-dihydro-2'<i>H</i>-spiro[indoline-3,3'-thiopyrano[2,3-<i>b</i>]indole]-2-thione","Acta Crystallographica Section E","2007","63","3","o1306","o1307","10.1107/S1600536807006174","","","0.71073","MoKα","","0.0528","0.045","","","0.116","0.1212","","","","","","1.056","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213003","8.5557","0.0003","25.013","0.0008","12.2675","0.0004","90","","104.415","0.003","90","","2542.64","0.15","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","irbesartan chloride 1.69-hydrate","2-Butyl-4-oxo-3-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3-aza-1- azoniaspiro[4.4]non-1-ene chloride 1.69-hydrate","","- C25 H32.38 Cl N6 O2.69 -","- C25 H32.372 Cl N6 O2.686 -","- C100 H129.488 Cl4 N24 O10.744 -","4","1","SJ2227","Bartolucci, Gianluca; Bruni, Bruno; Di Vaira, Massimo; Giannellini, Valerio","2-Butyl-4-oxo-3-{[2'-(1<i>H</i>-tetrazol-5-yl)biphenyl-4-yl]methyl}-3-aza-1-azoniaspiro[4.4]non-1-ene chloride 1.69-hydrate (irbesartan hydrochloride 1.69-hydrate)","Acta Crystallographica Section E","2007","63","4","o1529","o1531","10.1107/S1600536807008951","","","1.5418","CuKα","","0.0605","0.0499","","","0.1338","0.1393","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2213108","12.2284","0.0003","8.0986","0.0003","13.1376","0.0004","90","","91.336","0.002","90","","1300.7","0.07","160","2","160","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","phenylcyclohexanone","1-Methyl-5-(3-nitrophenyl)-3-oxocyclohexanecarbonitrile","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","1","AT2280","M. Subramanyam; A. Thiruvalluvar; R. T. Sabapathy Mohan; S. Kamatchi","1-Methyl-5-(3-nitrophenyl)-3-oxocyclohexanecarbonitrile","Acta Crystallographica Section E","2007","63","5","o2717","o2717","10.1107/S1600536807020399","","","0.71073","MoKα","","0.0897","0.056","","","0.1412","0.1628","","","","","","1.049","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2213223","16.471","0.003","9.879","0.004","22.065","0.008","90","","109.362","0.017","90","","3387","2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1-(4-Methoxyphenyl)-3,3-bis(methylsulfanyl)-2-phenylprop-2-en-1-one","","- C18 H18 O2 S2 -","- C18 H18 O2 S2 -","- C144 H144 O16 S16 -","8","2","CI2339","K. Palani; M. N. Ponnuswamy; P. Jaisankar; P. C. Srinivasan","1-(4-Methoxyphenyl)-3,3-bis(methylsulfanyl)-2-phenylprop-2-en-1-one","Acta Crystallographica Section E","2007","63","5","o2373","o2374","10.1107/S1600536807015590","","","0.71073","MoKα","","0.1327","0.0582","","","0.1406","0.172","","","","","","1.023","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213443","15.5198","0.001","14.7573","0.0012","15.6383","0.0014","90","","119.537","0.007","90","","3116.2","0.5","294","1","294","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(2RS)-3-(4-Hydroxyphenyl)-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)propanoic acid monohydrate","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C136 H136 N8 O40 -","8","2","LH2339","Gallagher, John F.; Brady, Fiona","(2<i>RS</i>)-3-(4-Hydroxyphenyl)-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)propanoic acid monohydrate","Acta Crystallographica Section E","2007","63","5","o2207","o2210","10.1107/S1600536807014158","","","0.71073","MolybdenumKα","","0.123","0.0492","","","0.1111","0.1269","","","","","","0.96","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2213890","8.2095","0.0001","12.9738","0.0002","18.8054","0.0003","90","","93.2975","0.0007","90","","1999.62","0.05","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,5-Bis(2-naphthylmethylsulfanyl)-1-thia-3,4-diazacyclopenta-2,5-diene","","- C24 H18 N2 S3 -","- C24 H18 N2 S3 -","- C96 H72 N8 S12 -","4","1","LH2391","How, Fiona N.-F.; Watkin, David J.; Crouse, Karen A.; M. Ibrahim M. Tahir","2,5-Bis(2-naphthylmethylsulfanyl)-1-thia-3,4-diazacyclopenta-2,5-diene","Acta Crystallographica Section E","2007","63","6","o2913","o2913","10.1107/S1600536807024257","","","0.71073","MoKα","","0.0344","0.0344","","0.0724","0.0724","0.0724","","","","","","0.9815","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214067","9.1267","0.0003","8.2114","0.0003","17.2304","0.0009","90","","91.151","0.004","90","","1291.04","0.09","203","2","203","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","substituted-carbazole","Methyl 9-methyl-1-oxo-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","BQ2018","A. Thiruvalluvar; A. Thomas Gunaseelan; A. Ebenezer Martin; K. J. Rajendra Prasad; R.J. Butcher","Methyl 9-methyl-1-oxo-2,3,4,9-tetrahydro-1<i>H</i>-carbazole-2-carboxylate","Acta Crystallographica Section E","2007","63","7","o3093","o3093","10.1107/S160053680702644X","","","0.71073","MoKα","","0.0917","0.0669","","","0.1657","0.1772","","","","","","1.138","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214175","8.8953","0.0002","22.4365","0.0005","9.2114","0.0001","90","","93.921","0.002","90","","1834.1","0.06","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","6-Bromo-5,8-dimethyl-2,2-diphenyl-2H-1-benzopyran","6-Bromo-5,8-dimethyl-2,2-diphenyl-2<i>H</i>-1-benzopyran","","- C23 H19 Br O -","- C23 H19 Br O -","- C92 H76 Br4 O4 -","4","1","DN3054","Shilova, Ekaterina A.; Bougdid, Lahoussine; Pèpe, Gérard; Moustrou, Corinne","6-Bromo-5,8-dimethyl-2,2-diphenyl-2<i>H</i>-1-benzopyran","Acta Crystallographica Section E","2007","63","7","o3341","o3341","10.1107/S1600536807030796","","","0.71073","MoKα","","0.0678","0.0462","","","0.1033","0.1146","","","","","","1.029","","","","has coordinates,has Fobs","209311","2020-10-21","18:00:00",""
"2214276","11.0793","0.0005","23.3836","0.001","12.8133","0.0005","90","","117.746","0.001","90","","2937.9","0.2","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Dibromido(η^5^-pentamethylcyclopentadienyl)(5-\ phenyldibenzophosphole-κP)iridium(III) dichloromethane solvate","","- C29 H30 Br2 Cl2 Ir P -","- C29 H30 Br2 Cl2 Ir P -","- C116 H120 Br8 Cl8 Ir4 P4 -","4","1","IS2170","Mai Kotera; Takayoshi Suzuki","Dibromido(η^5^-pentamethylcyclopentadienyl)(5-phenyldibenzophosphole-κ<i>P</i>)iridium(III) dichloromethane solvate","Acta Crystallographica Section E","2007","63","7","m1818","m1818","10.1107/S1600536807026621","","","0.71075","MoKα","","0.0429","0.0398","","","0.1233","0.1256","","","","","","1.081","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214295","13.0527","0.0003","7.8222","0.0002","16.4471","0.0004","90","","104.29","0.0012","90","","1627.3","0.07","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-Naphthylmethyl N-(3-pyridylmethylene)hydrazinecarbodithioate","","- C18 H15 N3 S2 -","- C18 H15 N3 S2 -","- C72 H60 N12 S8 -","4","1","LH2397","How, Fiona N. F.; Watkin, David J.; Crouse, Karen A.; M. Ibrahim M. Tahir","2-Naphthylmethyl <i>N</i>-(3-pyridylmethylene)hydrazinecarbodithioate","Acta Crystallographica Section E","2007","63","7","o3133","o3134","10.1107/S1600536807025676","","","0.71073","MoKα","","0.0861","0.0565","","0.1982","0.1786","0.1976","","","","","","0.8205","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214425","9.4383","0.0006","12.7605","0.0012","6.313","0.0006","90","","106.199","0.007","90","","730.14","0.11","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Caesium hexaaquacopper sulfate","Dicaesium hexaaquacopper(II) bis[sulfate(VI)]","","- Cs2 Cu H12 O14 S2 -","- Cs2 Cu H12 O14 S2 -","- Cs4 Cu2 H24 O28 S4 -","2","0.5","WM2127","Paolo Ballirano; Girolamo Belardi; Ferdinando Bosi","Redetermination of the Tutton's salt Cs~2~[Cu(H~2~O)~6~](SO~4~)~2~","Acta Crystallographica Section E","2007","63","7","i164","i165","10.1107/S1600536807029790","","","0.71073","MoKα","","0.0419","0.0335","","0.0847","","0.0805","","","","","","1.091","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215200","11.0782","0.0019","9.6177","0.0019","13.352","0.003","90","","96.511","0.009","90","","1413.4","0.5","295","2","295","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","trans-3-(2-Chloro-3-quinolyl)-1-phenyl-2,3-epoxypropan-1-one","","- C18 H12 Cl N O2 -","- C18 H12 Cl N O2 -","- C72 H48 Cl4 N4 O8 -","4","1","LH2468","Raouf Boulcina; Sofiane Bouacida; Thierry Roisnel; Abdelmadjid Debache","<i>trans</i>-3-(2-Chloro-3-quinolyl)-1-phenyl-2,3-epoxypropan-1-one","Acta Crystallographica Section E","2007","63","9","o3795","o3796","10.1107/S1600536807039335","","","0.71073","MoKα","","0.0686","0.0439","","","0.0989","0.1093","","","","","","1.018","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215998","7.268","0.0008","7.5916","0.0011","18.038","0.002","90","","91.25","0.03","90","","995","0.2","294","2","294","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","(Z)-5-(2-Chlorobenzylidene)thiazolidine-2,4-dione","","- C10 H6 Cl N O2 S -","- C10 H6 Cl N O2 S -","- C40 H24 Cl4 N4 O8 S4 -","4","1","HK2342","Sun, Hong-shun; He, Wei; Xu, Ye-ming; Tang, Shi-gui; Guo, Cheng","(<i>Z</i>)-5-(2-Chlorobenzylidene)thiazolidine-2,4-dione","Acta Crystallographica Section E","2007","63","11","o4325","o4325","10.1107/S1600536807049756","","","0.71073","MoKα","","0.1229","0.0678","","","0.1464","0.1727","","","","","","1.008","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216044","13.515","0.001","12.8743","0.001","15.2839","0.0009","90","","94.037","0.005","90","","2652.7","0.3","294","1","294","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","N-Ferrocenylmethyl-2-(3-methylstyryl)-N'-methylbenzimidazolium hexafluorophosphate","","- C28 H27 F6 Fe N2 P -","- C28 H27 F6 Fe N2 P -","- C112 H108 F24 Fe4 N8 P4 -","4","1","LH2519","Gallagher, John F.; Hanlon, Keith; Howarth, Joshua","<i>N</i>-Ferrocenylmethyl-2-(3-methylstyryl)-<i>N</i>'-methylbenzimidazolium hexafluorophosphate","Acta Crystallographica Section E","2007","63","11","m2649","m2649","10.1107/S1600536807047769","","","0.71073","MolybdenumKα","","0.0953","0.0466","","","0.0952","0.1128","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2216589","13.0081","0.0009","8.1407","0.0005","13.758","0.001","90","","107.522","0.005","90","","1389.31","0.17","150","2","150","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","3-Benzylidene-8-methoxy-6-methylchroman-4-one","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","IS2223","A. Marx; R. Suresh; Charles Christoper Kanagam; V. Manivannan; Büyükgüngör, Orhan","3-Benzylidene-8-methoxy-6-methylchroman-4-one","Acta Crystallographica Section E","2007","63","12","o4530","o4530","10.1107/S1600536807053019","","","0.71073","MoKα","","0.0604","0.0387","","","0.0924","0.0991","","","","","","1.027","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216738","6.2745","0.0007","14.6008","0.0015","14.0154","0.0011","90","","94.39","0.03","90","","1280.2","0.2","298","2","298","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","6-Methyl-3-p-tolyl-3,4-dihydroquinazoline","","- C16 H16 N2 -","- C16 H16 N2 -","- C64 H64 N8 -","4","1","RT2006","Tian, Wen-Wen; Dong, Su-Lan; Xu, Jia-Ying; Ding, Shan; Wang, Jin-Tang","6-Methyl-3-<i>p</i>-tolyl-3,4-dihydroquinazoline","Acta Crystallographica Section E","2007","63","12","o4734","o4734","10.1107/S1600536807057534","","","0.71073","MoKα","","0.1382","0.0757","","","0.1688","0.2003","","","","","","1.071","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216764","7.478","0.0006","15.822","0.002","12.6372","0.0013","90","","94.149","0.009","90","","1491.3","0.3","296","","296","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(6Z)-3-Diethylamino-6-(3-hydroxyanilinomethylene)cyclohexa-2,4-dien-1-one","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","SJ2389","Jasinski, Jerry P.; Butcher, Ray J.; Narayana, B.; Swamy, M. T.; Yathirajan, H. S.","(6<i>Z</i>)-3-Diethylamino-6-(3-hydroxyanilinomethylene)cyclohexa-2,4-dien-1-one","Acta Crystallographica Section E","2007","63","12","o4566","o4567","10.1107/S1600536807053652","","","0.71073","MoKα","","0.2058","0.0826","","","0.2054","0.2699","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217590","13.4349","0.0001","23.8601","0.0001","21.7174","0.0001","90","","96.8568","0.0004","90","","6911.9","0.07","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Bis{4-[(<i>Z</i>)-N'-(4-hydroxybenzylidene)hydrazino]-8-\ (trifluoromethyl)quinolinium} sulfate dihydrate","","- C34 H30 F6 N6 O8 S -","- C34 H30 F6 N6 O8 S -","- C272 H240 F48 N48 O64 S8 -","8","2","NC2084","Jasinski, Jerry P.; Butcher, Ray J.; Narayana, B.; Sunil, K.; Yathirajan, H. S.","Bis{4-[(<i>Z</i>)-<i>N</i>'-(4-hydroxybenzylidene)hydrazino]-8-(trifluoromethyl)quinolinium} sulfate dihydrate","Acta Crystallographica Section E","2008","64","2","o481","o482","10.1107/S1600536808000561","","","1.54184","CuKα","","0.0494","0.0428","","","0.1217","0.1272","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217597","11.9581","0.0017","15.165","0.002","12.3953","0.0018","90","","105.357","0.013","90","","2167.6","0.5","290","2","290","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3<i>H</i>-xanthene-1,8(2<i>H</i>,7<i>H</i>)-dione","","- C23 H26 Cl2 O4 -","- C23 H26 Cl2 O4 -","- C92 H104 Cl8 O16 -","4","1","NG2413","Mohammadi Ziarani, Ghodsi; Abbasi, Alireza; Badiei, Alireza; Haddadpour, Mahboubeh; Abdi Jahangir, Ali","9-(2,3-Dichlorophenyl)-4a-hydroxy-3,3,6,6-tetramethyl-4,4a,5,6,9,9a-hexahydro-3<i>H</i>-xanthene-1,8(2<i>H</i>,7<i>H</i>)-dione","Acta Crystallographica Section E","2008","64","2","o519","o519","10.1107/S1600536808002183","","","0.71073","MoKα","","0.1375","0.0596","","","0.1472","0.1619","","","","","","0.851","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218387","13.694","0.013","6.888","0.006","16.929","0.016","90","","112.417","0.012","90","","1476","2","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1-Phenyl-6,7,8,9-hexahydro-1H,5H-cyclohepta[1',2':2,3]pyrido[6,5-c]pyrazol- 4-amine","","- C17 H18 N4 -","- C17 H18 N4 -","- C68 H72 N16 -","4","1","DN2339","Zhang, Lijun; Shi, Daxin; Li, Jiarong; Zhang, Ling; Fan, Yanqiu","1-Phenyl-6,7,8,9-hexahydro-1<i>H</i>,5<i>H</i>-cyclohepta[1',2':2,3]pyrido[6,5-<i>c</i>]pyrazol-4-amine: a new tacrine analogue","Acta Crystallographica Section E","2008","64","6","o1056","","10.1107/S1600536808013366","","","0.7107","MoKα","","0.0832","0.0637","","","0.1501","0.1622","","","","","","1.127","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218629","9.389","0.002","4.782","0.001","29.126","0.007","90","","104.256","0.007","90","","1267.4","0.5","293","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","zinc(II) pentanoate","poly[di-μ-pentanoato-zinc(II)]","","- C10 H18 O4 Zn -","- C10 H18 O4 Zn -","- C40 H72 O16 Zn4 -","4","1","CF2188","Taylor, Richard A.; Ellis, Henry A.","Anhydrous polymeric zinc(II) pentanoate","Acta Crystallographica Section E","2008","64","7","m895","","10.1107/S1600536808008283","","","0.71073","MoKα","","0.0711","0.0619","","","0.1215","0.1255","","","","","","1.167","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219999","18.6878","0.001","17.108","0.0009","25.2742","0.0013","90","","109.924","0.001","90","","7596.8","0.7","295","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Tris[μ-1,2-bis(diphenylphosphino)ethane]-1:2κ^2^<i>P</i>:<i>P</i>'; 1:3κ^2^<i>P</i>:<i>P</i>';2:3κ^2^<i>P</i>:<i>P</i>'-di-μ-bromido- 1:2κ^4^Br:Br-bromido-3κBr-tricopper(I) acetone hemisolvate","","- C79.5 H75 Br3 Cu3 O0.5 P6 -","- C79.5 H75 Br3 Cu3 O0.5 P6 -","- C318 H300 Br12 Cu12 O2 P24 -","4","1","SJ2547","Shi, Wen-Juan","Tris[μ-1,2-bis(diphenylphosphino)ethane]-1:2κ^2^<i>P</i>:<i>P</i>';1:3κ^2^<i>P</i>:<i>P</i>';2:3κ^2^<i>P</i>:<i>P</i>'-di-μ-bromido-1:2κ^4^<i>Br</i>:<i>Br</i>-bromido-3κ<i>Br</i>-tricopper(I) acetone hemisolvate","Acta Crystallographica Section E","2008","64","11","m1411","","10.1107/S1600536808032789","","","0.71073","MoKα","","0.0918","0.0508","","","0.1162","0.14","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2220739","8.898","0.0005","19.461","0.0008","12.282","0.0005","90","","100.607","0.001","90","","2090.46","0.17","173","1","173","1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1,4-Bis[(3,5-dimethoxyphenyl)ethynyl]benzene","","- C26 H22 O4 -","- C26 H22 O4 -","- C104 H88 O16 -","4","1","CI2753","Ono, Katsuhiko; Nakagawa, Koki; Tomura, Masaaki","1,4-Bis[(3,5-dimethoxyphenyl)ethynyl]benzene","Acta Crystallographica Section E","2009","65","2","o346","","10.1107/S160053680900155X","","","0.71073","MoKα","","0.0595","0.0483","","","0.1308","0.1397","","","","","","1.113","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220744","10.7332","0.0007","9.9358","0.0005","11.0753","0.0007","90","","116.201","0.008","90","","1059.74","0.13","200","2","200","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-(2,6-Dioxopiperidin-3-yl)-3-azabicyclo[3.2.0]heptane-2,4-dione","","- C11 H12 N2 O4 -","- C11 H12 N2 O4 -","- C44 H48 N8 O16 -","4","1","CS2103","Hijji, Yousef M.; Benjamin, Ellis; Benjamin, Earl; Butcher, Ray J.; Jasinski, Jerry P.","3-(2,6-Dioxopiperidin-3-yl)-3-azabicyclo[3.2.0]heptane-2,4-dione","Acta Crystallographica Section E","2009","65","2","o394","o395","10.1107/S1600536809002839","","","0.71073","MoKα","","0.0617","0.0386","","","0.0981","0.1075","","","","","","0.99","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220908","6.6615","0.0001","16.4317","0.0004","9.5258","0.0002","90","","95.6881","0.0014","90","","1037.56","0.04","150","1","150","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","<i>catena</i>-Poly[1-ethyl-3-methylimidazolium [tri-μ-chlorido-chromate(II)]]","","- C6 H11 Cl3 Cr N2 -","- C6 H11 Cl3 Cr N2 -","- C24 H44 Cl12 Cr4 N8 -","4","1","SI2146","Danford, James J.; Arif, Atta M.; Berreau, Lisa M.","Poly[1-ethyl-3-methylimidazolium [tri-μ-chlorido-chromate(II)]]","Acta Crystallographica Section E","2009","65","2","m227","","10.1107/S1600536809002281","","","0.71073","MoKα","","0.0321","0.0262","","","0.0613","0.0642","","","","","","1.084","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220909","13.309","0.006","14.088","0.006","14.101","0.006","90","","109.676","0.006","90","","2489.5","1.9","150","1","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","{6,6'-Dimethoxy-2,2'-[<i>o</i>- phenylenebis(nitrilomethylidyne)]diphenolato}cobalt(II) dichloromethane disolvate","","- C24 H22 Cl4 Co N2 O4 -","- C24 H22 Cl4 Co N2 O4 -","- C96 H88 Cl16 Co4 N8 O16 -","4","1","SI2147","Nabei, Atsuhiro; Kuroda-Sowa, Takayoshi; Okubo, Takashi; Maekawa, Masahiko; Munakata, Megumu","{6,6'-Dimethoxy-2,2'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}cobalt(II) dichloromethane disolvate","Acta Crystallographica Section E","2009","65","2","m188","m189","10.1107/S160053680900083X","","","0.7107","MoKα","","","0.0463","","","","0.0886","","","","","","1.149","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2221126","10.1061","0.0003","13.3383","0.0004","14.2229","0.0003","90","","90.189","0.002","90","","1917.21","0.09","294","2","294","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","<i>rac</i>-(2<i>R*</i>,3<i>S</i>*,5<i>S*</i>,6<i>R*</i>,7<i>S*</i>, 8<i>S</i>*)-7,8-Dichlorobicyclo[2.2.2]octane-2,3,5,6-tetrayl tetraacetate","","- C16 H20 Cl2 O8 -","- C16 H20 Cl2 O8 -","- C64 H80 Cl8 O32 -","4","1","KP2205","Şahin, Ertan; Baran, Arif; Balcı, Metin","<i>rac</i>-(2<i>R*</i>,3<i>S</i>*,5<i>S*</i>,6<i>R*</i>,7<i>S*</i>,8<i>S</i>*)-7,8-Dichlorobicyclo[2.2.2]octane-2,3,5,6-tetrayl tetraacetate","Acta Crystallographica Section E","2009","65","3","o526","o527","10.1107/S160053680900484X","","","0.71073","MoKα","","0.0654","0.0647","","","","0.1571","","","","","","1.322","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222379","13.121","0.004","9.816","0.003","20.198","0.007","90","","100.033","0.013","90","","2561.6","1.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","<i>catena</i>-Poly[[(ethanol-κ<i>O</i>)sodium(I)]-di-μ-aqua- [(<i>rac</i>-2'-hydroxy-1,1'-binaphthyl-2-yl phosphato-κ<i>O</i>)sodium]- tri-μ-aqua]","","- C22 H29 Na2 O11 P -","- C22 H29 Na2 O11 P -","- C88 H116 Na8 O44 P4 -","4","1","IS2427","Tachibana, Yuya; Maeda, Yasukatsu","<i>catena</i>-Poly[[(ethanol-κ<i>O</i>)sodium(I)]-di-μ-aqua-[(<i>rac</i>-2'-hydroxy-1,1'-binaphthyl-2-yl phosphato-κ<i>O</i>)sodium]-tri-μ-aqua]","Acta Crystallographica Section E","2009","65","7","m753","","10.1107/S1600536809021394","","","0.71075","MoKα","","0.0435","0.0372","","","0.1076","0.1141","","","","","","1.053","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224900","12.6949","0.0008","6.6596","0.0004","12.8529","0.0009","90","","98.672","0.011","90","","1074.2","0.12","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ethyl 4-(dimethylamino)benzoate","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C44 H60 N4 O8 -","4","1","CI2998","Sundar, J. Kalyana; Natarajan, V.; Arivanandhan, M.; Hayakawa, Y.; Natarajan, S.","Ethyl 4-(dimethylamino)benzoate","Acta Crystallographica Section E","2010","66","2","o355","","10.1107/S160053680905541X","","","0.71073","MoKα","","0.0633","0.0432","","","0.1242","0.1341","","","","","","1.048","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227248","6.6237","0.0002","21.5007","0.0006","14.5544","0.0004","90","","97.539","0.003","90","","2054.84","0.1","110","2","110","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","<i>catena</i>-Poly[[[{5,5'-dimethoxy-2,2'-[ethane-1,2- diylbis(nitrilomethylidyne)]diphenolato}manganese(III)]-μ-acetato] methanol monosolvate]","","- C21 H25 Mn N2 O7 -","- C21 H25 Mn N2 O7 -","- C84 H100 Mn4 N8 O28 -","4","1","BT5366","Assey, Gervas E.; Butcher, Anand M.; Butcher, Ray J.; Gultneh, Yilma","<i>catena</i>-Poly[[[{5,5'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}manganese(III)]-μ-acetato] methanol monosolvate]","Acta Crystallographica Section E","2010","66","11","m1384","m1385","10.1107/S160053681003984X","","","0.71073","MoKα","","0.0579","0.0498","","","0.1319","0.1348","","","","","","1.028","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228277","13.8774","0.0006","14.5321","0.0004","4.9305","0.0002","90","","90.83","0.003","90","","994.22","0.06","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","10-Methylisoalloxazine 5-oxide","10-methylbenzo[<i>g</i>]pteridine-2,4(3<i>H</i>,10<i>H</i>)-dione 5-oxide","","- C11 H8 N4 O3 -","- C11 H8 N4 O3 -","- C44 H32 N16 O12 -","4","1","CV5002","Rohlíček, Jan; Cibulka, Radek; Cibulková, Jana; Maixner, Jaroslav; Hušák, Michal","10-Methylisoalloxazine 5-oxide from synchrotron powder diffraction data","Acta Crystallographica Section E","2010","66","12","o3350","o3351","10.1107/S1600536810048932","powder diffraction","","0.8856","synchrotron","","","","","","","","","","2.67","","","","","","","has coordinates","176789","2020-10-21","18:00:00",""
"2229236","10.487","0.0003","9.076","0.0003","13.493","0.0005","90","","97.755","0.002","90","","1272.52","0.07","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","<i>N</i>-(2-Hydroxy-1,1-dimethylethyl)-4-methylbenzenesulfonamide","","- C11 H17 N O3 S -","- C11 H17 N O3 S -","- C44 H68 N4 O12 S4 -","4","1","SJ5093","Aziz-ur-Rehman; Yasin, Amina; Akkurt, Mehmet; Abbas, Nadia; Abbasi, Muhammad Athar; Khan, Islam Ullah","<i>N</i>-(2-Hydroxy-1,1-dimethylethyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","2","o295","","10.1107/S1600536811000614","","","0.71073","MoKα","","0.0619","0.0448","","","0.1201","0.135","","","","","","1.013","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229245","9.4788","0.0005","10.1893","0.0006","19.9139","0.001","90","","92.296","0.004","90","","1921.79","0.18","294","2","294","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3,5-Bis(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C92 H88 N8 O8 -","4","1","SU2245","Baktır, Zeliha; Akkurt, Mehmet; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.","3,5-Bis(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2011","67","2","o328","o329","10.1107/S1600536811000687","","","0.71073","MoKα","","0.1944","0.062","","","0.1372","0.1839","","","","","","0.898","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229357","7.7214","0.0004","20.7043","0.0014","10.6398","0.0007","90","","109.299","0.002","90","","1605.36","0.17","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Bis (2-Amino-3-carboxypyrazin-1-ium) sulfate dihydrate.","Bis(2-amino-3-carboxypyrazin-1-ium) sulfate dihydrate","","- C10 H16 N6 O10 S -","- C10 H16 N6 O10 S -","- C40 H64 N24 O40 S4 -","4","1","DN2656","Berrah, Fadila; Ouakkaf, Amira; Bouacida, Sofiane; Roisnel, Thierry","Bis(2-amino-3-carboxypyrazin-1-ium) sulfate dihydrate","Acta Crystallographica Section E","2011","67","3","o677","o678","10.1107/S1600536811005824","","","0.71073","MoKα","","0.0423","0.0353","","","0.092","0.0963","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229848","8.8812","0.0009","9.0025","0.0009","11.8995","0.0005","90","","104.318","0.005","90","","921.85","0.14","290","","290","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ammonium piperidine-1-carbodithioate","","- C6 H14 N2 S2 -","- C6 H14 N2 S2 -","- C24 H56 N8 S8 -","4","1","SU2257","Mafud, Ana C.; Gambardella, Maria T. P.","Ammonium piperidine-1-carbodithioate","Acta Crystallographica Section E","2011","67","4","o879","","10.1107/S1600536811008129","","","0.71073","MoKα","","","0.0423","","","","0.123","","","","","","1.062","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2230881","12.241","0.005","5.909","0.005","14.69","0.005","90","","95.519","0.005","90","","1057.6","1.1","290","2","290","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Sodium piperidine-1-carbodithioate dihydrate","Sodium piperidine-1-carbodithioate dihydrate","","- C6 H14 N Na O2 S2 -","- C6 H14 N Na O2 S2 -","- C24 H56 N4 Na4 O8 S8 -","4","1","SU2283","Mafud, Ana C.; Gambardella, Maria Teresa P.","Sodium piperidine-1-carbodithioate dihydrate","Acta Crystallographica Section E","2011","67","7","m942","","10.1107/S1600536811022604","","","0.71073","MoKα","","0.0679","0.0538","","","","0.1516","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231215","9.131","0.005","19.333","0.005","11.291","0.005","90","","99.247","0.005","90","","1967.3","1.5","291","2","291","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","<i>p</i>-Tolyl bis(cyclohexylamido)phosphinate","1-{[bis(phenylamino)phosphoryl]oxy}-4-methylbenzene","","- C19 H31 N2 O2 P -","- C19 H31 N2 O2 P -","- C76 H124 N8 O8 P4 -","4","1","LH5287","Raissi Shabari, Akbar; Pourayoubi, Mehrdad; Taghizadeh, Afsaneh; Ghoreishi, Farnaz; Vahdani, Banafsheh","<i>p</i>-Tolyl bis(cyclohexylamido)phosphinate","Acta Crystallographica Section E","2011","67","8","o2167","","10.1107/S1600536811029722","","","0.71069","MoKα","","0.1755","0.0517","","","0.0704","0.0903","","","","","","0.76","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231813","9.76453","0.00004","9.69622","0.00004","10.95952","0.00004","90","","101.766","0.0002","90","","1015.83","0.007","297","","298","","101.325","","","","","","","4","P 1 21/a 1","-P 2yab","14","Lithium cobalt(II) pyrophosphate","Lithium cobalt(II) pyrophosphate","","- Co Li1.865 O7 P2 -","- Co Li1.865 O7 P2 -","- Co8 Li14.92 O56 P16 -","8","2","BR2175","Zhou, Hui; Upreti, Shailesh; Chernova, Natasha A.; Whittingham, M. Stanley","Lithium cobalt(II) pyrophosphate, Li~1.86~CoP~2~O~7~, from synchrotron X-ray powder data","Acta Crystallographica Section E","2011","67","10","i58","i59","10.1107/S1600536811038451","powder diffraction","","0.413988","Synchrotron","","","","","","","","","","1.62","","","","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2232229","7.6883","0.0006","22.8748","0.0018","10.1","0.0007","90","","100.493","0.009","90","","1746.6","0.2","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Dichlorido(furfurylamine-κ<i>N</i>)(η^6^-hexamethylbenzene)ruthenium(II)","","- C17 H25 Cl2 N O Ru -","- C17 H25 Cl2 N O Ru -","- C68 H100 Cl8 N4 O4 Ru4 -","4","1","FF2034","Garci, Amine; Thai, Trieu-Tien; Süss-Fink, Georg; Therrien, Bruno","Dichlorido(furfurylamine-κ<i>N</i>)(η^6^-hexamethylbenzene)ruthenium(II)","Acta Crystallographica Section E","2011","67","11","m1592","","10.1107/S1600536811043170","","","0.71073","MoKα","","0.0443","0.0328","","","0.0776","0.0805","","","","","","0.938","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233662","10.4785","0.0001","12.9336","0.0002","4.7308","0.0001","90","","105.054","0.001","90","","619.137","0.018","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Kovdorskite","dimagnesium phosphate hydroxide trihydrate","","- H7 Mg2 O8 P -","- H7 Mg2 O8 P -","- H28 Mg8 O32 P4 -","4","1","WM2577","Morrison, Shaunna M.; Downs, Robert T.; Yang, Hexiong","Redetermination of kovdorskite, Mg~2~PO~4~(OH)·3H~2~O","Acta Crystallographica Section E","2012","68","2","i12","i13","10.1107/S1600536812000256","","","0.71073","MoKα","","0.0266","0.0222","","","0.0544","0.0564","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235282","6.841","0.003","27.069","0.009","7.231","0.003","90","","109.413","0.005","90","","1262.9","0.9","270.1","","270","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","calcium tetrathiodigallate(III)","","- Ca Ga2 S4 -","- Ca Ga2 S4 -","- Ca8 Ga16 S32 -","8","2","WM2605","Suzuki, Akihiro; Takizawa, Takeo; Hidaka, Chiharu; Shigetaka, Nomura; Kitajima, Ittetsu","A novel monoclinic phase of impurity-doped CaGa~2~S~4~ as a phosphor with high emission intensity","Acta Crystallographica Section E","2012","68","6","i42","","10.1107/S1600536812019113","","","0.71075","MoKα","","","0.0379","","","","0.0497","","","","","","1.205","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236414","16.2689","0.0019","3.9357","0.0004","19.951","0.0019","90","","109.499","0.003","90","","1204.2","0.2","223","","223","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","2,6-dimethoxy-9,10-anthraquinone","2,6-dimethoxyanthracene-9,10-dione","","- C16 H12 O4 -","- C16 H12 O4 -","- C64 H48 O16 -","4","1","KJ2210","Ohta, Akira; Hattori, Kazuki; Kobayashi, Takashi; Naito, Hiroyoshi; Kawase, Takeshi; Kitamura, Chitoshi","2,6-Dimethoxy-9,10-anthraquinone","Acta Crystallographica Section E","2012","68","10","o2843","","10.1107/S1600536812037361","","","0.71073","MoKα","","0.0983","0.057","","","0.139","0.1783","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236780","10.3609","0.0003","7.87","0.0002","17.7948","0.0007","90","","93.043","0.002","90","","1448.95","0.08","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","<i>N</i>-Ferrocenylmethyl-2-nitroaniline","","- C17 H16 Fe N2 O2 -","- C17 H16 Fe N2 O2 -","- C68 H64 Fe4 N8 O8 -","4","1","ZQ2180","Rahim, Oumelkheir; Khelef, Abdelhamid; Terki, Belgacem; Mahboub, Mohammed Sadok; Lanez, Touhami","<i>N</i>-Ferrocenylmethyl-2-nitroaniline","Acta Crystallographica Section E","2012","68","10","m1318","","10.1107/S1600536812039177","","","0.71073","MoKα","","0.0286","0.0251","","","0.0666","0.0692","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237021","6.456","0.0002","13.0664","0.0003","15.8559","0.0004","90","","91.028","0.002","90","","1337.34","0.06","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","1-[(1<i>Z</i>)-1-Ferrocenylethylidene]thiocarbonohydrazide","","- C13 H16 Fe N4 S -","- C13 H16 Fe N4 S -","- C52 H64 Fe4 N16 S4 -","4","1","SJ5273","Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Ishaq, Muhammad; Alamry, Khalid A.; Shafiq, Muhammad","1-[(<i>Z</i>)-1-Ferrocenylethylidene]thiocarbonohydrazide","Acta Crystallographica Section E","2012","68","12","m1439","","10.1107/S1600536812044078","","","1.54184","CuKα","","0.0631","0.0529","","","0.1438","0.1548","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238399","14.541","0.005","6.052","0.005","32.633","0.005","90","","101.871","0.005","90","","2810","3","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1-[(<i>E</i>)-2-(2-Hydroxy-5-methylphenyl)diazen-2-ium-1-yl]naphthalen-2-olate","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","2","LR2112","Chetioui, Souheyla; Boudraa, Issam; Bouacida, Sofiane; Bouchoul, Abdelkader; Bouaoud, Salah Eddine","1-[(<i>E</i>)-2-(2-Hydroxy-5-methylphenyl)diazen-2-ium-1-yl]naphthalen-2-olate","Acta Crystallographica Section E","2013","69","8","o1322","o1323","10.1107/S160053681302014X","","","0.71073","MoKα","","0.1454","0.0683","","","0.1649","0.2019","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238659","7.3847","0.0003","25.2814","0.0015","6.1097","0.0003","90","","94.85","0.02","90","","1136.57","0.1","295","2","295","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Tamarugite","Sodium aluminium bis(sulfate) hexahydrate","","- Al H12 Na O14 S2 -","- Al H12 Na O14 S2 -","- Al4 H48 Na4 O56 S8 -","4","1","PJ2005","Mereiter, Kurt","Redetermination of tamarugite, NaAl(SO~4~)~2~·6H~2~O","Acta Crystallographica Section E","2013","69","10","i63","i64","10.1107/S1600536813025154","","","0.71073","MoKα","","0.0339","0.025","","","0.0582","0.0612","","","","","","1.141","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2238850","10.8728","0.0007","13.4403","0.001","9.0695","0.0006","90","","103.68","0.005","90","","1287.76","0.16","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","(C7H10NO)2.SnBr6.2H2O","Bis(2-methoxyanilinium) hexabromidostannate(IV) dihydrate","","- C14 H24 Br6 N2 O4 Sn -","- C14 H24 Br6 N2 O4 Sn -","- C28 H48 Br12 N4 O8 Sn2 -","2","0.5","CV5437","Chouaib, Hassen; Karoui, Sahel; Kamoun, Slaheddine; Michaud, Francois","Bis(2-methoxyanilinium) hexabromidostannate(IV) dihydrate","Acta Crystallographica Section E","2013","69","12","m678","m679","10.1107/S1600536813031681","","","0.71073","MoKα","","0.0695","0.0611","","","0.1484","0.1561","","","","","","1.069","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239057","14.6046","0.0005","10.8008","0.0003","16.3151","0.0006","90","","107.39","0.004","90","","2455.93","0.15","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Bis(1,10-phenanthrolin-1-ium) tetrachloridozincate monohydrate","","- C24 H20 Cl4 N4 O Zn -","- C24 H20 Cl4 N4 O Zn -","- C96 H80 Cl16 N16 O4 Zn4 -","4","1","SU2681","Govindan, E.; Thirumurugan, Subramani; Ganeshraja, Ayyakannu Sundaram; Anbalagan, Krishnamoorthy; SubbiahPandi, A.","Bis(1,10-phenanthrolin-1-ium) tetrachloridozincate monohydrate","Acta Crystallographica Section E","2014","70","2","m53","","10.1107/S1600536814000208","","","0.71073","MoKα","","0.0456","0.0305","","","0.0624","0.0679","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239092","7.6037","0.0002","16.8934","0.0004","8.6574","0.0003","90","","111.303","0.003","90","","1036.08","0.06","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Diaquabis(2-ethyl-5-methylimidazole-4-sulfonato-κ^2^<i>N</i>^3^,<i>O</i>)nickel(II) dihydrate","","- C12 H26 N4 Ni O10 S2 -","- C12 H26 N4 Ni O10 S2 -","- C24 H52 N8 Ni2 O20 S4 -","2","0.5","","Purdy, Andrew P.; Butcher, Ray J.","Diaquabis(2-ethyl-5-methylimidazole-4-sulfonato-κ^2^<i>N</i>^3^,<i>O</i>)nickel(II) dihydrate","Acta Crystallographica Section E","2014","70","1","m18","m19","10.1107/S1600536813032169","","","1.54178","CuKα","","0.048","0.0448","","","0.111","0.1123","","","","","","1.177","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240188","12.9207","0.0012","19.2867","0.0017","22.977","0.002","90","","98.6792","0.0018","90","","5660.2","0.9","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","{3-[3,5-Bis(2,6-dimethylphenyl)-1,2-phenylene]-1-(2,6,2'',6''-tetramethyl-1,1':3',1''-terphenyl-5'-yl)imidazol-2-ylidene}chlorido(η^6^-<i>p</i>-cymene)ruthenium(II) benzene disolvate","","- C69 H69 Cl N2 Ru -","- C69 H69 Cl N2 Ru -","- C276 H276 Cl4 N8 Ru4 -","4","1","IS5379","Sase, Shohei; Ikehara, Yuriko; Goto, Kei","Crystal structure of {3-[3,5-bis(2,6-dimethylphenyl)-1,2-phenylene]-1-(2,6,2'',6''-tetramethyl-1,1':3',1''-terphenyl-5'-yl)imidazol-2-ylidene}chlorido(η^6^-<i>p</i>-cymene)ruthenium(II) benzene disolvate","Acta Crystallographica Section E","2014","70","12","m394","","10.1107/S160053681402399X","","","0.71075","MoKα","","0.0382","0.0318","","","0.0874","0.092","","","","","","1.086","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240459","11.557","0.005","21.663","0.005","11.579","0.005","90","","105.974","0.005","90","","2787","1.8","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Trichlorido(4'-ferrocenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')iridium(III) acetonitrile disolvate","","- C29 H25 Cl3 Fe Ir N5 -","- C29 H25 Cl3 Fe Ir N5 -","- C116 H100 Cl12 Fe4 Ir4 N20 -","4","1","WM5126","Davaasuren, Bambar; Padhy, Harihara; Rothenberger, Alexander","Crystal structure of trichlorido(4'-ferrocenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')iridium(III) acetonitrile disolvate","Acta Crystallographica Section E","2015","71","3","m69","m70","10.1107/S2056989015003473","","","0.71073","MoKα","","0.0666","0.0359","","","0.0661","0.0758","","","","","","1.019","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2241175","15.7097","0.0012","7.83","0.0005","21.2351","0.0019","90","","92.635","0.008","90","","2609.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","1-(2-Hydroxy-5-methoxyphenyl)ethanone 4,4-dimethylthiosemicarbazone","","- C12 H17 N3 O2 S -","- C12 H17 N3 O2 S -","- C96 H136 N24 O16 S8 -","8","2","CV5496","Anderson, Brian J.; Freedman, Michael B.; Smolenski, Victoria A.; Jasinski, Jerry P.","The crystal structure of 1-(2-hydroxy-5-methoxyphenyl)ethanone 4,4-dimethylthiosemicarbazone","Acta Crystallographica Section E","2015","71","11","o811","o812","10.1107/S2056989015018228","","","0.71073","MoKα","","0.1127","0.0782","","","0.1956","0.2237","","","","","","1.063","","","","has coordinates,has Fobs","159557","2020-10-21","18:00:00",""
"2241361","16.7752","0.0017","5.7573","0.001","12.2887","0.0013","90","","105.68","0.007","90","","1142.7","0.3","297","","297","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","<i>cis</i>-2-Amino-1,2-diphenylethanol","<i>cis</i>-2-Amino-1,2-diphenylethanol","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","SU5243","Fujii, Isao","Crystal structure of racemic <i>cis</i>-2-amino-1,2-diphenylethanol (ADE)","Acta Crystallographica Section E","2015","71","12","1539","1541","10.1107/S2056989015022318","","","1.54178","CuKα","","0.0422","0.0366","","","0.0999","0.1054","","","","","","1.028","","","","has coordinates,has Fobs","170595","2020-10-21","18:00:00",""
"2242604","14.8002","0.0015","7.4029","0.0016","16.0091","0.0016","90","","96.395","0.008","90","","1743.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","3,5-Dinitrosalicylic acid‒phenazine (1/1)","3,5-Dinitrosalicylic acid‒phenazine (1/1)","","- C19 H12 N4 O7 -","- C19 H12 N4 O7 -","- C76 H48 N16 O28 -","4","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.1521","0.0437","","","0.0681","0.0825","","","","","","1.08","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242672","13.956","0.0004","8.2829","0.0002","19.9532","0.0006","90","","95.475","0.001","90","","2295.99","0.11","190","2","190","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","4-(Thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenylmethylester","","- C25 H25 N O5 S -","- C25 H25 N O5 S -","- C100 H100 N4 O20 S4 -","4","1","MW2138","Mishnev, Anatoly; Bisenieks, Egils; Mandrika, Ilona; Petrovska, Ramona; Kalme, Zenta; Bruvere, Imanta; Duburs, Gunars","Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenylmethylester","Acta Crystallographica Section E","2018","74","11","1577","1579","10.1107/S2056989018014251","","","0.71073","MoKα","","0.1426","0.0648","","","0.1409","0.1664","","","","","","1.029","","","","has coordinates,has disorder","211458","2020-10-21","18:00:00",""
"2243343","8.9995","0.0005","16.7778","0.0011","12.3595","0.0008","90","","98.892","0.006","90","","1843.8","0.2","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Ethyl 3-(4-chlorophenyl)-1,6-dimethyl-4-methylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate","","- C18 H18 Cl N3 O2 S -","- C18 H18 Cl N3 O2 S -","- C72 H72 Cl4 N12 O8 S4 -","4","1","LH5946","Rao, H. Surya Prakash; Gunasundari, Ramalingam; Muthukumaran, Jayaraman","Crystal structure analysis of ethyl 3-(4-chlorophenyl)-1,6-dimethyl-4-methylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate","Acta Crystallographica Section E","2020","76","3","443","445","10.1107/S2056989020002479","","","0.71073","MoKα","","0.0674","0.0487","","","0.1459","0.1614","","","","","","1.104","","","","has coordinates,has Fobs","250391","2020-10-21","18:00:00",""
"2243531","11.7054","0.0007","13.9151","0.0007","13.3273","0.0008","90","","110.347","0.002","90","","2035.3","0.2","93","","93","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","<i>fac</i>-Bromidotricarbonyl(diethyl 2,2'-bipyridine-4,4'-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')manganese(I)","","- C19 H16 Br Mn N2 O7 -","- C19 H16 Br Mn N2 O7 -","- C76 H64 Br4 Mn4 N8 O28 -","4","1","DJ2012","Kanno, Takatoshi; Takase, Tsugiko; Oyama, Dai","Synthesis and crystal structures of manganese(I) carbonyl complexes bearing ester-substituted α-diimine ligands","Acta Crystallographica Section E","2020","76","9","1433","1436","10.1107/S2056989020010750","","","0.71075","MoKα","","0.0425","0.0365","","","0.0937","0.0977","","","","","","1.069","","","","has coordinates,has Fobs","255254","2020-10-21","18:00:00",""
"2243557","7.1048","0.0004","5.3003","0.0003","11.9035","0.0007","90","","111.225","0.005","90","","417.85","0.04","240","2","240","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Sodium propionate","Poly[(μ~5~-propanoato)sodium(I)]","","- C3 H5 Na O2 -","- C3 H5 Na O2 -","- C12 H20 Na4 O8 -","4","1","WM5573","Fábry, Jan; Samolová, Erika","Layered alkali propanoates <i>M</i>^+^(C~2~H~5~COO)^{-^}; <i>M</i>^+^ = Na^+^, K^+^, Rb^+^, Cs^+^","Acta Crystallographica Section E","2020","76","9","1508","1513","10.1107/S2056989020011469","","x-ray","1.54178","CuKα","","0.0594","0.0504","","","0.1341","0.1364","","","","4.13","4.13","3.6","","","","has coordinates,has Fobs","255741","2020-10-21","18:00:00",""
"2300229","12.88606","0.00018","9.38115","0.00012","7.10099","0.0001","90","","115.701","0.0008","90","","773.484","0.019","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300230","12.88559","0.00019","9.38013","0.00012","7.10096","0.0001","90","","115.7","0.0009","90","","773.38","0.02","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300231","12.8865","0.0002","9.3822","0.00017","7.10147","0.00014","90","","115.702","0.0011","90","","773.65","0.03","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300232","12.89","0.00019","9.38466","0.00013","7.10325","0.00011","90","","115.702","0.0009","90","","774.26","0.02","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300233","12.8863","0.0002","9.38162","0.00015","7.10158","0.00013","90","","115.701","0.0011","90","","773.61","0.02","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300234","12.8871","0.0004","9.3824","0.0003","7.1018","0.0003","90","","115.703","0.002","90","","773.73","0.05","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300235","12.8905","0.0002","9.38488","0.00016","7.10342","0.00013","90","","115.701","0.0011","90","","774.32","0.03","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300236","12.887","0.0003","9.3819","0.0002","7.1015","0.00017","90","","115.701","0.0014","90","","773.66","0.03","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300237","12.8858","0.0006","9.3812","0.0004","7.1013","0.0004","90","","115.703","0.003","90","","773.5","0.07","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300238","12.889","0.0002","9.38347","0.00017","7.10271","0.00014","90","","115.702","0.0011","90","","774.04","0.03","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300239","12.8856","0.0003","9.3812","0.0002","7.10114","0.00018","90","","115.697","0.0015","90","","773.5","0.04","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300240","12.8844","0.0016","9.3824","0.0012","7.1025","0.001","90","","115.709","0.008","90","","773.6","0.18","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300241","12.8887","0.0004","9.384","0.0003","7.1025","0.0002","90","","115.702","0.002","90","","774.05","0.04","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300242","12.8869","0.0006","9.3833","0.0004","7.1022","0.0004","90","","115.706","0.003","90","","773.82","0.06","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300243","12.656","0.005","9.564","0.003","7.236","0.002","90","","117.1","0.02","90","","779.7","0.5","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300244","12.885","0.002","9.3862","0.0015","7.1008","0.0014","90","","115.714","0.014","90","","773.8","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300245","12.864","0.008","9.354","0.005","7.104","0.006","90","","115.83","0.05","90","","769.4","1","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300272","9.849","0.0002","12.3828","0.0002","3.99952","0.00007","90","","102.126","0.002","90","","476.891","0.015","298","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-amino-5-mercapto-1,2,4-triazole","","- C2 H4 N4 S -","- C2 H4 N4 S -","- C8 H16 N16 S4 -","4","1","","Pagola, Silvina; Stephens, Peter W.","<i>PSSP</i>, a computer program for the crystal structure solution of molecular materials from X-ray powder diffraction data","Journal of Applied Crystallography","2010","43","2","370","376","10.1107/S0021889810005509","powder diffraction","","1.1497","synchrotron","","","","","","","","0.06619","0.0491","1.27","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300650","8.084","0.0006","5.9051","0.0004","8.5731","0.0013","90","","123.484","0.005","90","","341.33","0.07","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.17799","","0.56","","","","","","","has coordinates","246043","2020-10-21","18:00:00",""
"2300651","7.3886","0.0014","5.6145","0.0009","8.2776","0.0026","90","","125.706","0.012","90","","278.83","0.12","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.16602","","0.5","","","","","","","has coordinates","246044","2020-10-21","18:00:00",""
"2300652","7.4494","0.0013","5.6208","0.0008","8.2917","0.0026","90","","125.494","0.011","90","","282.67","0.12","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.14248","","0.5","","","","","","","has coordinates","246045","2020-10-21","18:00:00",""
"2300653","7.6472","0.0008","5.684","0.0005","8.389","0.0017","90","","125.028","0.007","90","","298.6","0.08","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.1371","","0.6","","","","","","","has coordinates","246046","2020-10-21","18:00:00",""
"2300654","7.8031","0.0007","5.7597","0.0004","8.4596","0.0015","90","","124.507","0.006","90","","313.31","0.07","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.13049","","0.56","","","","","","","has coordinates","246047","2020-10-21","18:00:00",""
"2300655","7.5578","0.0009","5.6554","0.0006","8.3443","0.0019","90","","125.212","0.008","90","","291.4","0.09","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.17122","","0.56","","","","","","","has coordinates","246048","2020-10-21","18:00:00",""
"2300656","8.2592","0.0005","5.98351","0.00032","8.6755","0.0011","90","","122.651","0.004","90","","360.98","0.06","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.18978","","0.41","","","","","","","has coordinates","246049","2020-10-21","18:00:00",""
"2300657","7.7152","0.0008","5.7097","0.0005","8.4166","0.0014","90","","124.816","0.007","90","","304.39","0.07","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.18667","","0.48","","","","","","","has coordinates","246050","2020-10-21","18:00:00",""
"2300658","7.9917","0.0008","5.8564","0.0005","8.5502","0.0019","90","","123.777","0.007","90","","332.63","0.09","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.17068","","0.49","","","","","","","has coordinates","246051","2020-10-21","18:00:00",""
"2300659","7.8713","0.0007","5.788","0.0004","8.4908","0.0015","90","","124.076","0.006","90","","320.41","0.07","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.16297","","0.55","","","","","","","has coordinates","246052","2020-10-21","18:00:00",""
"2310003","10.7764","0.001","9.1947","0.0009","4.7788","0.0005","90","","106.87","0.02","90","","453.13","0.09","","","20","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","D,L-Serine","(±) 2-Amino-3-hydroxypropionic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","KX5007","Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander","Experimental dynamic electron densities of multipole models at different temperatures","Acta Crystallographica Section A","2012","68","5","568","581","10.1107/S0108767312029005","","","0.71073","MoKα","","0.025","0.018","","","","0.02","","","","","","1.172","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310004","10.7621","0.001","9.1771","0.0009","4.7883","0.0005","90","","106.76","0.02","90","","452.83","0.09","","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","D,L-Serine","(±) 2-Amino-3-hydroxypropionic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","KX5007","Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander","Experimental dynamic electron densities of multipole models at different temperatures","Acta Crystallographica Section A","2012","68","5","568","581","10.1107/S0108767312029005","","","0.71073","MoKα","","0.033","0.021","","","","0.022","","","","","","1.13","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310005","10.7355","0.0009","9.1456","0.0007","4.8304","0.0004","90","","106.46","0.01","90","","454.82","0.07","","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","D,L-Serine","(±) 2-Amino-3-hydroxypropionic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","KX5007","Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander","Experimental dynamic electron densities of multipole models at different temperatures","Acta Crystallographica Section A","2012","68","5","568","581","10.1107/S0108767312029005","","","0.71073","MoKα","","0.034","0.021","","","","0.024","","","","","","1.282","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310395","9.181","","12.459","","6.239","","90","","106.95","","90","","682.653","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N H4)2 Ni (S O4)2 (H2 O)6","","- H20 N2 Ni O14 S2 -","- H20 N2 Ni O14 S2 -","- H40 N4 Ni2 O28 S4 -","2","0.5","","Grimes, N. W.; Kay, H. F.; Webb, M. W.","The crystal structure of ammonium nickel sulphate hexahydrate (N H4)2 Ni (S O4)2 (H2 O)6","Acta Crystallographica (1,1948-23,1967)","1963","16","","823","829","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310407","6.507","","17.796","","8.377","","90","","96.57","","90","","963.674","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Na2 B8 O13","","- B8 Na2 O13 -","- B8 Na2 O13 -","- B32 Na8 O52 -","4","1","","Hyman, A.; Perloff, A.; Block, S.; Mauer, F.","The crystal structure of sodium tetraborate","Acta Crystallographica (1,1948-23,1967)","1967","22","","815","821","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310444","9.267","","12.445","","6.298","","90","","106.15","","90","","697.671","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N H4)2 Cu (S O4)2 (H2 O)6","","- Cu H20 N2 O14 S2 -","- Cu H20 N2 O14 S2 -","- Cu2 H40 N4 O28 S4 -","2","0.5","","Montgomery, H.; Lingafelter, E.C.","The Crystal Structure of Tutton's Salts. III. Copper Ammonium Sulfate Hexahydrate","Acta Crystallographica (1,1948-23,1967)","1966","20","","659","662","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310445","9.398","","12.742","","6.256","","90","","106.98","","90","","716.494","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N H4)2 Mn (S O4)2 (H2 O)6","","- H20 Mn N2 O14 S2 -","- H20 Mn N2 O14 S2 -","- H40 Mn2 N4 O28 S4 -","2","0.5","","Montgomery, H.; Chastain, R. V.; Lingafelter, E. C.","The Crystal Structure of Tutton's Salts. V. Manganese Ammonium Sulfate Hexahydrate","Acta Crystallographica (1,1948-23,1967)","1966","20","","731","733","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310446","9.433","","12.823","","6.286","","90","","106.87","","90","","727.629","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N H4)2 Cd (S O4)2 (H2 O)6","","- Cd H20 N2 O14 S2 -","- Cd H20 N2 O14 S2 -","- Cd2 H40 N4 O28 S4 -","2","0.5","","Montgomery, H.; Lingafelter, E.C.","The Crystal Structure of Tutton's Salts. IV. Cadmium Ammonium Sulfate Hexahydrate","Acta Crystallographica (1,1948-23,1967)","1966","20","","728","730","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310447","9.42","","12.76","","6.22","","90","","107.2","","90","","714.203","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","V (N H4)2 (S O4)2 (H2 O)6","","- H20 N2 O14 S2 V -","- H20 N2 O14 S2 V -","- H40 N4 O28 S4 V2 -","2","0.5","","Montgomery, H.; Chastain, R.V.; Lingafelter, E.C.; Natt, J.J.; Witkowska, A.M.","The Crystal Structure of Tutton's Salts. VI. Vanadium(II), Iron(II) and Cobalt(II) Ammonium Sulfate Hexahydrates","Acta Crystallographica (1,1948-23,1967)","1967","22","","775","780","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310448","9.32","","12.65","","6.24","","90","","106.8","","90","","704.284","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Fe (N H4)2 (S O4)2 (H2 O)6","","- Fe H20 N2 O14 S2 -","- Fe H20 N2 O14 S2 -","- Fe2 H40 N4 O28 S4 -","2","0.5","","Montgomery, H.; Chastain, R.V.; Natt, J.J.; Witkowska, A.M.; Lingafelter, E.C.","The Crystal Structure of Tutton's Salts. VI. Vanadium(II), Iron(II) and Cobalt(II) Ammonium Sulfate Hexahydrates","Acta Crystallographica (1,1948-23,1967)","1967","22","","775","780","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310480","6.5","","8.12","","8.52","","90","","95.07","","90","","447.926","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Na2 (S2 O3)","","- Na2 O3 S2 -","- Na2 O3 S2 -","- Na8 O12 S8 -","4","1","","Sandor, E.; Csordas, L.","The crystal structure of anhydrous sodium thiosulphate","Acta Crystallographica (1,1948-23,1967)","1961","14","","237","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310575","7.141","","14.756","","4.214","","90","","105.5","","90","","427.891","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(Zn (N2 H4)2) (N C S)2","","- C2 H8 N6 S2 Zn -","- C2 H8 N6 S2 Zn -","- C4 H16 N12 S4 Zn2 -","2","0.5","","Ferrari, A.; Braibanti, A.; Bigliardi, G.; Lanfredi, A.M.M.","The crystal structure of bis(hydrazine)zinc isothiocyanate","Acta Crystallographica (1,1948-23,1967)","1965","18","","367","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310635","9.279","","12.568","","6.253","","90","","106.82","","90","","698.018","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Zn (N H4)2 (S O4)2 (H2 O)6","","- H20 N2 O14 S2 Zn -","- H20 N2 O14 S2 Zn -","- H40 N4 O28 S4 Zn2 -","2","0.5","","Montgomery, H.; Lingafelter, E.C.","The crystal structure of Tutton's salts. I. Zinc ammonium sulfate hexahydrate","Acta Crystallographica (1,1948-23,1967)","1964","17","","1295","1299","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310704","6.54","","10.66","","6.08","","90","","103","","90","","413.012","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Na C N (H2 O)2","","- C H4 N Na O2 -","- C H4 N Na O2 -","- C4 H16 N4 Na4 O8 -","4","1","","le Bihan, M.T.","Structure du Cyanure de Sodium Hydrate","Acta Crystallographica (1,1948-23,1967)","1958","11","","770","773","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310831","6.68","","3.96","","6.55","","90","","127.9","","90","","136.721","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- N2 O2 -","- N2 O2 -","- N4 O4 -","2","0.5","","Dulmage, W.J.; Meyers, E.A.; Lipscomb, W.N.","On the Crystal and Molecular Structure of N2 O2","Acta Crystallographica (1,1948-23,1967)","1953","6","","760","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310979","12.1","","3.12","","9.36","","90","","104.33","","90","","342.364","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Mg2 (B2 O5)","","- B2 Mg2 O5 -","- B2 Mg2 O5 -","- B8 Mg8 O20 -","4","1","","Takeuchi, Y.","The crystal structure of magnesium pyroborate","Acta Crystallographica (1,1948-23,1967)","1952","5","","574","581","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2311080","6.94","","11.34","","6.13","","90","","105.25","","90","","465.441","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","H4 (Fe (C N)6)","","- C6 H4 Fe N6 -","- C6 H4 Fe N6 -","- C12 H8 Fe2 N12 -","2","0.5","","Pierrot, M.; Kern, R.; Weiss, R.","Structure cristalline de l'acide ferrocyanhydrique, H4 (Fe (C N)6)","Acta Crystallographica (1,1948-23,1967)","1966","20","","425","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311095","8.952","0.0013","6.1946","0.0005","3.4927","0.0005","90","","112.19","0.01","90","","179.34","0.04","100","","100","0.1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","diformohydrazide","diformohydrazide","","- C2 H4 N2 O2 -","- C2 H4 N2 O2 -","- C4 H8 N4 O4 -","2","0.5","KX5062","Tanaka, Kiyoaki","X-ray molecular orbital analysis. I. Quantum mechanical and crystallographic framework","Acta Crystallographica Section A","2018","74","4","345","356","10.1107/S2053273318005478","","","0.71073","MoKα","","","0.0129","","","0.0114","","","","","","","0.8288","","","","has coordinates","208875","2020-10-21","18:00:00",""
"2311993","23.1577","0.0011","6.49992","0.00021","6.49067","0.00021","90","","99.6112","0.0029","90","","963.28","0.06","300","","300","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","lithium rubidium hydrogen citrate hydrate","lithium rubidium hydrogen citrate hydrate","","- C6 H8 Li O8 Rb -","- C6 H8 Li O8 Rb -","- C24 H32 Li4 O32 Rb4 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Dilithium (citrate) crystals and their relatives.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 10","1160","1170","10.1107/S2053229618012597","powder diffraction","x-ray","0.709319","Kα~1~","","","","","","","","0.06191","","2.22","","","","","","","has coordinates","246233","2020-10-21","18:00:00",""
"2312144","23.9846","0.0009","5.09694","0.00015","10.8504","0.0004","90","","107.032","0.004","90","","1268.26","0.08","293","2","293","2","","","","","","","","12","P 1 21/a 1","-P 2yab","14","","","","- C0.14 H4.04 Al4.2 Ca4.94 K0.9 Mg0.08 Na0.45 O31.4 P0.33 S1.53 Si5.8 Sr0.09 -","- Al4 Ca5.384 K0.454 Na0.526 O31.404 S1.858 Si6 Sr0.09 -","- Al8 Ca10.768 K0.908 Na1.052 O62.808 S3.716 Si12 Sr0.18 -","2","0.5","","Zubkova, Natalia V.; Chukanov, Nikita V.; Varlamov, Dmitry A.; Vigasina, Marina F.; Pekov, Igor V.; Ksenofontov, Dmitry A.; Pushcharovsky, Dmitry Yu","New data on the crystal chemistry of the natural two-layer aluminosilicates latiumite and tuscanite.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623004638","","","0.71073","MoKα","","0.042","0.0309","","","0.0648","0.0691","","","","","","1.025","","","","has coordinates,has Fobs","284811","2023-07-05","02:09:32",""
"3000574","10.775","0.002","8.291","0.002","15.753","0.003","90","","104.85","0.005","90","","1360.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","","","methyl 2-((4'-cyano-[1,1' biphenyl]-4-yl)oxy)ethanate (CN-Bi-1-S-M)","","- C16 H13 N O3 -","","","","","","Zugenmaier","","To be published in Crystals","","","","","","","","","1.54184","CuKα","","0.0427","0.0406","","","0.1133","0.1156","","","","","","1.078","","","","","296920","2024-12-19","16:31:00","2025-06-19"
"4000040","14.0195","0.0005","8.1263","0.0004","15.0153","0.0006","90","","108.207","0.002","90","","1625","0.11","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H13 N3 O6 -","- C17 H13 N3 O6 -","- C68 H52 N12 O24 -","4","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000044","18.593","0.011","9.663","0.003","10.159","0.003","90","","104.79","0.04","90","","1764.7","1.2","296","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 O S9 -","- C12 H10 O S9 -","- C48 H40 O4 S36 -","4","1","","Yamada, Jun-ichi; Oka, Rika; Mangetsu, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi","Tetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the σ-Bond: New Donor Components for Organic Metals","Chemistry of Materials","2001","13","5","1770","1777","10.1021/cm000842x","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000247","10.0682","0.0004","8.9121","0.0003","12.9631","0.0007","90","","90.4901","0.0015","90","","1163.1","","150","","150","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C4 H13 N O8 P2 U -","- C4 H13 N O8 P2 U -","- C16 H52 N4 O32 P8 U4 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm021711u","","","0.71073","MoKα","","","0.0254","","","","0.056","","","","","","0.8658","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000269","19.176","0.002","5.537","0.004","25.025","0.002","90","","108.77","0.01","90","","2515.8","1.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C104 H112 N16 O32 -","8","2","","","","Chemistry of Materials","2003","","","","","","","","0.7093","MoKα","","0.0613","0.04","","","0.0981","0.1056","","","","","","1.029","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000283","9.2115","0.0002","9.8729","0.0002","24.2448","0.0005","90","","90.509","0.001","90","","2204.84","0.08","175","2","175","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H35 F6 N2 P -","- C18 H35 F6 N2 P -","- C72 H140 F24 N8 P4 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm021378u","","","0.71073","MoKα","","0.062","0.04","","","0.0909","0.1013","","","","","","1.017","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000284","9.6823","0.0003","9.5159","0.0002","25.4086","0.0008","90","","94.215","0.002","90","","2334.71","0.11","300","2","300","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H35 F6 N2 P -","- C18 H35 F6 N2 P -","- C72 H140 F24 N8 P4 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm021378u","","","0.71073","MoKα","","0.2166","0.1096","","","0.3145","0.3865","","","","","","1.177","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000351","9.5721","0.0007","8.614","0.0006","12.894","0.001","90","","99.961","0.003","90","","1047.1","0.1","120","2","120","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C6 H10 Ga N O7 P2 -","- C6 H10 Ga N O7 P2 -","- C24 H40 Ga4 N4 O28 P8 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm034745q","","x-ray","0.71073","MoKα","","0.1129","0.07","","","0.1762","0.1897","","","","","","1.203","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000451","11.4181","0.0013","7.5574","0.0008","19.0355","0.0017","90.012","0.008","97.886","0.008","89.994","0.009","1627.1","0.3","293","2","239","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H17 F6 N4 P -","- C14 H17 F6 N4 P -","- C56 H68 F24 N16 P4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0492989","","","0.71073","MoKα","","0.1013","0.0544","","","0.1363","0.1596","","","","","","0.922","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000555","9.524","0.004","9.283","0.004","11.969","0.005","90","","92.26","0.03","90","","1057.3","0.8","296.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H16 F6 -","- C28 H16 F6 -","- C56 H32 F12 -","2","0.5","","Shinji Ando; Jun-ichi Nishida; Eiichi Fujiwara; Hirokazu Tada; Youji Inoue; Shizuo Tokito; Yoshiro Yamashita","Novel p-and n-Type Organic Semiconductors with an Anthracene Unit","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000600","8.0077","0.0008","5.6402","0.0005","23.749","0.002","90","","99.215","0.002","90","","1058.78","0.17","253","2","253","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H20 S2 -","- C30 H20 S2 -","- C60 H40 S4 -","2","0.5","","","Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation","Chemistry of Materials","2005","","","","","10.1021/cm0504889","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000996","8.382","0.0005","21.511","0.0014","16.292","0.0019","90","","97.587","0.006","90","","2911.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","(MeEDO-TTF)4HCTMM","(MeEDO-TTF)4HCTMM","","- C46 H32 N6 O8 S16 -","- C46 H32 N6 O8 S16 -","- C92 H64 N12 O16 S32 -","2","0.5","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.137","0.1144","","","0.3257","0.3452","","","","","","1.374","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001297","8.7534","0.001","8.747","0.001","12.72","0.002","90","","97.63","0.01","90","","965.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C4 H14 I6 N2 Pb -","- C4 H14 I6 N2 Pb -","- C8 H28 I12 N4 Pb2 -","2","0.5","","Sourisseau, Sebastien; Louvain, Nicolas; Bi, Wenhua; Mercier, Nicolas; Rondeau, David; Boucher, Florent; Buzaré, Jean-Yves; Legein, Christophe","Reduced Band Gap Hybrid Perovskites Resulting from Combined Hydrogen and Halogen Bonding at the Organic−Inorganic Interface","Chemistry of Materials","2007","19","3","600","","10.1021/cm062380e","","x-ray","0.71073","MoKα","","","0.0339","","","","0.072","","","","","","0.961","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001429","11.6162","0.0005","17.0136","0.0008","18.6513","0.0009","90","","92.615","0.004","90","","3682.3","0.3","295","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C41 H41 Cl N4 O -","- C41 H41 Cl N4 O -","- C164 H164 Cl4 N16 O4 -","4","1","","Bouit, Pierre-Antoine; Wetzel, Guillaume; Berginc, Gérard; Loiseaux, Brigitte; Toupet, Loïc; Feneyrou, Patrick; Bretonnière, Yann; Kamada, Kenji; Maury, Olivier; Andraud, Chantal","Near IR Nonlinear Absorbing Chromophores with Optical Limiting Properties at Telecommunication Wavelengths","Chemistry of Materials","2007","19","22","5325","","10.1021/cm071557h","","","0.71069","MoKα","","0.1437","0.0573","","","0.1623","0.1813","","","","","","0.812","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001469","8.95","0.001","8.392","0.001","15.393","0.002","90","","92.268","0.003","90","","1155.2","0.2","295.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H22 I6 N2 Sn -","- C8 I6 N2 Sn -","- C16 I12 N4 Sn2 -","2","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","","","0.0734","","","","0.174","","","","","","1.926","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001537","10.219","0.0004","13.9566","0.0015","17.26","0.002","90","","90.193","0.005","90","","2461.7","0.4","293","","293","","","","","","","","synthesised by authors","5","P 1 21/a 1","-P 2yab","14","","","","- Cs2 Ga6 H5.1 O27.55 P6 -","- Cs2 Ga6 H2 O27.549 P6 -","- Cs8 Ga24 H8 O110.196 P24 -","4","1","","Lesage, J.; Guesdon, A.; Hervieu, M.; Raveau, B.","Unusual Mobility of Cesium via a Reversible Topotactic Dehydration Reaction in a New Hydroxygallophosphate with an Intersecting Tunnel Structure","Chemistry of Materials","2006","18","12","2895","","10.1021/cm060275z","","","0.71069","MoKα","","0.0911","0.0419","","","0.0396","0.0443","","","","1.33","1.33","1.17","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001598","10.69557","0.00022","11.32418","0.00022","8.49009","0.00015","90","","122.384","0.0011","90","","868.38","0.03","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- Ca Mn3 O6 -","- Ca Mn3 O6 -","- Ca8 Mn24 O48 -","8","2","","Hadermann, Joke; Abakumov, Artem M.; Gillie, Lisa J.; Martin, Christine; Hervieu, Maryvonne","Coupled Cation and Charge Ordering in the CaMn3O6Tunnel Structure","Chemistry of Materials","2006","18","23","5530","","10.1021/cm0618998","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001672","13.4677","0.0011","4.7775","0.0003","18.7642","0.0016","90","","94.002","0.005","90","","1204.38","0.16","296","","296","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H10 F6 N2 O4 S2 -","- C30 H10 F6 N2 O4 S2 -","- C60 H20 F12 N4 O8 S4 -","2","0.5","","Ie, Yutaka; Ueta, Masashi; Nitani, Masashi; Tohnai, Norimitsu; Miyata, Mikiji; Tada, Hirokazu; Aso, Yoshio","Air-Stable n-Type Organic Field-Effect Transistors Based on 4,9-Dihydro-s-indaceno[1,2-b:5,6-b′]dithiazole-4,9-dione Unit","Chemistry of Materials","2012","24","16","3285","","10.1021/cm301985q","","","0.8","","","","0.0784","","","","0.2401","","","","","","1.084","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001874","19.12","0.002","13.9438","0.0017","23.307","0.003","90","","106.467","0.0017","90","","5958.9","1.2","296","2","296.15","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C48 H93 N2 O12 Si3 Yb -","- C48 H93 N2 O12 Si3 Yb -","- C192 H372 N8 O48 Si12 Yb4 -","4","1","","Lapadula, Giuseppe; Bourdolle, Adrien; Allouche, Florian; Conley, Matthew P.; del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Guyot, Yannick; Andraud, Chantal; Brasselet, Sophie; Copéret, Christophe; Maury, Olivier; Andersen, Richard A.","Near-IR Two Photon Microscopy Imaging of Silica Nanoparticles Functionalized with Isolated Sensitized Yb(III) Centers","Chemistry of Materials","2014","26","2","1062","","10.1021/cm404140q","","","0.71073","MOKα","","0.0779","0.0705","","","0.1515","0.1544","","","","","","1.308","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001875","19.1651","0.0017","13.9306","0.0012","23.309","0.002","90","","106.35","0.0014","90","","5971.4","0.9","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C48 H93 N2 O12 Si3 Y -","- C48 H93 N2 O12 Si3 Y -","- C192 H372 N8 O48 Si12 Y4 -","4","1","","Lapadula, Giuseppe; Bourdolle, Adrien; Allouche, Florian; Conley, Matthew P.; del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Guyot, Yannick; Andraud, Chantal; Brasselet, Sophie; Copéret, Christophe; Maury, Olivier; Andersen, Richard A.","Near-IR Two Photon Microscopy Imaging of Silica Nanoparticles Functionalized with Isolated Sensitized Yb(III) Centers","Chemistry of Materials","2014","26","2","1062","","10.1021/cm404140q","","","0.71073","MoKα","","0.0819","0.0756","","","0.166","0.1683","","","","","","1.274","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4002002","10.237","0.004","11.17","0.004","8.139","0.004","90","","91.51","0.02","90","","930.3","0.7","200","2","200","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Bis(N-n-butylpyrrolo[3,4-d])TTF","","","- C18 H22 N2 S4 -","- C18 H22 N2 S4 -","- C36 H44 N4 S8 -","2","0.5","","Doi, Iori; Miyazaki, Eigo; Takimiya, Kazuo; Kunugi, Yoshihito","Development ofN-Alkyl-Substituted Bis(pyrrolo[3,4-d])tetrathiafulvalenes as Organic Semiconductors for Solution-Processible Field-Effect Transistors","Chemistry of Materials","2007","19","22","5230","","10.1021/cm070956+","","","0.71069","MoKα","","0.0605","0.0444","","","0.1081","0.1168","","","","","","1.085","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002003","9.929","0.004","10.846","0.005","12.603","0.003","90","","92.511","0.001","90","","1355.9","0.9","200","2","200","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Bis(N-n-octylpyrrolo[3,4-d])TTF","","","- C26 H38 N2 S4 -","- C26 H38 N2 S4 -","- C52 H76 N4 S8 -","2","0.5","","Doi, Iori; Miyazaki, Eigo; Takimiya, Kazuo; Kunugi, Yoshihito","Development ofN-Alkyl-Substituted Bis(pyrrolo[3,4-d])tetrathiafulvalenes as Organic Semiconductors for Solution-Processible Field-Effect Transistors","Chemistry of Materials","2007","19","22","5230","","10.1021/cm070956+","","","0.71069","MoKα","","0.0419","0.0339","","","0.096","0.1016","","","","","","1.021","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002006","19.879","0.011","17.167","0.008","25.55","0.01","90","","112.315","0.003","90","","8066","7","90.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H48 N Ni S8 Se4 -","- C32 H48 N Ni S8 Se4 -","- C256 H384 N8 Ni8 S64 Se32 -","8","2","","Fujiwara, Emiko; Yamamoto, Kimiko; Shimamura, Mina; Zhou, Biao; Kobayashi, Akiko; Takahashi, Kazuyuki; Okano, Yoshinori; Cui, Hengbo; Kobayashi, Hayao","(nBu4N)[Ni(dmstfdt)2]: A Planar Nickel Coordination Complex with an Extended-TTF Ligand Exhibiting Metallic Conduction, Metal‒Insulator Transition, and Weak Ferromagnetism","Chemistry of Materials","2007","19","3","553","","10.1021/cm062131q","","","0.7107","MoKα","","","0.1","","","","0.131","","","","","","1.344","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002204","6.0866","0.0001","7.8111","0.0001","42.5972","0.0007","90","","91.8394","0.0007","90","","2024.16","0.05","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C25 H22 S2 -","- C25 H22 S2 -","- C100 H88 S8 -","4","1","","Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo","Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals","Chemistry of Materials","2015","27","11","3809","","10.1021/acs.chemmater.5b00810","","","1.54187","CuKα","","0.1132","0.0691","","","0.1837","0.2272","","","","","","1.016","","","","has coordinates","140080","2020-10-21","18:00:00",""
"4002206","6.0957","0.0001","7.8022","0.0001","44.243","0.003","90","","93.5107","0.0007","90","","2100.24","0.15","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H24 S2 -","- C26 H24 S2 -","- C104 H96 S8 -","4","1","","Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo","Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals","Chemistry of Materials","2015","27","11","3809","","10.1021/acs.chemmater.5b00810","","","1.5527","synchrotron","","0.1177","0.0756","","","0.2075","0.2299","","","","","","0.916","","","","has coordinates","140080","2020-10-21","18:00:00",""
"4002207","6.0861","0.0002","7.804","0.0003","49.128","0.001","90","","97.199","0.001","90","","2314.99","0.13","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H28 S2 -","- C28 H28 S2 -","- C112 H112 S8 -","4","1","","Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo","Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals","Chemistry of Materials","2015","27","11","3809","","10.1021/acs.chemmater.5b00810","","","1.5528","synchrotron","","0.0839","0.0771","","","0.2264","0.244","","","","","","1.15","","","","has coordinates","140080","2020-10-21","18:00:00",""
"4002215","11.573","0.0015","12.8479","0.0016","6.9092","0.0009","90","","107.053","0.002","90","","982.2","0.2","155","","155","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H14 N4 -","- C26 H14 N4 -","- C52 H28 N8 -","2","0.5","","Yokokura, Seiya; Takahashi, Yukihiro; Nonaka, Hiroki; Hasegawa, Hiroyuki; Harada, Jun; Inabe, Tamotsu; Kumai, Reiji; Okamoto, Hiroshi; Matsushita, Michio M.; Awaga, Kunio","Switching of Transfer Characteristics of an Organic Field-Effect Transistor by Phase Transitions: Sensitive Response to Molecular Dynamics and Charge Fluctuation","Chemistry of Materials","2015","27","12","4441","","10.1021/acs.chemmater.5b01383","","","0.71073","MoKα","","0.0552","0.0413","","","0.1217","0.1331","","","","","","1.094","","","","has coordinates,has disorder","139985","2020-10-21","18:00:00",""
"4002734","8.191","0.0009","5.8764","0.0005","32.111","0.003","90","","92.698","0.003","90","","1543.9","0.3","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 S2 -","- C18 H16 S2 -","- C72 H64 S8 -","4","1","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.71075","MoKα","","0.1698","0.0478","","","0.0879","0.1185","","","","","","0.871","","","","has coordinates","192857","2020-10-21","18:00:00",""
"4002737","7.8271","0.0004","8.3402","0.0004","12.3259","0.0007","90","","108.838","0.0015","90","","761.53","0.07","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 S2 -","- C18 H16 S2 -","- C36 H32 S4 -","2","0.5","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.7093","MoKα","","0.0835","0.0446","","","0.1225","0.1479","","","","","","1.101","","","","has coordinates","192860","2020-10-21","18:00:00",""
"4002851","27.3847","0.001","5.01906","0.00016","17.1935","0.0006","90","","97.3103","0.002","90","","2343.96","0.14","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H22 Cl N3 O5 -","- C25 H22 Cl N3 O5 -","- C100 H88 Cl4 N12 O20 -","4","1","","Dmytro V. Dudenko; P. Andrew Williams; Colan E. Hughes; Oleg N. Antzutkin; Sitaram P. Velaga; Steven P. Brown; Kenneth D. M. Harris","Exploiting the Synergy of Powder X-ray Diffraction and Solid-State NMR Spectroscopy in Structure Determination of Organic Molecular Solids","The Journal of Physical Chemistry. C, Nanomaterials and Interfaces","2013","13","","12258","12265","10.1021/jp4041106","powder diffraction","","","","","","","","","","","","","1.33","","","","","","","has coordinates","201403","2020-10-21","18:00:00",""
"4003158","6.128","0.0015","7.5805","0.0019","28.009","0.007","90","","94.509","0.007","90","","1297.1","0.6","100","2","100","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C38 H20 S4 -","- C38 H20 S4 -","- C76 H40 S8 -","2","0.5","","Abe, Masahiro; Mori, Takamichi; Osaka, Itaru; Sugimoto, Kunihisa; Takimiya, Kazuo","Thermally, Operationally, and Environmentally Stable Organic Thin-Film Transistors Based on Bis[1]benzothieno[2,3-d:2′,3′-d′]naphtho[2,3-b:6,7-b′]dithiophene Derivatives: Effective Synthesis, Electronic Structures, and Structure‒Property Relationship","Chemistry of Materials","2015","27","14","5049","","10.1021/acs.chemmater.5b01608","","","0.6997","synchrotron","","0.1377","0.0803","","","0.1875","0.2287","","","","","","1.182","","","","has coordinates","231399","2020-10-21","18:00:00",""
"4020133","8.607","0.003","9.146","0.003","15.608","0.002","90","","90.8","0.02","90","","1228.5","0.6","20","","193","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","?","- C312 H378 Cl46 N32 O96 P8 Si8 -","- C312 H378 Cl46 N32 O96 P8 Si8 -","","","","Li Liu; Qian Chen; Yun-Dong Wu; Chaozhong Li","","Journal of Organic Chemistry","2005","70","","1539","1544","10.1021/jo0481349","","","0.71073","MoKα","","0.1078","0.0614","","","0.1258","0.1454","","","","","","1.001","","","","has coordinates,has disorder","201202","2020-10-21","18:00:00",""
"4020220","8.1622","0.0014","25.266","0.002","8.8758","0.0011","90","","115.558","0.012","90","","1651.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H17 N -","- C22 H17 N -","- C88 H68 N4 -","4","1","","Fátima Churruca; Raul San Martín; Mónica Carril; Urtiaga, M.K.; Xavier Solans.; Imanol Tellitu; Esther Domínguez","","Journal of Organic Chemistry","2005","70","","3178","3187","10.1021/jo0501036","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020275","17.48","0.02","9.14","0.02","26.13","0.01","90","","107.25","0.06","89","","3987","5","173.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C14 H14 Se7 -","- C28 H28 Se14 -","- C224 H224 Se112 -","8","2","","Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5036","5044","10.1021/jo0502807","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020276","10.258","0.006","8.901","0.005","12.501","0.005","90","","97.71","0.04","90","","1131","1","173.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H16 Se8 -","- C16 H16 Se8 -","- C32 H32 Se16 -","2","0.5","","Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5036","5044","10.1021/jo0502807","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020278","18.561","0.008","10.596","0.005","9.523","0.003","90","","90.92","0.03","90","","1872","1","173.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 Ag F3 O2 Se5 -","- C12 H10 Ag F3 O2 Se5 -","- C48 H40 Ag4 F12 O8 Se20 -","4","1","","Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5036","5044","10.1021/jo0502807","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020337","16.757","0.001","10.0442","0.0007","22.95","0.002","90","","98.946","0.004","90","","3815.7","0.5","296.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C13 H20 F3 O3 P S2 Se -","- C13 H20 F3 O3 P S2 Se -","- C104 H160 F24 O24 P8 S16 Se8 -","8","2","","Tsutomu Kimura; Toshiaki Murai; Akihiro Miwa; Daisuke Kurachi; Haruhisa Yoshikawa; Shinzi Kato","","Journal of Organic Chemistry","2005","70","","5611","5617","10.1021/jo050576c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020399","12.5015","0.0008","35.409","0.002","14.2168","0.001","90","","110.7","0.008","90","","5887.1","0.7","200","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C59 H75 N3 O4 S5 -","- C59 H73 N3 O4 S5 -","- C236 H292 N12 O16 S20 -","4","1","","Bang-Tun Zhao; María-Jesús Blesa; Nicolas Mercier; Franck Le Derf; Marc Sallé","","Journal of Organic Chemistry","2005","70","","6254","6257","10.1021/jo0505876","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020522","15.503","0.005","8.505","0.002","16.954","0.003","90","","100.37","0.02","90","","2198.97","","288.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms","Journal of Organic Chemistry","2005","70","","8364","8371","10.1021/jo050992x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020582","12.763","0.002","3.8089","0.0007","12.881","0.002","90","","104.416","0.018","90","","606.48","0.19","100","1","100","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H8 Br2 N2 O2 -","- C12 H8 Br2 N2 O2 -","- C24 H16 Br4 N4 O4 -","2","0.5","","Ivan Halasz; Ernest Meštrović; Helena Čičak; Zlatko Mihalić; Hrvoj Vančik","Solid-State Reaction Mechanisms in Monomer-Dimer Interconversions of p-Bromonitrosobenzene. Single-Crystal-to-Single-Crystal Photodissociation and Formation of New Non-van der Waals Close Contacts","Journal of Organic Chemistry","2005","70","","8461","8467","10.1021/jo051236u","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020588","8.323","","25.216","","10.559","","90","","104.92","","90","","2141.3","","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H19 O7 S -","- C26 H19 O7 S -","- C104 H76 O28 S4 -","4","1","","Asit Patra; Pallab Pahari; Sutapa Ray; Dipakranjan Mal","A Brief and Convergent Synthetic Route to Defucogilvocarcin M Chromophore: The Formal Synthesis of WS-5995 A and C","Journal of Organic Chemistry","2005","70","","9017","9020","10.1021/jo0512960","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020622","15.503","0.005","8.505","0.002","16.954","0.003","90","","100.37","0.02","90","","2198.97","","288.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Ken Kokubo; Takuya Koizumi; Kenji Harada; Eiko Mochizuki; Takumi Oshima","Site Selectivity Switch in Lewis Acid Catalysis. Mechanism and Kinetic Simulation of Skeletal Rearrangement of Cyclobutene-Fused Homoquinones","Journal of Organic Chemistry","2005","70","","7776","7779","10.1021/jo051399i","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020718","11.847","0.008","8.94","0.007","19.015","0.006","90","","93.27","0.04","90","","2010","1","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 Br Cl O4 -","- C20 H20 Br Cl O4 -","- C80 H80 Br4 Cl4 O16 -","4","1","","Srinivasarao Arulananda Babu; Makoto Yasuda; Ikuya Shibata; Akio Baba","In- or In(I)-Employed Tailoring of the Stereogenic Centers in the Reformatsky-Type Reactions of Simple Ketones, α-Alkoxy Ketones, and β-Keto Esters","Journal of Organic Chemistry","2005","70","","10408","10419","10.1021/jo051659w","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020727","30.895","0.003","5.5887","0.0007","7.818","0.001","90","","93.066","0.009","90","","1348","0.3","198.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H12 F3 N O -","- C17 F3 N O -","- C68 F12 N4 O4 -","4","1","","Tsutomu Konno; Jungha Chae; Tomotsugu Miyabe; Takashi Ishihara","Regioselective One-Step Synthesis of 4-Fluoroalkylated Isoquinolines via Carbopalladation Reaction of Fluorine-Containing Alkynes","Journal of Organic Chemistry","2005","70","","10172","10174","10.1021/jo051700v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020732","8.476","0.009","12.54","0.01","18.38","0.01","90","","95.71","0.08","90","","1943","3","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C96 H84 N4 O16 -","4","1","","Hiroyuki Suga; Yasutaka Ebiura; Kazuaki Fukushima; Akikazu Kakehi; Toshihide Baba","Efficient Catalytic Effects of Lewis Acids in the 1,3-Dipolar Cycloaddition Reactions of Carbonyl Ylides with Imines","Journal of Organic Chemistry","2005","70","","10782","10791","10.1021/jo051743b","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4021006","12.644","0.001","12.974","0.001","14.0462","0.0009","90","","99.205","0.001","90","","2274.4","0.3","296.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021008","13.085","0.002","8.907","0.002","18.254","0.003","90","","95.486","0.005","90","","2117.9","0.6","223.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H28 O2 -","- C27 H28 O2 -","- C108 H112 O8 -","4","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021009","30.28","0.01","9.475","0.007","11.233","0.006","90","","93.86","0.04","90","","3215","3","298","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","?","- C40 H28 O3 -","- C160 H112 O12 -","4","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","0.083","","","0.095","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021012","15.2418","0.0008","8.2652","0.0004","17.7642","0.0009","90","","94.232","0.001","90","","2231.8","0.2","296.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021067","8.864","0.005","14.597","0.005","10.9","0.004","90","","108.36","0.03","90","","1338.6","0.9","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Yuji Matsuya; Kazushige Sasaki; Mamiko Nagaoka; Hiroko Kakuda; Naoki Toyooka; Nobuko Imanishi; Hiroshi Ochiai; Hideo Nemoto","Synthesis of a New Class of Furan-Fused Tetracyclic Compounds Using o-Quinodimethane Chemistry and Investigation of Their Antiviral Activity","Journal of Organic Chemistry","2004","69","","7989","7993","10.1021/jo0486995","","","","","","","0.0449","","","0.0583","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021107","9.9726","0.0006","12.5133","0.0006","10.5966","0.0007","90","","110.642","0.002","90","","1237.5","0.1","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Naoki Kise; Kengo Ohya; Kie Arimoto; Yutaka Yamashita; Yuuki Hirano; Tadahiro Ono; Nasuo Ueda","Electroreductive Intramolecular Coupling of Aromatic β- and γ-Imino Esters: A New Synthetic Method for N-Alkoxycarbonyl-2-aryl-3-ones and cis-2-Aryl-3-ols of Pyrrolidines and Piperidines","Journal of Organic Chemistry","2004","69","","7710","7719","10.1021/jo0488917","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021109","15.495","0.004","10.946","0.003","15.325","0.003","90","","27.877","0.005","90","","1215.3","0.5","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Naoki Kise; Kengo Ohya; Kie Arimoto; Yutaka Yamashita; Yuuki Hirano; Tadahiro Ono; Nasuo Ueda","Electroreductive Intramolecular Coupling of Aromatic β- and γ-Imino Esters: A New Synthetic Method for N-Alkoxycarbonyl-2-aryl-3-ones and cis-2-Aryl-3-ols of Pyrrolidines and Piperidines","Journal of Organic Chemistry","2004","69","","7710","7719","10.1021/jo0488917","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021230","8.1918","0.0003","11.178","0.0005","13.5924","0.0007","90","","96.492","0.0019","90","","1236.65","0.1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H10 N2 O2 -","- C16 H10 N2 O2 -","- C64 H40 N8 O8 -","4","1","","Amit Basak; Subhendu Sekhar Bag; Pooja Anjali Majumder; Amit Kumar Das; Valerio Bertolasi","Effect of Remote Trigonal Carbons on the Kinetics of Bergman Cyclization: Synthesis and Chemical Reactivity of Pyridazinedione-Based Enediynes","Journal of Organic Chemistry","2004","69","","6927","6930","10.1021/jo049396d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021287","12.9473","0.0004","7.4923","0.0004","16.76","0.001","90","","102.063","0.003","90","","1589.9","0.1","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H17 N O Se -","- C18 H17 N O Se -","- C72 H68 N4 O4 Se4 -","4","1","","Yoshiaki Asanuma; Shin-ichi Fujiwara; Tsutomu Shin-ike; Nobuaki Kambe","Selenoimidoylation of Alcohols with Selenium and Isocyanides and Its Application to the Synthesis of Selenium-Containing Heterocycles","Journal of Organic Chemistry","2004","69","","4845","4848","10.1021/jo0496704","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021315","14.368","0.002","18.072","0.002","12.858","0.002","90","","105.244","0.009","90","","3221.3","0.7","298.2","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C42 H40 -","- C42 H35 -","- C168 H140 -","4","1","","Xin Zhou; Zhiping Li; Hui Wang; Masanori Kitamura; Ken-ichiro Kanno; Kiyohiko Nakajima; Tamotsu Takahashi","Novel Synthetic Route to Octasubstituted Naphthalenes from Four Alkynes and One Olefin Unit via Zirconacyclopentadienes and 1,2-Diiodo-3,4,5,6-tetraalkylbenzene","Journal of Organic Chemistry","2004","69","","4559","4562","10.1021/jo0497297","","","","","","","","","","","","","","","","","","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021367","10.0907","0.0002","5.1112","0.0002","17.8226","0.0008","90","","99.626","0.002","90","","906.27","0.06","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C36 H48 N8 O4 -","4","1","","Arnaud Salaün; Annaïck Favre; Barbara Le Grel; Michel Potel; Philippe Le Grel","Conformation of N^α^-Substituted Hydrazino Acetamides in CDCl~3~, he Precious Help of the Analysis of Δδ between Amidic Hydrogens, and Correlation to the Conformation of Aza-β^3^-peptides","Journal of Organic Chemistry","2006","71","","150","158","10.1021/jo051887q","","x-ray","0.71069","MoKα","","0.0825","0.0553","","","0.1507","0.1692","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021378","15.8732","0.0003","13.5038","0.0003","16.9982","0.0003","90","","99.468","0.002","90","","3593.9","0.1","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C180 H144 N24 O12 -","12","3","","Pavel Hradil; Martin Grepl; Jan Hlaváč; Miroslav Soural; Michal Maloň; Valerio Bertolasi","Some New Routes for the Preparation of 3-Amino-2-phenyl- 4(1H)-quinolinones from Anthranilamides","Journal of Organic Chemistry","2006","71","","819","822","10.1021/jo051303k","","","0.71073","MoKα","","0.1226","0.0593","","","0.1364","0.1707","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021557","15.937","0.005","7.227","0.003","10.649","0.003","90","","91","0.02","90","","1226.3","0.7","295","2","295","2","","","","","","","see text","3","P 1 21/a 1","-P 2yab","14","Hypodermin B","1RS-Hydroxy-6,6-dimethyl-7,8-dihydronaphtho[1,2-c]furan-3,9(1H,6H)-dione","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","","Luke C. Henderson; Wendy A. Loughlin; Ian D. Jenkins; Peter C. Healy; Marc R. Campitelli","Efficient Formal Synthesis of (±)-Hyphodermin B","Journal of Organic Chemistry","2006","71","","2384","2388","10.1021/jo052485l","","","0.71069","MoKα","","0.1238","0.0666","","","0.1823","0.2182","","","","","","1.035","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021642","5.7154","0.0004","28.899","0.002","7.9525","0.0006","90","","101.967","0.003","90","","1285","0.2","200","","200","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.1643","0.0729","","0.0807","","0.0672","","","1.689","","","1.898","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021677","10.9945","0.0008","15.532","0.001","19.61","0.001","90","","103.689","0.0009","90","","3253.5","0.4","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C39 H40 N2 O5 -","- C39 H40 N2 O5 -","- C156 H160 N8 O20 -","4","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.08","","","","0.2146","","","","","","1.769","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021753","8.061","0.004","24.011","0.01","15.935","0.007","90","","104.634","0.0015","90","","2984","2","123.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C72 H68 N4 O14 -","- C72 H68 N4 O14 -","- C144 H136 N8 O28 -","2","0.5","","Shin-ichiro Kato; Taisuke Matsumoto; Keiko Ideta; Toshiaki Shimasaki; Kenta Goto; Teruo Shinmyozu","Supramolecular Assemblies and Redox Modulation of Pyromellitic Diimide-Based Cyclophane via Noncovalent Interactions with Naphthol","Journal of Organic Chemistry","2006","71","","4723","4733","10.1021/jo0600196","","","0.7107","MoKα","","","0.0478","","","","0.1297","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021826","9.35","0.003","20.265","0.006","9.956","0.003","90","","113.142","0.0011","90","","1734.6","1","123.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H21 O4 P -","- C19 H21 O4 P -","- C76 H84 O16 P4 -","4","1","","Yoshihiro Matano; Tooru Miyajima; Takashi Nakabuchi; Yuichiro Matsutani; Hiroshi Imahori","A Convenient Method for the Synthesis of 2,5-Difunctionalized Phospholes Bearing Ester Groups","Journal of Organic Chemistry","2006","71","","5792","5795","10.1021/jo0605748","","","0.7107","MoKα","","","0.0503","","","","0.1221","","","","","","1.161","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021886","16.09","0.007","10.544","0.004","17.881","0.007","90","0.0015","104.605","0.0017","90","0.0015","2936","2","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H26 Cl2 O8 -","- C36 H26 Cl2 O8 -","- C144 H104 Cl8 O32 -","4","1","","Terunobu Saitoh; Suguru Yoshida; Junji Ichikawa","Naphthalene-1,8-diylbis(diphenylmethylium) as an Organic Two-Electron Oxidant: Benzidine Synthesis via Oxidative Self-Coupling of N,N-Dialkylanilines","Journal of Organic Chemistry","2006","71","","6414","6419","10.1021/jo060662s","","","0.7107","MoKα","","0.0593","0.0527","","","0.142","0.1467","","","","","","1.054","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021900","8.3006","0.0002","10.7427","0.0002","14.3728","0.0004","90","","95.137","0.001","90","","1276.49","0.05","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound X","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Laura A. McAllister; Kristy L. Turner; Stephen Brand; Mark Stefaniak; David J. Procter","Solid Phase Approaches to N-Heterocycles Using a Sulfur Linker Cleaved by SmI~2~","Journal of Organic Chemistry","2006","71","","6497","6507","10.1021/jo060940n","","","0.71073","MoKα","","0.0555","0.0425","","","0.1064","0.1146","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022001","12.517","0.003","10.304","0.002","19.366","0.003","90","","104.76","0.04","90","","2415.3","1","298.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H32 O4 Si2 -","- C24 H32 O4 Si2 -","- C96 H128 O16 Si8 -","4","1","","Tamotsu Takahashi; Shi Li; Wenying Huang; Fanzhi Kong; Kiyohiko Nakajima; Baojian Shen; Takahiro Ohe; Ken-ichiro Kanno","Homologation Method for Preparation of Substituted Pentacenes and Naphthacenes","Journal of Organic Chemistry","2006","71","","7967","7977","10.1021/jo060923y","","","0.7107","MoKα","","","0.0436","","","","0.0676","","","","","","1.402","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022270","6.154","0.001","21.446","0.005","7.486","0.002","90","","99.62","0.02","90","","974.1","0.4","20","","20","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","?","- C32 H52 I4 O8 -","- C32 H52 I4 O8 -","","","","Xingang Fang; Hairong Xia; Hui Yu; Xicheng Dong; Minbo Chen; Quanrui Wang; Fenggang Tao; Chaozhong Li","On the 6-Exo Atom Transfer Radical Cyclization Reactions of 3-Butenyl 2-Iodoalkanoates","Journal of Organic Chemistry","2002","67","","8481","8488","10.1021/jo026381b","","","0.7107","MoKalpha","","","0.043","","","0.054","","","","","2.24","2.24","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022272","9.241","0.003","10.113","0.003","11.632","0.003","90","","95.18","0.02","90","","1082.6","0.5","20","","20","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","?","- C36 H60 I4 O8 -","- C36 H60 I4 O8 -","","","","Xingang Fang; Hairong Xia; Hui Yu; Xicheng Dong; Minbo Chen; Quanrui Wang; Fenggang Tao; Chaozhong Li","On the 6-Exo Atom Transfer Radical Cyclization Reactions of 3-Butenyl 2-Iodoalkanoates","Journal of Organic Chemistry","2002","67","","8481","8488","10.1021/jo026381b","","","0.7107","MoKalpha","","","0.057","","","0.066","","","","","2.59","2.59","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022296","12.9071","0.0005","6.4873","0.0002","19.0794","0.0008","90","","99.547","0.001","90","","1575.43","0.1","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H21 N O2 S2 -","- C15 H21 N O2 S2 -","- C60 H84 N4 O8 S8 -","4","1","","Calum Macleod; Gordon J. McKiernan; Emma J. Guthrie; Louis J. Farrugia; Dieter W. Hamprecht; Jackie Macritchie; Richard C. Hartley","Synthesis of 2-Substituted Benzofurans and Indoles Using Functionalized Titanium Benzylidene Reagents on Solid Phase","Journal of Organic Chemistry","2003","68","","387","401","10.1021/jo026384o","","x-ray","0.71073","MoKα","","0.0623","0.0465","","","0.1076","0.1126","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022332","15.6985","0.0002","17.2437","0.0002","27.4997","0.0005","90","","92.4291","0.0005","90","","7437.49","0.19","150","","150","","","","","","","","Synthesised as described.","4","P 1 21/a 1","-P 2yab","14","","","","- C72 H117 N3 Si4 -","- C72 H117 N3 Si4 -","- C288 H468 N12 Si16 -","4","1","","Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson","Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin","Journal of Organic Chemistry","2003","68","","1089","1096","10.1021/jo026748c","","","0.71073","MoKα","","0.2101","0.1731","","0.1239","0.1156","0.1045","","","","","","1.2502","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022346","13.8549","0.0002","6.3197","0.0001","16.6171","0.0004","90","","96.118","0.001","90","","1446.69","0.05","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","1-N-ethyl-2-phenylthiocarbamoyl-2-methyl-piperazin-3-one","","- C14 H19 N3 O S -","- C14 H19 N3 O S -","- C56 H76 N12 O4 S4 -","4","1","","Barbara Zaleska; Robert Socha; Marcin Karelus; Edward Szneler; Jacek Grochowski; Paweł Serda","Synthesis of 1,4-Diazines by Ring Expansion of 1,3-Diazines","Journal of Organic Chemistry","2003","68","","2334","2337","10.1021/jo026756t","","","0.71073","MoKα","","0.0589","0.0441","","","0.1163","0.1272","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022577","7.838","0.001","31.118","0.006","7.7767","0.0009","90","","45.306","0.008","90","","1348.3","0.4","198.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Yuichi Sawada; Takashi Mori; Akira Oku","Carbon-Carbon Bond Formation Reaction of Ethereal Oxonium Ylides via Metal-Enolate Intermediates","Journal of Organic Chemistry","2003","68","","10040","10045","10.1021/jo035272+","","","1.5418","CuKα","","","0.071","","","","0.186","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022636","8.199","0.002","16.132","0.003","19.52","0.004","90","","91.19","0.02","90","","2581.2","0.8","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H45 N O3 -","- C26 H45 N O3 -","- C104 H180 N4 O12 -","4","1","","Pascale Cividino; Sandrine Py; Philippe Delair; Andrew E. Greene","1-(2,4,6-Triisopropylphenyl)ethylamine: A New Chiral Auxiliary for the Asymmetric Synthesis of γ-Amino Acid Derivatives","Journal of Organic Chemistry","2007","72","","485","493","10.1021/jo061976i","","","1.5418","CuKα","","0.0617","0.0617","","0.0779","","0.0779","","","1.988","","","1.988","","","","has coordinates","193994","2020-10-21","18:00:00",""
"4022685","12.844","0.005","14.204","0.005","13.953","0.003","90","","101.11","0.02","90","","2497.8","1.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C29 H28 Cl2 O3 -","- C29 H28 Cl2 O3 -","- C116 H112 Cl8 O12 -","4","1","","Sengodagounder Muthusamy; Janagiraman Krishnamurthi; Srinivasarao Arulananda Babu; Eringathodi Suresh","Anomalous Reaction of Rh~2~(OAc)~4~-Generated Transient Carbonyl Ylides: Chemoselective Synthesis of Epoxy-Bridged Tetrahydropyranone, Oxepanone, Oxocinone, and Oxoninone Ring Systems","Journal of Organic Chemistry","2007","72","","1252","1262","10.1021/jo0621726","","","0.7107","","","0.0689","0.0397","","","0.1059","0.1134","","","","","","1.051","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022686","12.512","0.005","14.172","0.005","13.4","0.007","90","","96.73","0.04","90","","2359.7","1.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C27 H26 Cl2 O3 -","- C27 H26 Cl2 O3 -","- C108 H104 Cl8 O12 -","4","1","","Sengodagounder Muthusamy; Janagiraman Krishnamurthi; Srinivasarao Arulananda Babu; Eringathodi Suresh","Anomalous Reaction of Rh~2~(OAc)~4~-Generated Transient Carbonyl Ylides: Chemoselective Synthesis of Epoxy-Bridged Tetrahydropyranone, Oxepanone, Oxocinone, and Oxoninone Ring Systems","Journal of Organic Chemistry","2007","72","","1252","1262","10.1021/jo0621726","","","0.7093","Mokα","","0.0792","0.0522","","","0.15","0.1607","","","","","","1.011","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022706","7.8209","0.0003","16.504","0.0007","9.119","0.0003","90","","112.812","0.0008","90","","1084.98","0.07","113.2","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C30 H34 -","- C30 H34 -","- C60 H68 -","2","0.5","","Masahiko Shibahara; Motonori Watanabe; Tetsuo Iwanaga; Keiko Ideta; Teruo Shinmyozu","Synthesis, Structure, and Transannular π-π Interaction of Multilayered [3.3]Metacyclophanes","Journal of Organic Chemistry","2007","72","","2865","2877","10.1021/jo062220m","","","0.7107","MoKα","","","0.0435","","","","0.1235","","","","","","1.682","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022707","29.2281","","11.349","0.0001","29.134","","90","","18.4827","0.0002","90","","3063.67","0.05","123.2","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C42 H48 -","- C42 H48 -","- C168 H192 -","4","1","","Masahiko Shibahara; Motonori Watanabe; Tetsuo Iwanaga; Keiko Ideta; Teruo Shinmyozu","Synthesis, Structure, and Transannular π-π Interaction of Multilayered [3.3]Metacyclophanes","Journal of Organic Chemistry","2007","72","","2865","2877","10.1021/jo062220m","","","0.7107","MoKα","","","0.0424","","","","0.1215","","","","","","1.399","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023221","12.498","0.003","8.232","0.003","12.746","0.003","90","","109.81","0.02","90","","1233.7","0.6","180","1","180","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H15 Cl O2 -","- C13 H15 Cl O2 -","- C52 H60 Cl4 O8 -","4","1","","Bernd Schetter; Burkhard Ziemer; Gregor Schnakenburg; Rainer Mahrwald","Tetranuclear BINOL-Titanium Complex in Selective Direct Aldol Additions","Journal of Organic Chemistry","2008","73","","813","819","10.1021/jo7014054","","","0.71073","MoKα","","0.0604","0.0442","","","0.1104","0.1258","","","","","","1.108","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023296","7.4092","0.0006","18.552","0.002","10.841","0.001","90","","107.867","0.008","90","","1418.3","0.3","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H11 F4 N O -","- C17 H11 F4 N O -","- C68 H44 F16 N4 O4 -","4","1","","Tsuyoshi Hosokawa; Akemi Matsumura; Toshimasa Katagiri; Kenji Uneyama","One-Pot Synthesis of 3-Fluoro-4-(trifluoromethyl)quinolines from Pentafluoropropen-2-ol and Their Molecular Modification","Journal of Organic Chemistry","2008","73","","1468","1474","10.1021/jo702568z","","","0.7107","MoKα","","","0.0788","","","","0.1189","","","","","","1.198","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023413","10.3209","0.0006","17.6689","0.0009","12.0767","0.0007","90","","98.913","0.005","90","","2175.7","0.2","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C23 H31 N5 O -","- C23 H33 N5 O -","- C92 H132 N20 O4 -","4","1","","Ahmad Shaabani; Ali Maleki; Hamid Mofakham; Jafar Moghimi-Rad","A Novel One-Pot Pseudo-Five-Component Synthesis of 4,5,6,7-Tetrahydro-1H-1,4-diazepine-5-carboxamide Derivatives","Journal of Organic Chemistry","2008","73","","3925","3927","10.1021/jo8002612","","","0.71073","MoKα","","0.0918","0.083","","","0.179","0.1847","","","","","","1.17","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023484","8.376","0.002","23.27","0.006","12.566","0.003","90","","98.76","0.02","90","","2420.5","1.1","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H23 N3 O4 -","- C28 H23 N3 O4 -","- C112 H92 N12 O16 -","4","1","","Hajime Abe; Hiroshi Machiguchi; Shinya Matsumoto; Masahiko Inouye","Saccharide Recognition-Induced Transformation of Pyridine-Pyridone Alternate Oligomers from Self-Dimer to Helical Complex","Journal of Organic Chemistry","2008","73","","4650","4661","10.1021/jo800599w","","","1.54187","CuKα","","","0.047","","","","0.1644","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023515","19.5654","0.0006","7.7672","0.0004","19.9017","0.0006","90","","92.6734","0.0013","90","","3021.1","0.2","120","","120","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H27.02 N6 O10 -","- C28 H27.022 N6 O10 -","- C112 H108.088 N24 O40 -","4","1","","Ina Bolz; Chulsoon Moon; Volker Enkelmann; Gunther Brunklaus; Stefan Spange","Probing Molecular Recognition in the Solid-State by Use of an Enolizable Chromophoric Barbituric Acid","Journal of Organic Chemistry","2008","73","","4783","4793","10.1021/jo800598z","","","0.71073","MoKα","","0.0661","0.0661","","0.0672","0.0674","0.0674","","","","","","0.9429","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023609","19.1313","0.0015","11.0597","0.0009","22.016","0.0017","90","","91.234","0.002","90","","4657.2","0.7","273.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C46 H48 Cl2 Ge N2 O2 -","- C46 H48 Cl2 Ge N2 O2 -","- C184 H192 Cl8 Ge4 N8 O8 -","4","1","","Shin-ya Tanaka; Nobuo Tagashira; Kouji Chiba; Makoto Yasuda; Akio Baba","Germanium(II)-Mediated Reductive Cross-Aldol Reaction of Bromoaldehydes with Aldehydes: NMR Studies and ab Initio Calculations","Journal of Organic Chemistry","2008","73","","6312","6320","10.1021/jo800904u","","","0.71075","MoKα","","","0.1799","","","","0.198","","","","","","15.755","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4023765","8.4033","0.0006","10.5626","0.0008","13.6778","0.0012","90","","93.253","0.005","90","","1212.1","0.17","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","[2,2']Bi[thieno[3,2-b]thiophenyl] 4,4-dioxide","","- C12 H6 O2 S4 -","- C12 H6 O2 S4 -","- C48 H24 O8 S16 -","4","1","","Lidaris San Miguel; Adam J. Matzger","Regiochemical Effects of Sulfur Oxidation on the Electronic and Solid-State Properties of Planarized Oligothiophenes Containing Thieno[3,2-b]thiophene Units","Journal of Organic Chemistry","2008","73","","7882","7888","10.1021/jo801619q","","","1.54187","CuKα","","0.0327","0.031","","","0.0833","0.0844","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023766","6.09905","0.00015","16.4375","0.0006","6.54633","0.00018","90","","102.879","0.002","90","","639.78","0.03","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","T2O2-O2T2","2,2'-bithieno[3,2-b]thiophene 1,1,1',1'-tetraoxide","","- C12 H6 O4 S4 -","- C12 H6 O4 S4 -","- C24 H12 O8 S8 -","2","0.5","","Lidaris San Miguel; Adam J. Matzger","Regiochemical Effects of Sulfur Oxidation on the Electronic and Solid-State Properties of Planarized Oligothiophenes Containing Thieno[3,2-b]thiophene Units","Journal of Organic Chemistry","2008","73","","7882","7888","10.1021/jo801619q","","","1.54187","CuKα","","0.0349","0.0333","","","0.0809","0.0819","","","","","","1.084","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023792","6.706","0.003","20.431","0.009","6.9139","0.0019","90","","111.03","0.03","90","","884.2","0.6","295","2","295","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-Ethyl-pyrido[1,2-a][1,2,4]-triazol-3-thione","","","- C8 H9 N3 S -","- C8 H9 N3 S -","- C32 H36 N12 S4 -","4","1","","Yajun Ma; Siping Wei; Jingbo Lan; Jingzhi Wang; Rugang Xie; Jingsong You","Pyrido[1,2-a][1,2,4]triazol-3-ylidenes as a New Family of Stable Annulated N-Heterocyclic Carbenes: Synthesis, Reactivity, and Their Application in Coordination Chemistry and Organocatalysis","Journal of Organic Chemistry","2008","73","","8256","8264","10.1021/jo801349d","","","0.71073","MoKα","","0.0924","0.0433","","","0.1013","0.1147","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023886","10.992","0.005","11.419","0.005","11.701","0.005","90","0.005","112.083","0.005","90","0.005","1360.9","1","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H36 O4 S4 -","- C28 H36 O4 S4 -","- C56 H72 O8 S8 -","2","0.5","","Ines Vujasinović; Jelena Veljković; Krešimir Molčanov; Biserka Kojić-Prodić; Kata Mlinarić-Majerski","Thiamacrocyclic Lactones: New Ag(I)-Ionophores","Journal of Organic Chemistry","2008","73","","9221","9227","10.1021/jo801143s","","x-ray","1.54179","CuKα","","","0.0429","","","","0.1204","","","","","","1.039","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023890","9.393","0.006","9.113","0.008","10.616","0.003","90","","105.78","0.04","90","","874.5","1","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H20 O4 S4 -","- C14 H20 O4 S4 -","- C28 H40 O8 S8 -","2","0.5","","Ines Vujasinović; Jelena Veljković; Krešimir Molčanov; Biserka Kojić-Prodić; Kata Mlinarić-Majerski","Thiamacrocyclic Lactones: New Ag(I)-Ionophores","Journal of Organic Chemistry","2008","73","","9221","9227","10.1021/jo801143s","","x-ray","1.54179","CuKα","","","0.0341","","","","0.0923","","","","","","1.034","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023891","19.452","0.0017","8.2944","0.0008","22","0.05","90","","115.78","0.13","90","","3196","7","150","2","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C11 H14 Ag F3 O4 S3 -","- C11 H14 Ag F3 O4 S3 -","- C88 H112 Ag8 F24 O32 S24 -","8","2","","Ines Vujasinović; Jelena Veljković; Krešimir Molčanov; Biserka Kojić-Prodić; Kata Mlinarić-Majerski","Thiamacrocyclic Lactones: New Ag(I)-Ionophores","Journal of Organic Chemistry","2008","73","","9221","9227","10.1021/jo801143s","","x-ray","1.54184","CuKα","","","0.135","","","","0.3605","","","","","","1.157","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023893","22.36","0.02","11.045","0.011","23.24","0.03","90","","106.055","0.011","90","","5516","1.1","150.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C57 H68 F3 N O14 -","- C57 H68 F3 N O14 -","- C228 H272 F12 N4 O56 -","4","1","","Yoshimasa Makita; Nobuhiro Kihara; Toshikazu Takata","Quantitative Active Transport in [2]Rotaxane Using a One-Shot Acylation Reaction toward the Linear Molecular Motor","Journal of Organic Chemistry","2008","73","","9245","9250","10.1021/jo8013726","","","0.7107","MoKα","","","0.076","","","","0.261","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024048","9.765","0.005","11.955","0.005","11.725","0.005","90","0.005","98.873","0.005","90","0.005","1352.4","1.1","193","2","193","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C15 F8 O4 -","- C15 F8 O4 -","- C60 F32 O16 -","4","1","","John F. Tannaci; Masahiro Noji; Jennifer McBee; T. Don Tilley","9,10-Dichlorooctafluoroanthracene as a Building Block for n-Type Organic Semiconductors","Journal of Organic Chemistry","2007","72","","5567","5573","10.1021/jo070404a","","","0.71069","MoKα","","0.0366","0.0283","","","0.0689","0.0708","","","","","","0.959","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024200","7.681","0.006","8.366","0.005","21.16","0.02","90","","98.34","0.05","90","","1345.3","2","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1,4-difluoro-benzo[c]phenanthrene-9,10-dihydrodiol","","- C18 H12 F2 O2 -","- C18 H12 F2 O2 -","- C72 H48 F8 O8 -","4","1","","Suyeal Bae; Heduck Mah; Surendrakumar Chaturvedi; Tamara Musafia Jeknic; William M. Baird; Amy K. Katz; H. L. Carrell; Jenny P. Glusker; Takao Okazaki; Kenneth K. Laali; Barbara Zajc; Mahesh K. Lakshman","Synthetic, Crystallographic, Computational, and Biological Studies of 1,4-Difluorobenzo[c]phenanthrene and Its Metabolites","Journal of Organic Chemistry","2007","72","","7625","7633","10.1021/jo071145s","","","0.71073","MoKa","","0.16","0.089","","0.165","0.157","","0.112","","2.016","2.435","2.435","2.435","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024201","7.814","0.007","8.174","0.002","20.263","0.002","90","","94.6","0.02","90","","1290.1","1.2","100","2","100","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","3,4-dihydrodiol-benzo[c]phenanthrene","","- C18 H14 O2 -","- C18 H14 O2 -","- C72 H56 O8 -","4","1","","Suyeal Bae; Heduck Mah; Surendrakumar Chaturvedi; Tamara Musafia Jeknic; William M. Baird; Amy K. Katz; H. L. Carrell; Jenny P. Glusker; Takao Okazaki; Kenneth K. Laali; Barbara Zajc; Mahesh K. Lakshman","Synthetic, Crystallographic, Computational, and Biological Studies of 1,4-Difluorobenzo[c]phenanthrene and Its Metabolites","Journal of Organic Chemistry","2007","72","","7625","7633","10.1021/jo071145s","","","0.71073","MoKα","","0.1116","0.0614","","","0.0949","0.1029","","","","","","1.608","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024392","7.3612","0.0005","11.0472","0.0012","15.508","0.0018","90","","102.165","0.008","90","","1232.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H9 Br2 N O3 -","- C10 H9 Br2 N O3 -","- C40 H36 Br8 N4 O12 -","4","1","","Bichismita Sahu; Guddeangadi N. Gururaja; Shaikh M. Mobin; Irishi N. N. Namboothiri","Facile Synthesis of β-Tribromomethyl and Dibromomethylenated Nitroalkanes via Conjugate Addition of Bromoform to Nitroalkenes","Journal of Organic Chemistry","2009","74","","2601","2604","10.1021/jo802274q","","","0.71073","MoKα","","0.0763","0.0447","","","0.1158","0.129","","","","","","1.081","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024405","19.773","0.002","9.6285","0.0008","20.595","0.002","90","","118.257","0.003","90","","3453.7","0.6","113","2","113","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C39 H41 N3 O3 S -","- C39 H41 N3 O3 S -","- C156 H164 N12 O12 S4 -","4","1","","Ying Cheng; Bo Wang; Xiao-Rong Wang; Jian-Hong Zhang; De-Cai Fang","An Experimental and Theoretical Study on the Interaction of N-Heterocyclic Carbene-Derived 1,3-Dipoles with Methoxycarbonylallenes: Highly Regio- and Stereoselective [3+2]-Cycloadditions Controlled by the Structures of N-Heterocycles of 1,3-Dipoles","Journal of Organic Chemistry","2009","74","","2357","2367","10.1021/jo802687m","","","0.7107","MoKα","","0.0816","0.0686","","","0.168","0.1783","","","","","","1.087","","","","has coordinates,has disorder","178423","2020-10-21","18:00:00",""
"4024484","22.748","0.0002","9.4207","0.0001","28.2634","0.0004","90","","96.7081","0.0005","90","","6015.44","0.12","150","1","150","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C55 H80 I2 O4 P4 Pt2 -","- C55 H80 I2 O4 P4 Pt2 -","- C220 H320 I8 O16 P16 Pt8 -","4","1","","Hai-Bo Yang; Brian H. Northrop; Yao-Rong Zheng; Koushik Ghosh; Matthew M. Lyndon; David C. Muddiman; Peter J. Stang","Synthesis of Six-Component Metallodendrimers via [3 + 3] Coordination-Driven Self-Assembly","Journal of Organic Chemistry","2009","74","","3524","3527","10.1021/jo900067v","","","0.71073","MoKα","","0.0673","0.0398","","","0.0818","0.0908","","","","","","1.023","","","","has coordinates,has disorder","178423","2020-10-21","18:00:00",""
"4024687","13.0847","0.0002","8.9796","0.0001","15.6906","0.0003","90","","92.3403","0.0009","90","","1842.04","0.05","200","","200","","","","","","","","from UoW","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H25 N O3 Si -","- C18 H25 N O3 Si -","- C72 H100 N4 O12 Si4 -","4","1","","Jasmine C. Jury; Nalivela Kumara Swamy; Arife Yazici; Anthony C. Willis; Stephen G. Pyne","Metal-Catalyzed Cycloisomerization Reactions of cis-4-Hydroxy-5-alkynylpyrrolidinones and cis-5-Hydroxy-6-alkynylpiperidinones: Synthesis of Furo[3,2-b]pyrroles and Furo[3,2-b]pyridines","Journal of Organic Chemistry","2009","74","","5523","5527","10.1021/jo9007942","","","0.71073","MoKα","","0.0463","0.0337","","0.0937","0.0906","0.0937","","","","","","0.9169","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024746","14.476","0.012","14.203","0.012","14.986","0.013","90","","113.122","0.037","90","","2833.7","4.2","295","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H28 Br2 N5 O3 Si -","- C25 H28 Br2 N5 O3 Si -","- C100 H112 Br8 N20 O12 Si4 -","4","1","","Qingyi Li; Paul Hurley; Hui Ding; Andrew G. Roberts; Radha Akella; Patrick G. Harran","Exploring Symmetry-Based Logic for a Synthesis of Palau'amine","Journal of Organic Chemistry","2009","74","","5909","5919","10.1021/jo900755r","","","0.71069","MoKα","","0.1206","0.0728","","","0.2129","0.2384","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024772","12.2188","0.0006","11.5364","0.0006","12.5909","0.0007","90","","107.823","0.001","90","","1689.6","0.2","93.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H27 N3 -","- C19 H27 N3 -","- C76 H108 N12 -","4","1","","Yusuke Ohta; Yushi Kubota; Tsuyoshi Watabe; Hiroaki Chiba; Shinya Oishi; Nobutaka Fujii; Hiroaki Ohno","Rapid Access to 3-(Aminomethyl)isoquinoline-Fused Polycyclic Compounds by Copper-Catalyzed Four-Component Coupling, Cascade Cyclization, and Oxidation","Journal of Organic Chemistry","2009","74","","6299","6302","10.1021/jo901090u","","","0.7107","MoKα","","","0.042","","","","0.084","","","","","","1.788","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024792","18.27","0.002","16.5555","0.0017","19.663","0.003","90","","101.596","0.006","90","","5826.2","1.2","113","2","113","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C61 H56 Cl8 N3 O5 -","- C61 H56 Cl8 N3 O5 -","- C244 H224 Cl32 N12 O20 -","4","1","","Hualei Qian; Wan Yue; Yonggang Zhen; Simone Di Motta; Eugenio Di Donato; Fabrizia Negri; Jianqiang Qu; Wei Xu; Daoben Zhu; Zhaohui Wang","Heterocyclic Annelated Di(perylene bisimide): Constructing Bowl-Shaped Perylene Bisimides by the Combination of Steric Congestion and Ring Strain","Journal of Organic Chemistry","2009","74","","6275","6282","10.1021/jo901285k","","","0.7107","MoKα","","0.1055","0.0959","","","0.2568","0.2631","","","","","","1.191","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024822","8.7731","0.0002","22.3043","0.0006","10.5826","0.0003","90","","98.2573","0.0011","90","","2049.31","0.09","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C92 H116 N4 O12 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.1062","0.0493","","0.1124","0.0483","0.0481","","","","","","1.1234","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024919","8.065","0.0003","20.727","0.0008","9.305","0.0004","90","","112.974","0.002","90","","1432.08","0.1","200","2","200","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H15 Br -","- C18 H15 Br -","- C72 H60 Br4 -","4","1","","Gon-Ann Lee; Wen-Chieh Wang; Shih-Fen Jiang; Chih-Yi Chang; Ru-Ting Tsai","The Crossed [2+2] Cycloaddition of 1-Phenylcyclopropene and 1-Bromo-2-phenylcyclopropene","Journal of Organic Chemistry","2009","74","","7994","7997","10.1021/jo901636k","","","0.71073","MoKα","","0.1284","0.0802","","","0.1782","0.1981","","","","","","1.08","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024932","16.3914","0.0003","9.8562","0.0002","17.5824","0.0004","90","","116.384","0.001","90","","2544.67","0.09","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C48 H61 Cl2 O6 Si2 -","- C48 H46 Cl2 O6 Si2 -","- C96 H92 Cl4 O12 Si4 -","2","0.5","","Michael D. Weller; Benson M. Kariuki; Liam R. Cox","Synthesis of Hybrid Masked Triyne-Phenylene Axial Rods Containing (E)-β-Chlorovinylsilanes in the π-Conjugated Framework","Journal of Organic Chemistry","2009","74","","7898","7907","10.1021/jo901766p","","","1.54178","CuKα","","0.0607","0.0473","","","0.1337","0.1469","","","","","","1.018","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4025105","7.925","0.003","24.122","0.004","13.993","0.003","90","","98.51","0.02","90","","2645.3","1.2","295.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H34 Cl2 N2 O6 -","- C24 H34 Cl2 N2 O6 -","- C96 H136 Cl8 N8 O24 -","4","1","","Shin'ichi Nakatsuji; Mitsunori Nobusawa; Hideto Suzuki; Hiroki Akutsu; Jun-ichi Yamada","Spin-Carrying Benzoquinone Derivatives","Journal of Organic Chemistry","2009","74","","9345","9350","10.1021/jo902007m","","","0.71069","MoKα","","","0.0882","","","","0.0671","","","","","","1.186","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025106","7.979","0.005","24.521","0.006","13.898","0.005","90","","98.42","0.04","90","","2690","2","295.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H34 Br2 N2 O6 -","- C24 H34 Br2 N2 O6 -","- C96 H136 Br8 N8 O24 -","4","1","","Shin'ichi Nakatsuji; Mitsunori Nobusawa; Hideto Suzuki; Hiroki Akutsu; Jun-ichi Yamada","Spin-Carrying Benzoquinone Derivatives","Journal of Organic Chemistry","2009","74","","9345","9350","10.1021/jo902007m","","","0.71069","MoKα","","","0.0579","","","","0.0654","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025179","13.5262","0.0002","9.4585","0.0001","14.0927","0.0002","90","","114.902","0.0009","90","","1635.36","0.04","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Tanya A. Bradford; Alan D. Payne; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Practical Synthesis and Reactivity of [3]Dendralene","Journal of Organic Chemistry","2010","75","","491","494","10.1021/jo9024557","","","0.71073","MoKα","","0.0445","0.035","","0.0965","0.0934","0.0965","","","","","","0.9469","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025243","6.823","0.007","7.355","0.008","19.05","0.02","90","0.004","90.427","0.004","90","0.004","956","1.7","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","DPh-NDT","DPh-NDT","","- C26 H16 S2 -","- C26 H16 S2 -","- C52 H32 S4 -","2","0.5","","Shoji Shinamura; Eigo Miyazaki; Kazuo Takimiya","Synthesis, Properties, Crystal Structures, and Semiconductor Characteristics of Naphtho[1,2-b:5,6-b']dithiophene and -diselenophene Derivatives","Journal of Organic Chemistry","2010","75","","1228","1234","10.1021/jo902545a","","","0.7107","MoKα","","0.0674","0.0519","","","0.1201","0.1268","","","","","","0.848","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025301","12.598","0.003","10.033","0.001","14.267","0.002","90","","113.13","0.02","90","","1658.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Methyl 3-cyano-8b-isopropyl-2-methoxy-3aH-furo[3,2-b] indole-4(8bH)-carboxylate.","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","1","","Perla Y. López-Camacho; Pedro Joseph-Nathan; Bárbara Gordillo-Román; Oscar R. Suárez-Castillo; Martha S. Morales-Ríos","Cascade [1,3]-Sigmatropic Rearrangements of Ketene O,O-Acetals: Kinetic and DFT Level Mechanistic Studies","Journal of Organic Chemistry","2010","75","","1898","1910","10.1021/jo902520z","","","1.54184","CuKα","","0.0421","0.0374","","","0.0974","0.0994","","","","","","1.043","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025302","12.831","0.002","10.528","0.002","14.23","0.002","90","","115.7","0.01","90","","1732.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Methyl 3-cyano-8b-tert-butyl-2-methoxy-3aH-furo[3,2-b] indole-4(8bH)-carboxylate.","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C72 H80 N8 O16 -","4","1","","Perla Y. López-Camacho; Pedro Joseph-Nathan; Bárbara Gordillo-Román; Oscar R. Suárez-Castillo; Martha S. Morales-Ríos","Cascade [1,3]-Sigmatropic Rearrangements of Ketene O,O-Acetals: Kinetic and DFT Level Mechanistic Studies","Journal of Organic Chemistry","2010","75","","1898","1910","10.1021/jo902520z","","","1.54184","CuKα","","0.0433","0.0403","","","0.1112","0.1129","","","","","","1.107","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025453","13.88","0.03","6.535","0.009","21.02","0.07","90","","108.24","0.03","90","","1811","8","100.1","","100.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C21 H21 N O4 S -","- C21 H21 N O4 S -","- C84 H84 N4 O16 S4 -","4","1","","Masatoshi Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Thermodynamic Aspects of Thermal Decomposition and Charge-Transfer-Induced Chemiluminescent Decomposition for Bicyclic Dioxetanes Bearing a 4-(Benzothiazol-2-yl)-3-hydroxyphenyl Moiety","Journal of Organic Chemistry","2010","75","","3678","3684","10.1021/jo100449m","","","0.7107","MoKα","","","0.051","","","","0.15","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025454","15.99","0.01","6.294","0.005","20.54","0.04","90","","108.204","0.012","90","","1964","4","150.1","","150.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Masatoshi Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Thermodynamic Aspects of Thermal Decomposition and Charge-Transfer-Induced Chemiluminescent Decomposition for Bicyclic Dioxetanes Bearing a 4-(Benzothiazol-2-yl)-3-hydroxyphenyl Moiety","Journal of Organic Chemistry","2010","75","","3678","3684","10.1021/jo100449m","","","0.7107","MoKα","","","0.034","","","","0.078","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025519","15.0742","0.0003","20.5227","0.0004","16.5372","0.0003","90","","105.975","0.0007","90","","4918.43","0.16","123","2","123","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C82 H38 O8 -","- C82 H38 O8 -","- C328 H152 O32 -","4","1","","Ken Kokubo; Riyah S. Arastoo; Takumi Oshima; Chun-Chih Wang; Yuan Gao; Hsing-Lin Wang; Hao Geng; Long Y. Chiang","Synthesis and Regiochemistry of [60]Fullerenyl 2-Methylmalonate Bisadducts and their Facile Electron-Accepting Properties","Journal of Organic Chemistry","2010","75","","4574","4583","10.1021/jo1007674","","","1.54187","CuKα","","0.0734","0.0688","","","0.1585","0.1607","","","","","","1.112","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025749","10.6573","0.0002","9.6225","0.0002","11.3219","0.0002","90","","117.807","0.001","90","","1026.98","0.04","293","","293","","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H13 N O5 -","- C9 H13 N O5 -","- C36 H52 N4 O20 -","4","1","","José G. Hernández; Eusebio Juaristi","Green Synthesis of α,β- and β,β-Dipeptides under Solvent-Free Conditions","Journal of Organic Chemistry","2010","75","","7107","7111","10.1021/jo101159a","","x-ray","0.71073","MoKα","","0.05","0.0398","","0.0637","0.0543","0.0501","","","","","","1.0615","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025793","15.149","0.012","5.442","0.006","24.33","0.02","90","","99.7","0.03","90","","1977","3","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","1","","Noriko Okamoto; Kei Takeda; Reiko Yanada","Platinum-Catalyzed, One-Pot Tandem Synthesis of Indoles and Isoquinolines via Sequential Rearrangement of Amides and Aminocyclization","Journal of Organic Chemistry","2010","75","","7615","7625","10.1021/jo101347f","","","0.71075","MoK'a","","","0.0361","","","","0.0471","","","","","","0.988","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025950","12.979","0.002","8.4621","0.0015","16.92","0.003","90","","101.129","0.004","90","","1823.4","0.5","298.1","","298","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H16 O3 -","- C26 H16 O3 -","- C104 H64 O12 -","4","1","","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","","","0.052","","","","0.0468","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026487","7.9149","0.0018","13.363","0.003","14.764","0.004","90","","97.933","0.003","90","","1546.6","0.6","203","2","203","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H13 N3 -","- C20 H13 N3 -","- C80 H52 N12 -","4","1","","Eiji Yamaguchi; Fumitoshi Shibahara; Toshiaki Murai","1-Alkynyl- and 1-Alkenyl-3-arylimidazo[1,5-a]pyridines: Synthesis, Photophysical Properties, and Observation of a Linear Correlation between the Fluorescent Wavelength and Hammett Substituent Constants","Journal of Organic Chemistry","2011","76","","6146","6158","10.1021/jo200864x","","","0.71075","MoKα","","0.0675","0.0587","","","0.1621","0.17","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026605","7.68545","0.00015","16.9437","0.0003","9.7925","0.0002","90","","103.049","0.0012","90","","1242.25","0.04","277.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C21 H10 O -","- C42 H20 O2 -","- C84 H40 O4 -","2","0.5","","Toru Amaya; Maiko Hifumi; Michiaki Okada; Yasutomo Shimizu; Toshiyuki Moriuchi; Kouji Segawa; Yoichi Ando; Toshikazu Hirao","Synthesis of Oxosumanenes through Benzylic Oxidation","Journal of Organic Chemistry","2011","76","","8049","8052","10.1021/jo2012412","","","1.54187","CuKα","","","0.0404","","","","0.1266","","","","","","1.135","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026685","10.0389","0.0012","11.3271","0.0016","16.24","0.002","90","","91.606","0.005","90","","1846","0.4","110","2","110","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H20 Br3 O2 -","- C18 H20 Br3 O2 -","- C72 H80 Br12 O8 -","4","1","","Takashi Takeda; Koji Inukai; Kazukuni Tahara; Yoshito Tobe","Electrophilic Transannular Cyclization of Octadehydrodibenzo[12]annulene Reexamined: Indication of the Formation of Both anti- and syn-Indenofluorenes","Journal of Organic Chemistry","2011","76","","9116","9121","10.1021/jo2014593","","x-ray","0.71073","MoKα","","0.054","0.0408","","","0.0952","0.1053","","","","","","1.075","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026939","8.8325","0.0004","14.1648","0.0004","14.7778","0.0005","90","0","99.154","0.005","90","0.005","1825.31","0.12","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H22 O9 -","- C16 H22 O9 -","- C64 H88 O36 -","4","1","","Arif Baran; Merve Bekarlar; Gökay Aydin; Mehmet Nebioglu; Ertan Şahin; Metin Balci","Synthesis of Bishomoinositols and an Entry for Construction of a Substituted 3-Oxabicyclo[3.3.1]nonane Skeleton","Journal of Organic Chemistry","2012","77","","1244","1250","10.1021/jo202494v","","x-ray","0.71073","MoKα","","0.1516","0.0749","","","0.2018","0.223","","","","","","1.045","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4027061","9.5026","0.0004","34.1358","0.0013","9.7418","0.0004","90","","116.922","0.0009","90","","2817.6","0.2","293","","293","","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H15 Cl8 Ir O5 Sn3 -","- C10 H15 Cl8 Ir O5 Sn3 -","- C40 H60 Cl32 Ir4 O20 Sn12 -","4","1","","Arnab Kumar Maity; Sujit Roy","A Multimetallic Piano-Stool Ir-Sn3 Catalyst for Nucleophilic Substitution Reaction of γ-Hydroxy Lactams through N-Acyliminium Ions","Journal of Organic Chemistry","2012","77","","2935","2941","10.1021/jo202359e","","x-ray","0.71073","MoKα","","0.0813","0.0659","","","0.1484","0.1529","","","","","","1.299","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4027195","11.143","0.003","12.249","0.003","15.112","0.004","90","","94.278","0.008","90","","2056.9","0.9","150","","150","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Masatoshi, Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Base-Induced Chemiluminescent Decomposition of Bicyclic Dioxetanes Bearing a (Benzothiazol-2-yl)-3-hydroxyphenyl Group: A Radiationless Pathway Leading to Marked Decline of Chemiluminescence Efficiency","Journal of Organic Chemistry","2012","77","","4725","4731","10.1021/jo300417e","","","0.7107","MoKα","","","0.042","","","","0.055","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027458","10.302","0.0003","9.9176","0.0003","20.2026","0.0008","90","","94.2098","0.0019","90","","2058.55","0.12","150","1","150","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H25 N3 O2 S -","- C23 H25 N3 O2 S -","- C92 H100 N12 O8 S4 -","4","1","","Timothy K. Lane; Brendan R. D'Souza; Janis Louie","Iron-Catalyzed Formation of 2-Aminopyridines from Diynes and Cyanamides","Journal of Organic Chemistry","2012","77","","7555","7563","10.1021/jo3012418","","","0.71073","MoKα","","0.0828","0.0511","","","0.1167","0.1317","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027530","6.527","0.003","22.527","0.009","9.912","0.004","90","","105.66","0.03","90","","1403.3","1","173.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Akari Miyawaki; Daisuke Kikuchi; Masu Niki; Yuki Manabe; Makoto Kanematsu; Hiromasa Yokoe; Masahiro Yoshida; Kozo Shishido","Total Synthesis of Natural Enantiomers of Heliespirones A and Cviathe Diastereoselective Intramolecular Hosomi-Sakurai Reaction","Journal of Organic Chemistry","2012","77","","8231","8243","10.1021/jo3016055","","","0.7107","MoKα","","","0.047","","","","0.088","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027554","8.2952","0.0002","11.0345","0.0003","17.188","0.0004","90","","103.883","0.0014","90","","1527.31","0.07","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H15 N O5 S -","- C15 H15 N O5 S -","- C60 H60 N4 O20 S4 -","4","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.049","0.0334","","0.0884","0.0846","0.0884","","","","","","0.9237","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027556","10.5574","0.0001","11.1904","0.0002","12.0818","0.0002","90","","104.971","0.0009","90","","1378.91","0.04","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H12 Cl3 N O3 -","- C11 H12 Cl3 N O3 -","- C44 H48 Cl12 N4 O12 -","4","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.0341","0.0317","","0.0801","0.0783","0.0801","","","","","","1.0021","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027557","9.7962","0.0004","10.5984","0.0003","13.7503","0.0005","90","","90.062","0.002","90","","1427.61","0.09","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H14 Cl3 N O3 -","- C12 H14 Cl3 N O3 -","- C48 H56 Cl12 N4 O12 -","4","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.047","0.0337","","0.084","0.0772","0.084","","","","","","1.0001","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027604","11.3501","0.0009","10.9536","0.0008","15.5409","0.0013","90","0.001","97.3418","0.0011","90","0.001","1916.3","0.3","153","2","153","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C46 H58 N2 -","- C46 H58 N2 -","- C92 H116 N4 -","2","0.5","","Shin-ichiro Kato; Hiroto Noguchi; Atsushi Kobayashi; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","Bicarbazoles: Systematic Structure-Property Investigations on a Series of Conjugated Carbazole Dimers","Journal of Organic Chemistry","2012","77","","9120","9133","10.1021/jo3016538","","","0.7107","MoKα","","0.0558","0.0538","","","0.1337","0.1354","","","","","","1.122","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027608","10.68236","0.00019","3.83987","0.00007","12.9514","0.0002","90","","111.159","0.001","90","","495.436","0.015","95","2","95","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","FT-TF","5,5'-bithieno[3,2-b]furan","","- C12 H6 O2 S2 -","- C12 H6 O2 S2 -","- C24 H12 O4 S4 -","2","0.5","","John T. Henssler; Adam J. Matzger","Regiochemical Effects of Furan Substitution on the Electronic Properties and Solid-State Structure of Partial Fused-Ring Oligothiophenes","Journal of Organic Chemistry","2012","77","","9298","9303","10.1021/jo301744s","","","1.54187","CuKα","","0.0317","0.0311","","","0.0868","0.0873","","","","","","1.066","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027679","12.0179","0.0004","7.871","0.0003","12.0993","0.0006","90","","115.665","0.001","90","","1031.59","0.07","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","a99me","2-methyl-1,4,5,6-tetrahydro-2H-benzo[c]azocin-3-one","","- C12 H15 N O -","- C12 H15 N O -","- C48 H60 N4 O4 -","4","1","","Agnieszka Witosińska; Bogdan Musielak; Paweł Serda; Maria Owińska; Barbara Rys","Conformation of Eight-Membered Benzoannulated Lactams by Combined NMR and DFT Studies","Journal of Organic Chemistry","2012","77","","9784","9794","10.1021/jo301859h","","x-ray","0.71073","MoKα","","0.0643","0.0445","","","0.1027","0.1162","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4028063","11.009","0.0003","9.033","0.0003","12.537","0.0004","90","","105.775","0.001","90","","1199.78","0.06","298","2","298","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H18 O7 -","- C10 H18 O7 -","- C40 H72 O28 -","4","1","","Himali Y. Godage; Andrew M. Riley; Timothy J. Woodman; Mark P. Thomas; Mary F. Mahon; Barry V. L. Potter","Regioselective Opening of myo-Inositol Orthoesters: Mechanism and Synthetic Utility","Journal of Organic Chemistry","2013","78","","2275","2288","10.1021/jo3027774","","","0.71073","MoKα","","0.056","0.0429","","","0.1104","0.1212","","","","","","1.049","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028068","10.2036","0.0018","14.265","0.0015","18.965","0.003","90","","97.125","0.011","90","","2739.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H30 N4 O8 -","- C28 H30 N4 O8 -","- C112 H120 N16 O32 -","4","1","","Codruţa C. Paraschivescu; Mihaela Matache; Cristian Dobrotă; Alina Nicolescu; Cătălin Maxim; Călin Deleanu; Ileana C. Fărcăşanu; Niculina D. Hădade","Unexpected Formation of N-(1-(2-Aryl-hydrazono)isoindolin-2-yl)benzamides and Their Conversion into 1,2-(Bis-1,3,4-oxadiazol-2-yl)benzenes","Journal of Organic Chemistry","2013","78","","2670","2679","10.1021/jo400023z","","","0.5608","AgKα","","0.1374","0.0778","","","0.1483","0.1709","","","","","","1.031","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028391","12.9383","0.0003","9.6592","0.0003","14.2936","0.0004","90","","100.965","0.001","90","","1753.71","0.08","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H19 O P -","- C24 H19 O P -","- C96 H76 O4 P4 -","4","1","","Chris W. D. Gallop; Mariusz Bobin; Petra Hourani; Jessica Dwyer; S. Mark Roe; Eddy M. E. Viseux","Investigation of the Reductive Cleavage of BINAP and Application to the Rapid Synthesis of Phospholes","Journal of Organic Chemistry","2013","78","","6522","6528","10.1021/jo4006393","","x-ray","0.71073","MoKα","","0.0688","0.0563","","","0.1309","0.1367","","","","","","1.101","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028647","12.7674","0.0003","6.7691","0.0002","16.1154","0.0005","90","","99.797","0.002","90","","1372.44","0.07","200","","200","","","","","","","","local","3","P 1 21/a 1","-P 2yab","14","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","Aymeric Cervi; Paul Aillard; Nourallah Hazeri; Laurent Petit; Christina L. L. Chai; Anthony C. Willis; Martin G. Banwell","Total Syntheses of the Coumarin-Containing Natural Products Pimpinellin and Fraxetin Using Au(I)-Catalyzed Intramolecular Hydroarylation (IMHA) Chemistry","Journal of Organic Chemistry","2013","78","","9876","9882","10.1021/jo401583q","","","0.71073","MoKα","","0.073","0.0554","","0.1298","0.1209","0.1298","","","","","","1.0458","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028701","10.7783","0.0006","31.1615","0.0016","11.9415","0.0007","90","","113.234","0.007","90","","3685.5","0.4","121.16","0.1","121.16","0.1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C39 H59 N4 O2 -","- C39 H59 N4 O2 -","- C156 H236 N16 O8 -","4","1","","Xiao-Yong Duan; Xiu-Long Yang; Ran Fang; Xie-Xue Peng; Wei Yu; Bing Han","Hydrazone Radical Promoted Vicinal Difunctionalization of Alkenes and Trifunctionalization of Allyls: Synthesis of Pyrazolines and Tetrahydropyridazines","Journal of Organic Chemistry","2013","78","","10692","10704","10.1021/jo4016908","","","0.7107","MoKα","","0.1414","0.0747","","","0.1524","0.1875","","","","","","1.033","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028861","11.83","0.002","8.916","0.002","12.804","0.002","90","","99.082","0.009","90","","1333.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-hydroxy-3-(1-hydroxycyclohexyl)-2-methylisoindolin-1-one","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0525","0.0389","","","0.0972","0.1037","","","","","","1.054","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028866","7.9701","0.0009","16.241","0.002","10.4629","0.0011","90","","87.44","0.005","90","","1353","0.3","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(E)-3-(benzo[d][1,3]dioxol-5-ylmethylene)-2-methylisoindolin-1-one","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0731","0.0429","","","0.1006","0.1093","","","","","","1.019","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028870","8.896","0.002","15.281","0.004","10.5883","0.0018","90","","97.549","0.008","90","","1426.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(Z)-3-benzylidene-4,5-dimethoxyisoindolin-1-one","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.096","0.044","","","0.0926","0.1034","","","","","","0.947","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028936","13.4303","0.0007","7.8903","0.0004","13.9246","0.0006","90","","91.425","0.003","90","","1475.12","0.12","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H12 N2 O4 -","- C18 H12 N2 O4 -","- C72 H48 N8 O16 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0505","0.0391","","","0.0885","0.0941","","","","","","1.04","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028937","13.7192","0.0007","7.4109","0.0004","15.3928","0.0007","90","","93.948","0.002","90","","1561.3","0.14","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H11 Cl N2 O4 -","- C18 H11 Cl N2 O4 -","- C72 H44 Cl4 N8 O16 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0431","0.0353","","","0.0894","0.0944","","","","","","1.043","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028938","13.965","0.0006","7.3292","0.0003","15.6911","0.0006","90","","95.712","0.002","90","","1598.05","0.11","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H14 N2 O5 -","- C19 H14 N2 O5 -","- C76 H56 N8 O20 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0433","0.0358","","","0.0912","0.0961","","","","","","1.059","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028940","5.8491","0.0003","27.7737","0.0012","8.361","0.0004","90","","95.084","0.002","90","","1352.91","0.11","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H9 Cl N2 O3 -","- C15 H9 Cl N2 O3 -","- C60 H36 Cl4 N8 O12 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0423","0.0375","","","0.0955","0.0985","","","","","","1.06","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028946","13.6352","0.0016","7.6099","0.0008","21.144","0.002","90","","105.61","0.006","90","","2113","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H18 Cl N3 O3 -","- C25 H18 Cl N3 O3 -","- C100 H72 Cl4 N12 O12 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0956","0.0777","","","0.1578","0.1652","","","","","","1.193","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028992","9.4717","0.0003","26.886","0.0005","10.7925","0.0002","90","","103.667","0.0019","90","","2670.56","0.11","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C32 H20 F6 N2 O3 -","- C32 H20 F6 N2 O3 -","- C128 H80 F24 N8 O12 -","4","1","","Azuma, Takumi; Kobayashi, Yusuke; Sakata, Ken; Sasamori, Takahiro; Tokitoh, Norihiro; Takemoto, Yoshiji","Synthesis and characterization of binary-complex models of ureas and 1,3-dicarbonyl compounds: deeper insights into reaction mechanisms using snap-shot structural analysis.","The Journal of organic chemistry","2014","79","4","1805","1817","10.1021/jo4028775","","","0.71075","MoKα","","0.0665","0.0559","","","0.1399","0.1486","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029567","8.4106","0.0004","9.3443","0.0005","16.3224","0.0008","90","","95.741","0.001","90","","1276.36","0.11","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","1","","García-Egido, Eduardo; Fernandez-Suarez, Miryam; Muñoz, Luis","Synthesis of carbamoyl azides from primary amines and carbon dioxide under mild conditions.","The Journal of organic chemistry","2008","73","7","2909","2911","10.1021/jo702506v","","","0.71073","MoKα","","0.092","0.0663","","","0.2041","0.2356","","","","","","1.067","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4030226","13.1801","0.0006","11.6477","0.0005","13.9929","0.0005","90","","90.152","0.003","90","","2148.15","0.15","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C25 H27 N3 O6 -","- C25 H27 N3 O6 -","- C100 H108 N12 O24 -","4","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.0927","0.0534","","0.1366","0.1167","0.1366","","","","","","0.9606","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030229","10.3961","0.0002","15.5192","0.0005","16.774","0.0004","90","","91.4837","0.0016","90","","2705.4","0.12","200","","200","","","","","","","","local","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H30 O12 -","- C28 H30 O12 -","- C112 H120 O48 -","4","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.0839","0.0523","","0.1324","0.1174","0.1324","","","","","","0.9748","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030324","12.5026","0.0004","13.2431","0.0003","12.5514","0.0004","90","","99.25","0.003","90","","2051.15","0.11","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H20 N2 O3 -","- C26 H20 N2 O3 -","- C104 H80 N8 O12 -","4","1","","Novikov, Mikhail S.; Khlebnikov, Alexander F.; Rostovskii, Nikolai V.; Tcyrulnikov, Sergei; Suhanova, Anna A.; Zavyalov, Kirill V.; Yufit, Dmitry S.","Pseudopericyclic 1,5- versus Pericyclic 1,4- and 1,6-Electrocyclization in Electron-Poor 4-Aryl-2-azabuta-1,3-dienes: Indole Synthesis from 2H-Azirines and Diazo Compounds.","The Journal of organic chemistry","2014","80","1","18","","10.1021/jo501051n","","","0.71073","MoKα","","0.054","0.0401","","","0.0864","0.0939","","","","","","1.057","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030334","8.5949","0.0004","12.6279","0.0006","17.9523","0.001","90","","95.417","0.005","90","","1939.76","0.17","291","2","291","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Zuo, Jian; Wu, Zhi-Jun; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Preparation of 3-Sulfonylated 3,3-Disubstituted Oxindoles by the Addition of Sulfinate Salts to 3-Halooxindoles.","The Journal of organic chemistry","2014","80","1","634","","10.1021/jo502270a","","","1.54184","CuKα","","0.0742","0.0626","","","0.1683","0.181","","","","","","1.085","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030475","10.945","0.002","8.932","0.002","12.564","0.001","90","","102.404","0.009","90","","1199.6","0.4","","","296","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C6 H11 F6 N O3 S2 -","- C6 H11 F6 N O3 S2 -","- C24 H44 F24 N4 O12 S8 -","4","1","","Keszler, D. A.; Winter, B.; Gard, G. L.","The crystal structure of (pentafluoro-lamda6-sulfanyl)(fluorosulfonyl) diethylacetamide","European Journal of Solid State and Inorganic Chemistry","1992","29","","835","855","","","x-ray","0.71069","MoKα","","","0.065","","","0.079","","","","","","","","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030698","5.527","0.007","12.214","0.003","14.003","0.003","90","","92.95","0.02","90","","944","1.2","","","296","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Bi3 Cr2 H O11 -","- Bi3 Cr2 O11 -","- Bi12 Cr8 O44 -","4","1","","Kodialam, S.; Kumada, N.; Mackay, R.; Sleight, A. W.","Crystal structure of a new hydrogen bismuth chromate: HBi3(CrO4)2O3","European Journal of Solid State and Inorganic Chemistry","1994","31","","739","746","","","x-ray","0.71073","MoKα","","","0.041","","","0.048","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030946","7.4209","0.0008","17.0659","0.0017","13.5707","0.0015","90","","97.834","0.013","90","","1702.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","o-(CF3)2-TTF-o-(CO2Me)","4,5-bis(trifluoromethyl)-4',5'-bis(methoxycarbonyl)tetrathiafulvalene","","- C12 H6 F6 O4 S4 -","- C12 H6 F6 O4 S4 -","- C48 H24 F24 O16 S16 -","4","1","","Jeannin, Olivier; Barrière, Frédéric; Fourmigué, Marc","Trifluoromethyl-substituted tetrathiafulvalenes.","Beilstein journal of organic chemistry","2015","11","","647","658","10.3762/bjoc.11.73","","","0.71073","MoKα","","0.0612","0.032","","","0.0706","0.0783","","","","","","0.898","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031109","13.4777","0.0007","9.3088","0.0007","17.2255","0.0013","90","","106.022","0.003","90","","2077.2","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C21.67 H23.67 B N2 O5.67 -","- C21.67 H23.68 B N2 O5.67 -","- C86.68 H94.72 B4 N8 O22.68 -","4","1","","Eberlin, Ludovic; Carboni, Bertrand; Whiting, Andrew","Regioisomeric and Substituent Effects upon the Outcome of the Reaction of 1-Borodienes with Nitrosoarene Compounds.","The Journal of organic chemistry","2015","80","13","6574","6583","10.1021/acs.joc.5b00593","","x-ray","0.71073","MoKα","","0.0661","0.0426","","","0.0955","0.1068","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031121","12.1751","0.0002","9.859","0.0001","14.8593","0.0002","90","","111.057","0.0006","90","","1664.52","0.04","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Green, William D.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Syntheses of Dihydroconduramines (±)-B-1, (±)-E-1, and (±)-F-1 via Diastereoselective Epoxidation of N-Protected 4-Aminocyclohex-2-en-1-ols.","The Journal of organic chemistry","2015","80","13","6609","6618","10.1021/acs.joc.5b00716","","","0.71073","MoKα","","0.1044","0.1012","","0.2218","0.2207","0.2218","","","","","","1.0803","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4031360","17.0691","0.0013","7.8183","0.0004","20.8356","0.0016","90","0.0007","112.602","0.0008","90","0.0007","2567","0.3","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C33 H28 N4 O -","- C33 H28 N4 O -","- C132 H112 N16 O4 -","4","1","","Kato, Shin-Ichiro; Yamada, Yuji; Hiyoshi, Hidetaka; Umezu, Kazuto; Nakamura, Yosuke","Series of Carbazole-Pyrimidine Conjugates: Syntheses and Electronic, Photophysical, and Electrochemical Properties.","The Journal of organic chemistry","2015","80","18","9076","9090","10.1021/acs.joc.5b01409","","","0.7107","MoKα","","0.0551","0.053","","","0.1574","0.1596","","","","","","1.151","","","","has coordinates","160548","2020-10-21","18:00:00",""
"4031371","9.139","","12.278","","6.346","","90","","106.09","","90","","684.182","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N H4)2 Cu (H2 O)6 (S O4)2","","- Cu H20 N2 O14 S2 -","- Cu H20 N2 O14 S2 -","- Cu2 H40 N4 O28 S4 -","2","0.5","","Alcock, N.; Duggan, M.; Murray, A.; Hathaway, B.J.; Tyagi, S.; Hewat, A.W.","The low-temperature crystal structure (203 and 123 K) and electronic properties of diammonium hexa-aquacopper(II) disulphate: a fluxional Cu O6 chromophore","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1984","1984","","7","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031461","11.009","","10.04","","7.483","","90","","109.49","","90","","779.706","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","K2 (O3 S O N H S O3)","","- H K2 N O7 S2 -","- H K2 N O7 S2 -","- H4 K8 N4 O28 S8 -","4","1","","Hall, J.R.; Johnson, R.A.; Kennard, C.H.L.; Skelton, B.W.; Smith, G.; White, A.H.","Crystal structure, and the Infrared and Raman spectra, of potassium hydroxylamine-N,O-disulphonate K2 (O3 S O N H S O3), and of potassium hydroxylaminetrisulphonate sesquihydrate K3 (O3 S O N (S O3)2) (H2 O)1.5","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1980","1980","","2199","2207","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031464","15.785","","15.237","","4.919","","90","","97.4","","90","","1173.24","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","N5 P5 F10","","- F10 N5 P5 -","- F10 N5 P5 -","- F40 N20 P20 -","4","1","","Hartsuiker, J.G.; Wagner, A.J.","Crystal structure of compounds with (N-P)n rings. Part 12. Decafluorocyclopentaphosphazene","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1978","1978","","1425","1430","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031515","11.11","","12.9","","4.28","","90","","98.2","","90","","607.134","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","K2 (Pd (S C N)4)","","- C4 K2 N4 Pd S4 -","- C4 K2 N4 Pd S4 -","- C8 K4 N8 Pd2 S8 -","2","0.5","","Mawby, A.; Pringle, G.E.","The structure of potassium tetrathiocyanatopalladate(II)","Journal of Inorganic and Nuclear Chemistry","1972","34","","2213","2217","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031620","13.1562","","8.2858","","13.526","","90","","90.333","","90","","1474.44","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","(((C H3)2 S) (C O)2 (C2 B9 H10) Rh)","","- C6 H16 B9 O2 Rh S -","- C6 B9 O2 Rh S -","- C24 B36 O8 Rh4 S4 -","4","1","","Douek, N.L.; Welch, A.J.","The chemistry of monoanionic carbaborane ligands. Synthesis and structure of compounds with carbonyl and cycloocta1,5-diene ligands additionally bound to metal atoms, including a cationic carbametallaborane","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1993","1993","","1917","1925","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031877","8.1469","0.0002","21.0989","0.0006","10.1495","0.0003","90","","91.2076","0.0017","90","","1744.22","0.08","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0889","0.0478","","0.1153","0.0988","0.1153","","","","","","0.9578","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031880","8.1146","0.0001","15.1903","0.0003","14.0567","0.0003","90","","105.362","0.001","90","","1670.77","0.05","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0536","0.0376","","0.1055","0.1013","0.1055","","","","","","0.9052","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031882","8.6793","0.0002","22.8503","0.0004","9.6857","0.0002","90","","91.2144","0.0009","90","","1920.48","0.07","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C19.5 H23 Cl N2 O4 -","- C19.5 H23 Cl N2 O4 -","- C78 H92 Cl4 N8 O16 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0933","0.0491","","0.1332","0.1227","0.1332","","","","","","0.8076","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031883","12.8137","0.0001","20.3565","0.0002","19.3212","0.0002","90","","94.288","0.0006","90","","5025.67","0.08","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H29 Cl2 N3 O6 -","- C25 H29 Cl2 N3 O6 -","- C200 H232 Cl16 N24 O48 -","8","2","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0693","0.0379","","0.0934","0.0876","0.0934","","","","","","0.821","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031964","14.8466","0.0006","9.9164","0.0004","15.3707","0.0006","90","","94.973","0.001","90","","2254.43","0.16","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H24 N5 O2 P Pd -","- C25 H24 N5 O2 P Pd -","- C100 H96 N20 O8 P4 Pd4 -","4","1","","Gayakhe, Vijay; Ardhapure, Ajaykumar; Kapdi, Anant R.; Sanghvi, Yogesh S.; Serrano, Jose Luis; García, Luis; Pérez, Jose; García, Joaquím; Sánchez, Gregorio; Fischer, Christian; Schulzke, Carola","Water-Soluble Pd-Imidate Complexes: Broadly Applicable Catalysts for the Synthesis of Chemically Modified Nucleosides via Pd-Catalyzed Cross-Coupling.","The Journal of organic chemistry","2016","81","7","2713","2729","10.1021/acs.joc.5b02475","","","0.71073","MoKα","","0.0274","0.0217","","","0.0531","0.0558","","","","","","0.91","","","","has coordinates","181367","2020-10-21","18:00:00",""
"4032073","7.0004","0.001","21.017","0.003","10.9249","0.0017","90","0.0015","100.084","0.0016","90","0.0015","1582.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1,2-bis(2-phenyl-1H-indol-3-yl)ethyne_1a","","","- C19 H18 N O2 -","- C19 H18 N O2 -","- C76 H72 N4 O8 -","4","1","","Ishikawa, Rino; Iwasawa, Ryosuke; Takiyama, Yuichiro; Yamauchi, Tomokazu; Iwanaga, Tetsuo; Takezaki, Makoto; Watanabe, Motonori; Teramoto, Naozumi; Shimasaki, Toshiaki; Shibata, Mitsuhiro","Synthesis of 1,2-Bis(2-aryl-1H-indol-3-yl)ethynes via 5-exo-Digonal Double Cyclization Reactions of 1,4-Bis(2-isocyanophenyl)buta-1,3-diyne with Aryl Grignard Reagents.","The Journal of organic chemistry","2017","82","1","652","663","10.1021/acs.joc.6b02668","","","0.7107","MoKα","","0.0489","0.0392","","","0.0952","0.1034","","","","","","1.052","","","","has coordinates","193531","2020-10-21","18:00:00",""
"4032406","9.1195","0.0006","27.0857","0.0019","8.3832","0.0006","90","","101.196","0.002","90","","2031.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H17 N3 O5 S2 -","- C22 H17 N3 O5 S2 -","- C88 H68 N12 O20 S8 -","4","1","","Das, Debapratim; Poddar, Puja; Maity, Saurabh; Samanta, Rajarshi","Rhodium(III)-Catalyzed C6-Selective Arylation of 2-Pyridones and Related Heterocycles Using Quinone Diazides: Syntheses of Heteroarylated Phenols.","The Journal of organic chemistry","2017","82","7","3612","3621","10.1021/acs.joc.7b00135","","","0.71073","MoKα","","0.0574","0.0415","","","0.1037","0.1125","","","","","","1.046","","","","has coordinates","196158","2020-10-21","18:00:00",""
"4032593","8.748","0.0006","24.241","0.0013","9.1766","0.0006","90","","118.248","0.002","90","","1714.24","0.19","297.1","","297","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H25 Br N2 -","- C17 H25 Br N2 -","- C68 H100 Br4 N8 -","4","1","","Figliola, Carlotta; Robertson, Katherine N.; Greening, Sarah; Thompson, Alison","Asymmetric Dipyrrin and F-BODIPYs Conjugated to Terminal Alkynes and Alkenes.","The Journal of organic chemistry","2017","82","13","7059","7064","10.1021/acs.joc.7b01129","","","0.7107","MoKα","","","0.0492","","","","0.06","","","","","","1.063","","","","has coordinates","200684","2020-10-21","18:00:00",""
"4032621","9.1845","0.0006","49.152","0.006","9.3517","0.0006","90","","92.324","0.005","90","","4218.2","0.6","300","","300","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C49 H43 N5 O2 S2 Zn -","- C49 H43 N5 O2 S2 Zn -","- C196 H172 N20 O8 S8 Zn4 -","4","1","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","1.54184","CuKα","","0.119","0.1028","","0.2579","0.2467","0.2579","","","","","","0.9997","","","","has coordinates","198584","2020-10-21","18:00:00",""
"4033906","8.6279","0.0001","26.7808","0.0005","9.8839","0.0002","90","","110.472","0.001","90","","2139.55","0.07","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H20 N4 O11 -","- C22 H20 N4 O11 -","- C88 H80 N16 O44 -","4","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0749","0.0438","","0.1052","0.0938","0.1052","","","","","","0.9482","","","","has coordinates","222482","2020-10-21","18:00:00",""
"4034394","15.485","0.003","9.779","0.004","26.384","0.004","90","","96.527","0.003","90","","3969.4","1.9","100","2","100","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C51 H38 Cl4 -","- C51 H38 Cl4 -","- C204 H152 Cl16 -","4","1","","Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Soriente, Annunziata; Geremia, Silvano; Hickey, Neal; Neri, Placido; Gaeta, Carmine","Synthesis, Characterization, and Solid-State Structure of [8]Cycloparaphenylenes with Inherent Chirality.","The Journal of organic chemistry","2019","84","15","9489","9496","10.1021/acs.joc.9b01026","","x-ray","0.7","Synchrotron","","0.1095","0.0912","","","0.2565","0.2725","","","","","","1.034","","","","has coordinates,has disorder","222929","2020-10-21","18:00:00",""
"4034444","13.341","0.006","16.117","0.004","17.567","0.006","90","","108.21","0.02","90","","3588","2","100","2","100","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C80 H112 O6 -","- C80 H112 O6 -","- C160 H224 O12 -","2","0.5","","Tranfić Bakić, Marina; Iuliano, Veronica; Talotta, Carmen; Geremia, Silvano; Hickey, Neal; Spinella, Aldo; De Rosa, Margherita; Soriente, Annunziata; Gaeta, Carmine; Neri, Placido","Threading of Conformationally Stable Calix[6]arene Wheels Substituted at the Methylene Bridges.","The Journal of organic chemistry","2019","84","18","11922","11927","10.1021/acs.joc.9b01779","","x-ray","0.7","Synchrotron","","0.0642","0.05","","","0.1314","0.1427","","","","","","1.049","","","","has coordinates","222962","2020-10-21","18:00:00",""
"4036434","13.164","0.005","18.507","0.007","18.469","0.007","90","","107.362","0.005","90","","4295","3","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C27 H21 N3 S -","- C27 H21 N3 S -","- C216 H168 N24 S8 -","8","2","","Yamaguchi, Kirara; Murai, Toshiaki; Hasegawa, Saki; Miwa, Yohei; Kutsumizu, Shoichi; Maruyama, Toshifumi; Sasamori, Takahiro; Tokitoh, Norihiro","5-N-Arylaminothiazoles as Highly Twisted Fluorescent Monocyclic Heterocycles: Synthesis and Characterization.","The Journal of organic chemistry","2015","80","21","10742","10756","10.1021/acs.joc.5b01963","","","0.71075","MoKα","","0.1393","0.0901","","","0.1917","0.2327","","","","","","1.16","","","","has coordinates","234687","2020-10-21","18:00:00",""
"4036470","11.471","0.0008","7.889","0.0007","15.246","0.001","90","","93.537","0.008","90","","1377.05","0.18","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C64 H64 O8 S4 -","4","1","","Degennaro, Leonardo; Carroccia, Laura; Parisi, Giovanna; Zenzola, Marina; Romanazzi, Giuseppe; Fanelli, Flavio; Pisano, Luisa; Luisi, Renzo","Regio- and Stereoselective Synthesis of Sulfur-Bearing Four-Membered Heterocycles: Direct Access to 2,4-Disubstituted Thietane 1-Oxides.","The Journal of organic chemistry","2015","80","24","12201","12211","10.1021/acs.joc.5b02126","","","0.71073","MoKα","","0.0989","0.0593","","","0.1434","0.1648","","","","","","1.047","","","","has coordinates","234736","2020-10-21","18:00:00",""
"4036546","12.5875","0.0004","11.6251","0.0003","15.0354","0.0004","90","","109.377","0.006","90","","2075.52","0.13","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H20 Br N3 O4 -","- C22 H20 Br N3 O4 -","- C88 H80 Br4 N12 O16 -","4","1","","Stucchi, Mattia; Lesma, Giordano; Meneghetti, Fiorella; Rainoldi, Giulia; Sacchetti, Alessandro; Silvani, Alessandra","Organocatalytic Asymmetric Biginelli-like Reaction Involving Isatin.","The Journal of organic chemistry","2016","81","5","1877","1884","10.1021/acs.joc.5b02680","","x-ray","0.71073","MoKα","","0.0714","0.0443","","","0.12","0.1363","","","","","","1.047","","","","has coordinates","234853","2020-10-21","18:00:00",""
"4036825","9.995","0.002","19.045","0.004","11.123","0.002","90","","98.823","0.01","90","","2092.3","0.7","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1-((3R*,4R*)-2,2-bis(4-methoxyphenyl)-4-methyl-5-oxotetrahydrofuran-3-yl)- 1,3-dimethylurea","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C88 H104 N8 O20 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0917","0.0446","","","0.0922","0.1017","","","","","","0.999","","","","has coordinates","235291","2020-10-21","18:00:00",""
"4036835","23.225","0.011","7.409","0.003","23.144","0.01","90","","31.787","0.01","90","","2097.8","1.7","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(5R*,6R*)-6-(methoxybis(4-methoxyphenyl)methyl)-1,3,5- trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C23 H28 N2 O5 -","- C23 H28 N2 O5 -","- C92 H112 N8 O20 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.161","0.0537","","","0.0702","0.0823","","","","","","0.999","","","","has coordinates","235309","2020-10-21","18:00:00",""
"4036839","23.813","0.002","10.0379","0.0012","23.641","0.002","90","","19.1869","0.0014","90","","1857.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(5R*,6R*)-6-(bis(4-fluorophenyl)(hydroxy)methyl)-1,3,5-trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C20 H20 F2 N2 O3 -","- C20 H20 F2 N2 O3 -","- C80 H80 F8 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0952","0.0471","","","0.0963","0.1085","","","","","","0.993","","","","has coordinates","235316","2020-10-21","18:00:00",""
"4036840","8.9757","0.0014","10.4492","0.0012","18.317","0.003","90","","94.339","0.004","90","","1713","0.4","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-(5,5-bis(4-fluorophenyl)-3-methyl-2-oxooxazolidin-4-yl)-N-methylacetamide","","- C19 H18 F2 N2 O3 -","- C19 H18 F2 N2 O3 -","- C76 H72 F8 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0696","0.0389","","","0.0871","0.0937","","","","","","1.012","","","","has coordinates","235318","2020-10-21","18:00:00",""
"4036847","8.394","0.003","24.341","0.007","9.028","0.003","90","","84.55","0.03","90","","1836.2","1","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(R*)-2-((S*)-5,5-bis(4-fluorophenyl)-3-methyl-2-oxooxazolidin-4-yl)-2- fluoro-N-methylacetamide","","- C19 H17 F3 N2 O3 -","- C19 H17 F3 N2 O3 -","- C76 H68 F12 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0687","0.0495","","","0.121","0.1295","","","","","","1.059","","","","has coordinates","235329","2020-10-21","18:00:00",""
"4036848","8.674","0.003","13.967","0.007","14.666","0.008","90","","91.24","0.04","90","","1776.4","1.5","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(5R*,6S*)-5-fluoro-6-(5-hydroxy-10,11-dihydro-5H-dibenzo[a,d][7] annulen-5-yl)-1,3-dimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C21 H21 F N2 O3 -","- C21 H21 F N2 O3 -","- C84 H84 F4 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1198","0.0519","","","0.1117","0.1333","","","","","","0.945","","","","has coordinates","235330","2020-10-21","18:00:00",""
"4037372","14.206","0.004","17.517","0.005","15.368","0.003","90","","101.359","0.013","90","","3749.4","1.7","298","2","298","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","4-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-3-methylchroman-2-one","","- C25 H20 O2 -","- C25 H20 O2 -","- C200 H160 O16 -","8","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.2226","0.0502","","","0.0346","0.0422","","","","","","0.842","","","","has coordinates","236031","2020-10-21","18:00:00",""
"4037410","13.9787","0.0005","8.8699","0.0003","17.877","0.0006","90","","93.978","0.001","90","","2211.22","0.13","180","2","180","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H19 N O3 S2 -","- C26 H19 N O3 S2 -","- C104 H76 N4 O12 S8 -","4","1","","Galangau, Olivier; Delbaere, Stéphanie; Ratel-Ramond, Nicolas; Rapenne, Gwénaël; Li, Ruiji; Calupitan, Jan Patrick Dela Cruz; Nakashima, Takuya; Kawai, Tsuyoshi","Dual Photochemical Bond Cleavage for a Diarylethene-Based Phototrigger Containing both Methanolic and Acetic Sources.","The Journal of organic chemistry","2016","81","22","11282","11290","10.1021/acs.joc.6b02256","","","0.71073","MoKα","","0.0678","0.0528","","","","0.1486","","","","","","1.012","","","","has coordinates","236102","2020-10-21","18:00:00",""
"4038493","23.94","0.011","28.05","0.013","23.991","0.011","90","","119.85","0.008","90","","13973","11","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C147 H132 N16 O27 Zn -","- C147 H132 N16 O27 Zn -","- C588 H528 N64 O108 Zn4 -","4","1","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Makhseed, Saad","Multivalent Allyl-Substituted Macrocycles as Non-Aggregating Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00859","","","0.71075","MoKα","","0.1687","0.1287","","","0.3375","0.3647","","","","","","1.259","","","","has coordinates,has disorder","253112","2020-10-21","18:00:00",""
"4060125","14.2343","0.0007","12.7285","0.0006","16.3992","0.0008","90","","92.0787","0.001","90","","2969.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","complex10","","","- C31 H38 Fe O P2 Si -","- C31 H38 Fe O P2 Si -","- C124 H152 Fe4 O4 P8 Si4 -","4","1","","Masaaki Okazaki","","Organometallics","2005","","","","","10.1021/om0492294","","x-ray","0.71069","MoKα","","0.1122","0.0832","","","0.1384","0.1479","","","","","","1.278","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060170","14.922","0.003","15.2334","0.0018","17.253","0.003","90","","95.452","0.008","90","","3904.1","1.2","253","2","253","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C40 H49 F3 O2 Ru2 Si2 -","- C40 H49 F3 O2 Ru2 Si2 -","- C160 H196 F12 O8 Ru8 Si8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049328h","","","0.71069","MoKα","","0.085","0.0493","","","0.1034","0.1145","","","","","","0.942","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060539","12.6104","0.0003","26.2334","0.0007","16.4217","0.0002","90","","103.418","0.001","90","","5284.2","0.2","173","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C55.4 H79.6 N1.2 O4 W -","- C55.4 H79.6 N1.2 O4 W -","- C221.6 H318.4 N4.8 O16 W4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050103w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060609","18.6201","0.0001","10.8135","0.0001","20.8519","0.0002","90","","108.758","0.001","90","","3975.49","0.06","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C44 H49 F N4 O2 Ru -","- C44 H49 F N4 O2 Ru -","- C176 H196 F4 N16 O8 Ru4 -","4","1","","","","Organometallics","2006","","","","","10.1021/om0507427","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178495","2020-10-21","18:00:00",""
"4060701","18.624","0.0002","10.788","0.0001","20.845","0.0002","90","","108.802","0.001","90","","3964.6","0.07","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C44 H50 N4 O3 Ru -","- C44 H49.7 N4 O3 Ru -","- C176 H198.8 N16 O12 Ru4 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178496","2020-10-21","18:00:00",""
"4061056","14.133","0.004","22.108","0.006","29.505","0.008","90","","99.7","0.03","90","","9087","4","155.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C90 H92 F12 N2 O2 P8 Pt3 -","- C90 H80 F12 N2 O2 P8 Pt3 -","- C360 H320 F48 N8 O8 P32 Pt12 -","4","1","","Tanase, Tomoaki; Goto, Eri; Begum, Rowshan A.; Hamaguchi, Makiko; Zhan, Shuzhong; Iida, Masayasu; Sakai, Ken","Reactive Rigid-Rod Organometallic Polymers Involving Linear Triplatinum Units Connected by π-Conjugated Bisisocyanides","Organometallics","2004","23","25","5975","5988","10.1021/om0494566","","","","","","","","","","","","","","","","","","","","","has coordinates","209958","2020-10-21","18:00:00",""
"4061107","11.9872","0.0005","28.281","0.001","13.9403","0.0007","90","","94.231","0.003","90","","4713","0.4","193.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C53 H61 B Ir2 S2 -","- C53 H61 B Ir2 S2 -","- C212 H244 B4 Ir8 S8 -","4","1","","Lobana, Tarlok S.; Isobe, Kiyoshi; Kitayama, Hiroaki; Nishioka, Takanori; Doe, Matsumi; Kinoshita, Isamu","Nucleophilicity of Ligated S~2~^2-^ Ions. Conversion of Organic Chlorides into Organosulfur Compounds incis-[(MCp*)~2~(μ-CH~2~)~2~(μ-S2R)]^+^ (M = Rh, Ir)","Organometallics","2004","23","22","5347","5352","10.1021/om0495067","","","","","","","","","","","","","","","","","","","","","has coordinates","209970","2020-10-21","18:00:00",""
"4061161","14.888","0.003","8.022","0.004","16.723","0.003","90","","113.51","0.03","90","","1831.6","1","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C19 H24 N O2 Ta -","- C19 H28 N O2 Ta -","- C76 H112 N4 O8 Ta4 -","4","1","","Fandos, R.; Lopez-Solera, I.; Otero, A.; Rodriguez, A.M.; Ruiz, MJ.; Terreros, P.","Synthesis and Reactivity of Monocyclopentadienyl Tantalum Complexes with Pincer Dialkoxide Ligands.","Organometallics","2004","","","","","10.1021/om049582+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178508","2020-10-21","18:00:00",""
"4061215","16.103","0.002","8.642","0.001","17.032","0.002","90","","114.11","0.05","90","","2163.4","0.4","173","2","173","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C23 H23 Cl N O P Pt -","- C23 H23 Cl N O P Pt -","- C92 H92 Cl4 N4 O4 P4 Pt4 -","4","1","","Oberbeckmann-Winter, Nicola; Braunstein, Pierre; Welter, Richard","Electrophilic Activation: Unexpected Metal‒Metal Bond-Assisted Tl+ Chelation by a Pt-Benzyl Moiety Instead of Chloride Abstraction","Organometallics","2004","23","26","6311","6318","10.1021/om049282s","","","","","","","","","","","","","","","","","","","","","has coordinates","209881","2020-10-21","18:00:00",""
"4061218","11.094","0.001","12.717","0.001","16.605","0.001","90","","104.04","0.05","90","","2272.7","0.3","173","2","173","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C23.5 H22 Cl2 N O2 P Pt -","- C23.5 H22 Cl2 N O2 P Pt -","- C94 H88 Cl8 N4 O8 P4 Pt4 -","4","1","","Oberbeckmann-Winter, Nicola; Braunstein, Pierre; Welter, Richard","Electrophilic Activation: Unexpected Metal‒Metal Bond-Assisted Tl+ Chelation by a Pt-Benzyl Moiety Instead of Chloride Abstraction","Organometallics","2004","23","26","6311","6318","10.1021/om049282s","","","","","","","","","","","","","","","","","","","","","has coordinates","209881","2020-10-21","18:00:00",""
"4061378","17.9746","0.0003","27.7046","0.0006","16.6001","0.0003","90","","90.846","0.001","90","","8265.6","0.3","213.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C95 H77 B N4 O4 P4 Rh4 -","- C95 H77 B N4 O4 P4 Rh4 -","- C380 H308 B4 N16 O16 P16 Rh16 -","4","1","","Tanaka, Shukichi; Dubs, Christian; Inagaki, Akiko; Akita, Munetaka","Tetranuclear Complexes Based on a Dynamic Metal-Metal Linkage, [(μ~4~-X)Rh~4~(CO)~4~(PNNP)~2~]^n+^ (X/n = RC⋮C/1 (Acetylide), C~2~/0 (Dicarbide))","Organometallics","2004","23","3","317","319","10.1021/om034315+","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061406","17.043","0.007","14.992","0.006","23.022","0.009","90","","109.605","0.002","90","","5541.3","3.9","223.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C30 H22 O5 Ru2 Sn -","- C30 H22 O5 Ru2 Sn -","- C240 H176 O40 Ru16 Sn8 -","8","2","","Gridnev, Ilya D.; del Rosario, Mia Karenina C.","","Organometallics","2005","","","","","10.1021/om050039i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061592","21.6066","0.0002","29.4422","0.0002","31.0882","0.0003","90","","91.023","0.001","90","","19773.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C204 H180 Fe4 N8 P8 -","- C204 Fe4 N8 P8 -","- C816 Fe16 N32 P32 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050403d","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4062176","19.276","0.012","18.25","0.012","9.935","0.007","90","","96.6","0.05","90","","3472","4","150","1","150","1","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C37 H23 B F15 N Ni O2 -","- C37 H23 B F15 N Ni O2 -","- C148 H92 B4 F60 N4 Ni4 O8 -","4","1","","Shim, Chang Bo; Kim, Young Heui; Lee, Bun Yeoul; Dong, Yongkwan; Yun, Hoseop","[2-(Alkylideneamino)benzoato]nickel(II) Complexes: Active Catalysts for Ethylene Polymerization","Organometallics","2003","22","21","4272","4280","10.1021/om0303303","","","","","","","","","","","","","","","","","","","","","has coordinates","192084","2020-10-21","18:00:00",""
"4062319","20.2345","0.0008","15.8819","0.0006","24.428","0.001","90","","91.356","0.001","90","","7848","0.5","160","1","160","1","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C73 H96 Cl O13 P2 Rh Si8 -","- C73 H96 Cl O13 P2 Rh Si8 -","- C292 H384 Cl4 O52 P8 Rh4 Si32 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178519","2020-10-21","18:00:00",""
"4062422","14.8574","0.0006","10.9612","0.0004","17.2178","0.0005","90","","107.723","0.0012","90","","2670.93","0.16","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C26 H23 Fe2 Ga N2 O6 -","- C26 H23 Fe2 Ga N2 O6 -","- C104 H92 Fe8 Ga4 N8 O24 -","4","1","","Ueno, Keiji; Watanabe, Takahito; Tobita, Hiromi; Ogino, Hiroshi","Synthesis and Structure of the First Dinuclear Complex Bridged by a Substituent-Free Gallium Atom","Organometallics","2003","22","22","4375","4377","10.1021/om034073d","","","","","","","","","","","","","","","","","","","","","has coordinates","192089","2020-10-21","18:00:00",""
"4062520","15.5038","0.0008","11.4661","0.0006","18.013","0.001","90","","92.326","0.001","90","","3199.5","0.3","143.2","","143.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H53 B O2 P3 Rh -","- C29 H53 B O2 P3 Rh -","- C116 H212 B4 O8 P12 Rh4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om030686e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062880","9.487","0.001","10.136","0.002","13.331","0.003","90","","97.759","0.01","90","","1270","0.4","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H13 N Se -","- C14 H13 N Se -","- C56 H52 N4 Se4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0497339","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062889","13.646","0.0009","6.006","0.0007","20.478","0.0014","90","","96.767","0.006","90","","1666.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H10 Fe2 O6 -","- C18 H10 Fe2 O6 -","- C72 H40 Fe8 O24 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049739y","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062971","11.9568","0.0007","16.075","0.001","21.155","0.001","90","","105.516","0.001","90","","3917.9","0.4","153.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H20 N O P Zr -","- C22 H20 O1.88 P Zr -","- C176 H160 O15.04 P8 Zr8 -","8","2","","","","Organometallics","2004","","","","","10.1021/om0497994","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062995","10.611","0.002","35.051","0.007","9.682","0.0019","90","","105.03","0.03","90","","3477.8","1.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C39 H45 N Ni P2 -","- C39 H45 N Ni P2 -","- C156 H180 N4 Ni4 P8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0498145","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4063186","15.833","0.0003","10.667","0.0002","19.879","0.0004","90","","100.676","0.0011","90","","3299.26","0.11","110","2","110","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C37 H42 N O3.5 Ta -","- C37 H40 N O3.5 Ta -","- C148 H160 N4 O14 Ta4 -","4","1","","Groysman, Stanislav; Goldberg, Israel; Kol, Moshe; Genizi, Elisheva; Goldschmidt, Zeev","Tribenzyl Tantalum(V) Complexes of Amine Bis(phenolate) Ligands: Investigation of α-Abstraction vs. Ligand-β-Abstraction Paths","Organometallics","2004","23","8","1880","1890","10.1021/om0499761","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4063196","8.705","0.009","30.38","0.01","8.167","0.004","90","","91.53","0.06","90","","2159","2","296","1","296","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H4 As Cl F18 -","- C18 H4 As Cl F18 -","- C72 H16 As4 Cl4 F72 -","4","1","","Neil Burford; Charles L. B. Macdonald; Daren J. LeBlanc; T. Stanley Cameron","Synthesis and Characterization of Bis(2,4,6-tris(trifluoromethyl)phenyl) Derivatives of Arsenic and Antimony: X-ray Crystal Structures of As(RF)2Cl, Sb(RF)2Cl, and Sb(RF)2OSO2CF3","Organometallics","2000","19","","152","155","10.1021/om990768w","","","0.71073","MoKα","","","0.067","","","0.073","0.073","","","","","","1.73","","","","has coordinates,has disorder","178526","2020-10-21","18:00:00",""
"4063547","14.647","0.002","16.757","0.002","19.581","0.003","90","","90.797","0.004","90","","4805.5","1.1","193.1","","193.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C48 H58 N2 S4 Ta2 -","- C48 H58 N2 S4 Ta2 -","- C192 H232 N8 S16 Ta8 -","4","1","","Takada, Ryoichi; Hirotsu, Masakazu; Nishioka, Takanori; Hashimoto, Hideki; Kinoshita, Isamu","Sulfur-Bridged Ta‒M (M = Mo, Cr) Multinuclear Complexes Bearing a Four-Electron-Reduced Dinitrogen Ligand","Organometallics","2011","30","16","4232","","10.1021/om200596v","","","0.7107","MoKα","","0.0905","0.0605","","","0.0948","0.1027","","","","","","1.145","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063954","12.1843","0.0009","20.2214","0.0015","13.8982","0.001","90","","109.942","0.0016","90","","3219","0.4","298.1","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C34 H50 O Os P2 -","- C34 H50 O Os P2 -","- C136 H200 O4 Os4 P8 -","4","1","","Ogasawara, Masamichi; Shintani, Minoru; Watanabe, Susumu; Sakamoto, Takeshi; Nakajima, Kiyohiko; Takahashi, Tamotsu","Preparation of Osmium η5-Phospholide Complexes and Their Reactions with Acyl Electrophiles: C═O Bond Cleavage and C−C Bond Formation within the Metal Coordination Sphere","Organometallics","2011","30","6","1487","","10.1021/om101060n","","","0.71075","MoKα","","","0.0472","","","","0.0967","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063966","16.742","0.006","11.467","0.003","18.309","0.005","90","","102.033","0.013","90","","3437.7","1.8","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C30 H50 Co2 N2 O4 -","- C30 H50 Co2 N2 O4 -","- C120 H200 Co8 N8 O16 -","4","1","","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","","0.058","0.0404","","","0.1141","0.1256","","","","","","1.016","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4064088","18.72","0.004","8.585","0.002","19.149","0.004","90","","105.616","0.009","90","","2963.9","1.1","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C32 H39 N O3 Ru2 -","- C32 H39 N O3 Ru2 -","- C128 H156 N4 O12 Ru8 -","4","1","","Takemoto, Shin; Kobayashi, Tomoharu; Ito, Takahiro; Inui, Akira; Karitani, Kenji; Katagiri, Sayuri; Masuhara, Yusaku; Matsuzaka, Hiroyuki","Synthesis and Reactivity of Coordinatively Unsaturated Dinuclear Ruthenium Bridging Imido Complexes","Organometallics","2011","30","8","2160","","10.1021/om1011227","","","0.71075","MoKα","","0.038","0.0338","","","0.0851","0.0879","","","","","","1.065","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064227","13.9107","0.0016","9.2872","0.0014","15.615","0.003","90","","109.052","0.012","90","","1906.8","0.5","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H10 Co2 Fe O6 -","- C20 H10 Co2 Fe O6 -","- C80 H40 Co8 Fe4 O24 -","4","1","","Nievas, Ángel; González, Jorge J.; Hernández, Elisa; Delgado, Esther; Martín, Avelino; Casado, Carmen M.; Alonso, Beatriz","Hydrosilylation of Ferrocenylalkyne−Dicobalthexacarbonyl Complexes. Model Reactions for the Synthesis of Organometallic Dendrimers","Organometallics","2011","30","7","1920","","10.1021/om1011903","","x-ray","0.71073","MoKα","","0.0821","0.0389","","","0.0824","0.1009","","","","","","0.847","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064346","9.035","0.005","36.801","0.005","10.84","0.005","90","0.005","99.37","0.005","90","0.005","3556","3","223","2","223","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","6satMesHG2","","","- C38 H46 Cl2 N2 O Ru -","- C38 H46 Cl2 N2 O Ru -","- C152 H184 Cl8 N8 O4 Ru4 -","4","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Olefin Metathesis Catalysts ContainingN,N′-Diamidocarbenes","Organometallics","2011","30","8","2278","","10.1021/om200061c","","","0.71069","MoKα","","0.0768","0.0624","","","0.1596","0.1766","","","","","","1.006","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064486","14.5564","0.0005","8.1265","0.0002","19.5917","0.0006","90","","112.229","0.001","90","","2145.32","0.11","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H29 N Si2 -","- C22 H29 N Si2 -","- C88 H116 N4 Si8 -","4","1","","Masuda, Kohei; Ohmura, Toshimichi; Suginome, Michinori","2-Vinylindoles As the Four-Atom Component in a Catalytic [4+1] Cycloaddition with a Silylene-Palladium Species Generated from (Aminosilyl)boronic Ester","Organometallics","2011","30","6","1322","","10.1021/om200135u","","","0.71075","MoKα","","0.0451","0.0349","","","0.0882","0.094","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4064657","16.0677","0.001","12.5702","0.0008","18.8993","0.0011","90","","94.35","0.001","90","","3806.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C73 H74 Cl2 N8 O4 Pd4 -","- C73 H74 Cl2 N8 O4 Pd4 -","- C146 H148 Cl4 N16 O8 Pd8 -","2","0.5","","Serrano, José Luis; García, Luis; Pérez, José; Pérez, Eduardo; García, Joaquín; Sánchez, Gregorio; Sehnal, Petr; De Ornellas, Sara; Williams, Thomas J.; Fairlamb, Ian J. S.","Synthesis and Characterization of Imine-Palladacycles Containing Imidate “Pseudohalide” Ligands: Efficient Suzuki‒Miyaura Cross-Coupling Precatalysts and Their Activation To Give Pd0LnSpecies (L = Phosphine)","Organometallics","2011","30","19","5095","","10.1021/om2002443","","","0.71073","MoKα","","0.0873","0.0806","","","0.2419","0.2488","","","","","","1.08","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064666","10.061","0.002","11.892","0.003","13.945","0.003","90","","102.126","0.006","90","","1631.2","0.6","296.1","","296.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H20 O2 S -","- C17 H18 O2 S -","- C68 H72 O8 S4 -","4","1","","Higuchi, Yoshihiro; Atobe, Shingo; Tanaka, Michiru; Kamiya, Ikuyo; Yamamoto, Takuya; Nomoto, Akihiro; Sonoda, Motohiro; Ogawa, Akiya","Cobalt-Catalyzed Thiolative Lactonization of Alkynes with Double CO Incorporation","Organometallics","2011","30","17","4539","","10.1021/om200248f","","","0.71075","MoKα","","","0.1292","","","","0.1304","","","","","","1.17","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064804","18.87","0.003","18.146","0.003","11.1925","0.0013","90","","103.291","0.01","90","","3729.8","1","200","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C43 H44 P2 Pt S2 -","- C43 H44 P2 Pt S2 -","- C172 H176 P8 Pt4 S8 -","4","1","","Hirano, Masafumi; Tatesawa, Shin-ya; Yabukami, Minoru; Ishihara, Yoko; Hara, Yusuke; Komine, Nobuyuki; Komiya, Sanshiro","Carbon‒Hydrogen Bond Cleavage Reaction in Four-Coordinate (2,6-Dimethylbenzenethiolato)platinum(II) Complexes. Dramatic Acceleration by Thiolato Hydrogen Acceptor","Organometallics","2011","30","19","5110","","10.1021/om200345h","","","0.71069","MoKα","","","0.03","","","","0.0725","","","","","","0.564","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065239","7.5434","0.0007","14.7364","0.0017","13.8726","0.0008","90","","99.146","0.008","90","","1522.5","0.2","200","","200","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(Z)-5-bromo-2-(ferrocenylidene)benzofuran-3-one","","- C19 H13 Br Fe O2 -","- C19 H13 Br Fe O2 -","- C76 H52 Br4 Fe4 O8 -","4","1","","Tiwari, Keshri Nath; Monserrat, Jean-Philippe; de Montigny, Fréderic; Jaouen, Gérard; Rager, Marie-Noelle; Hillard, Elizabeth","Synthesis and Structural Characterization of Ferrocenyl-Substituted Aurones, Flavones, and Flavonols","Organometallics","2011","30","20","5424","","10.1021/om200644e","","","0.71073","MoKα","","0.0644","0.0365","","0.0622","0.0506","0.0622","","","","","","0.9735","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065822","16.135","0.005","17.906","0.006","17.808","0.006","90","","104.503","0.004","90","","4981","3","193.1","","193","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C19.5 H23 Cl F6 N3 O4 Rh S2 -","- C19.5 H23 Cl F6 N3 O4 Rh S2 -","- C156 H184 Cl8 F48 N24 O32 Rh8 S16 -","8","2","","Ito, Masato; Tejima, Noriko; Yamamura, Masahiro; Endo, Yoshinori; Ikariya, Takao","Synthesis and Structure of Protic Amine Tethered Rhodium(III) Peralkylcyclopentadienyl Complexes","Organometallics","2010","29","8","1886","","10.1021/om100151m","","","0.7107","MoKα","","","0.0332","","","","0.1199","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4066287","19.6933","0.001","12.9267","0.0006","33.0686","0.0019","90","","96.509","0.003","90","","8364","0.8","103","2","103","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C64 H128 Si12 Sn2 -","- C64 H128 Si12 Sn2 -","- C256 H512 Si48 Sn8 -","4","1","","Mizuhata, Yoshiyuki; Noda, Naoya; Tokitoh, Norihiro","Generation of Stannabenzenes and Their Properties†","Organometallics","2010","29","21","4781","","10.1021/om100382n","","","0.71069","MoKα","","0.3092","0.1464","","","0.2591","0.3499","","","","","","1.107","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4066446","12.543","0.005","17.317","0.006","14.967","0.006","90","","99.651","0.005","90","","3205","2","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C29 H50 O Si5 -","- C29 H50 O Si5 -","- C116 H200 O4 Si20 -","4","1","","Ishida, Shintaro; Iwamoto, Takeaki; Kira, Mitsuo","Reactions of an Isolable Dialkylsilylene with Ketones†","Organometallics","2010","29","21","5526","","10.1021/om1004644","","","0.7107","MoKα","","0.0819","0.066","","","0.1072","0.112","","","","","","1.229","","","","has coordinates","178556","2020-10-21","18:00:00",""
"4066552","19.1114","0.0002","17.4561","0.0002","23.8977","0.0003","90","","113.328","0.0004","90","","7320.82","0.15","150","","150","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Sm2(O2N_Pr)2(BH4)2 . C5H12","","- C71 H122 B2 N2 O4 Sm2 -","- C71 H122 B2 N2 O4 Sm2 -","- C284 H488 B8 N8 O16 Sm8 -","4","1","","Dyer, Hellen E.; Huijser, Saskia; Susperregui, Nicolas; Bonnet, Fanny; Schwarz, Andrew D.; Duchateau, Robbert; Maron, Laurent; Mountford, Philip","Ring-Opening Polymerization ofrac-Lactide by Bis(phenolate)amine-Supported Samarium Borohydride Complexes: An Experimental and DFT Study","Organometallics","2010","29","16","3602","","10.1021/om100513j","","","0.71073","MoKα","","0.0464","0.0318","","0.0502","0.0386","0.0386","","","","","","1.0536","","","","has coordinates","178557","2020-10-21","18:00:00",""
"4066652","18.3723","0.0013","5.1602","0.0004","19.2084","0.0012","90","","95.2419","0.0018","90","","1813.4","0.2","103.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H13 Bi S2 -","- C22 H13 Bi S2 -","- C88 H52 Bi4 S8 -","4","1","","Ohshita, Joji; Matsui, Shigenori; Yamamoto, Roh; Mizumo, Tomonobu; Ooyama, Yousuke; Harima, Yutaka; Murafuji, Toshihiro; Tao, Keisuke; Kuramochi, Yusuke; Kaikoh, Takashi; Higashimura, Hideyuki","Synthesis of Dithienobismoles as Novel Phosphorescence Materials","Organometallics","2010","29","15","3239","","10.1021/om100560n","","","0.71075","MoKα","","","0.0558","","","","0.0675","","","","","","4.126","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4066735","15.0494","0.0003","18.1995","0.0003","17.5116","0.0004","90","","95.986","0.001","90","","4770.13","0.16","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H40 O4 P2 Pt -","- C18 H40 O4 P2 Pt -","- C144 H320 O32 P16 Pt8 -","8","2","","Achard, Thierry; Giordano, Laurent; Tenaglia, Alphonse; Gimbert, Yves; Buono, Gérard","Steric Control in the Synthesis of Phosphinous Acid-Coordinated Mono- and Binuclear Platinum(II) Complexes","Organometallics","2010","29","17","3936","","10.1021/om100602j","","x-ray","0.71073","MoKα","","0.166","0.0665","","","0.0833","0.1027","","","","","","1.024","","","","has coordinates","178559","2020-10-21","18:00:00",""
"4066739","13.278","0.0003","10.29652","0.00019","17.7101","0.0003","90","","109.412","0.001","90","","2283.63","0.08","113","2","113","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","3c","","","- C28 H29 Ir N2 O2 -","- C28 H29 Ir N2 O2 -","- C112 H116 Ir4 N8 O8 -","4","1","","Tsurugi, Hayato; Fujita, Shingo; Choi, Gyeongshin; Yamagata, Tsuneaki; Ito, Syoji; Miyasaka, Hiroshi; Mashima, Kazushi","Carboxylate Ligand-Induced Intramolecular C−H Bond Activation of Iridium Complexes withN-Phenylperimidine-Based Carbene Ligands","Organometallics","2010","29","18","4120","","10.1021/om100604u","","","0.71075","MoKα","","0.0263","0.0249","","","0.0585","0.0611","","","","","","1.132","","","","has coordinates","178559","2020-10-21","18:00:00",""
"4066808","21.311","0.004","14.095","0.003","12.489","0.003","90","","91.66","0.019","90","","3749.9","1.4","295","2","295","","","","","","","","see text","4","P 1 21/a 1","-P 2yab","14","","1,2,3,4,5-penta(methoxycarbonyl)-1'-(2,3,4,5-tetra(methoxycarbonyl)cyclopentadienyl)ruthenocene","","- C35 H34 O20 Ru -","- C35 H34 O20 Ru -","- C140 H136 O80 Ru4 -","4","1","","Micallef, Leanne S.; Loughrey, Bradley T.; Healy, Peter C.; Parsons, Peter G.; Williams, Michael L.","Synthesis, Spectroscopic Characterization, and Cytotoxic Evaluation of Pentasubstituted Ruthenocenyl Esters","Organometallics","2010","29","23","6237","","10.1021/om100645y","","","0.71069","MoKα","","0.0821","0.0438","","","0.1136","0.13","","","","","","1.023","","","","has coordinates","178560","2020-10-21","18:00:00",""
"4067909","18.422","0.004","9.396","0.002","18.534","0.004","90","","116.506","0.008","90","","2870.9","1.1","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C22 H31 F12 In N2 O2 Si -","- C22 H31 F12 In N2 O2 Si -","- C88 H124 F48 In4 N8 O8 Si4 -","4","1","","Normand, Mickael; Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Indium Complexes of Fluorinated Dialkoxy-Diimino Salen-like Ligands for Ring-Opening Polymerization ofrac-Lactide: How Does Indium Compare to Aluminum?","Organometallics","2012","31","4","1448","","10.1021/om200906e","","x-ray","0.71073","MoKα","","0.035","0.0283","","","0.0591","0.0615","","","","","","1.098","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067911","12.6196","0.0016","7.2451","0.0011","18.583","0.003","90","","93.935","0.008","90","","1695","0.4","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C15 H18 Al F6 N O -","- C15 H18 Al F6 N O -","- C60 H72 Al4 F24 N4 O4 -","4","1","","Bouyahyi, Miloud; Roisnel, Thierry; Carpentier, Jean-François","Aluminum Complexes of Bidentate Fluorinated Alkoxy-Imino Ligands: Syntheses, Structures, and Use in Ring-Opening Polymerization of Cyclic Esters","Organometallics","2012","31","4","1458","","10.1021/om200907x","","x-ray","0.71073","MoKα","","0.0654","0.047","","","0.09","0.0972","","","","","","1.032","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067974","14.818","0.002","9.6743","0.0012","19.402","0.003","90","","104.771","0.0018","90","","2689.4","0.6","200","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H31 O2 P Ru -","- C33 H28 O2 P Ru -","- C132 H112 O8 P4 Ru4 -","4","1","","Hirano, Masafumi; Murakami, Masahiro; Kuga, Toshinori; Komine, Nobuyuki; Komiya, Sanshiro","Acid-Promoted sp3C‒H Bond Cleavage in a Series of (2-Allylphenoxo)ruthenium(II) Complexes. Mechanistic Insight into the Aryloxo‒Acid Interaction and Bond Cleavage Reaction","Organometallics","2012","31","1","381","","10.1021/om200974c","","","0.71075","MoKα","","","0.0479","","","","0.1492","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067976","14.794","0.003","9.6171","0.0018","19.264","0.004","90","","104.841","0.003","90","","2649.4","0.9","200","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H28 Br O P Ru -","- C32 H28 Br O P Ru -","- C128 H112 Br4 O4 P4 Ru4 -","4","1","","Hirano, Masafumi; Murakami, Masahiro; Kuga, Toshinori; Komine, Nobuyuki; Komiya, Sanshiro","Acid-Promoted sp3C‒H Bond Cleavage in a Series of (2-Allylphenoxo)ruthenium(II) Complexes. Mechanistic Insight into the Aryloxo‒Acid Interaction and Bond Cleavage Reaction","Organometallics","2012","31","1","381","","10.1021/om200974c","","","0.71075","MoKα","","","0.0452","","","","0.1413","","","","","","0.941","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067977","14.776","0.004","9.721","0.002","19.162","0.005","90","","105.616","0.004","90","","2650.8","1.1","200","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H28 N O3 P Ru -","- C32 H28 N O3 P Ru -","- C128 H112 N4 O12 P4 Ru4 -","4","1","","Hirano, Masafumi; Murakami, Masahiro; Kuga, Toshinori; Komine, Nobuyuki; Komiya, Sanshiro","Acid-Promoted sp3C‒H Bond Cleavage in a Series of (2-Allylphenoxo)ruthenium(II) Complexes. Mechanistic Insight into the Aryloxo‒Acid Interaction and Bond Cleavage Reaction","Organometallics","2012","31","1","381","","10.1021/om200974c","","","0.71075","MoKα","","","0.0494","","","","0.1036","","","","","","0.806","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068419","19.8889","0.0012","10.1284","0.0006","20.0295","0.0012","90","","102.708","0.002","90","","3936","0.4","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C43.7 H45.1 Cl0.3 O2 P2 Pd Ti -","- C43.7 H44.7 Cl0.3 O2 P2 Pd Ti -","- C174.8 H178.8 Cl1.2 O8 P8 Pd4 Ti4 -","4","1","","Mizuta, Tsutomu; Miyaji, Chihiro; Katayama, Takafumi; Ushio, Jun-ichi; Kubo, Kazuyuki; Miyoshi, Katsuhiko","Bi- and Trinuclear Complexes of Group 4 Metal and Palladium Bridged by OPPh2Groups: Synthesis and High Catalytic Activities in Double Hydrophosphinylation of 1-Octyne","Organometallics","2009","28","2","539","","10.1021/om8008298","","","0.71075","MoKα","","0.1741","0.0975","","","0.1535","0.1822","","","","","","1.154","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4068420","19.926","0.0002","10.277","0.0001","32.497","0.0003","90","","93.17","0.001","90","","6644.54","0.11","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C36 H36 O2 P2 Pd Zr -","- C36 H36 O2 P2 Pd Zr -","- C288 H288 O16 P16 Pd8 Zr8 -","8","2","","Mizuta, Tsutomu; Miyaji, Chihiro; Katayama, Takafumi; Ushio, Jun-ichi; Kubo, Kazuyuki; Miyoshi, Katsuhiko","Bi- and Trinuclear Complexes of Group 4 Metal and Palladium Bridged by OPPh2Groups: Synthesis and High Catalytic Activities in Double Hydrophosphinylation of 1-Octyne","Organometallics","2009","28","2","539","","10.1021/om8008298","","","0.71069","MoKα","","0.0616","0.0521","","","0.1437","0.1507","","","","","","1.054","","","","has coordinates,has disorder","178574","2020-10-21","18:00:00",""
"4068421","19.899","0.0001","10.263","0.0001","32.422","0.0001","90","","93.088","0.001","90","","6611.72","0.08","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C36 H36 Hf O2 P2 Pd -","- C36 H36 Hf O2 P2 Pd -","- C288 H288 Hf8 O16 P16 Pd8 -","8","2","","Mizuta, Tsutomu; Miyaji, Chihiro; Katayama, Takafumi; Ushio, Jun-ichi; Kubo, Kazuyuki; Miyoshi, Katsuhiko","Bi- and Trinuclear Complexes of Group 4 Metal and Palladium Bridged by OPPh2Groups: Synthesis and High Catalytic Activities in Double Hydrophosphinylation of 1-Octyne","Organometallics","2009","28","2","539","","10.1021/om8008298","","","0.71069","MoKα","","0.0336","0.031","","","0.0793","0.0807","","","","","","1.04","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068461","11.748","0.004","15.925","0.004","18.487","0.004","90","","97.46","0.02","90","","3429.4","1.6","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C39 H31 Cl3 N P Pt -","- C39 H31 Cl3 N P Pt -","- C156 H124 Cl12 N4 P4 Pt4 -","4","1","","Martín, Raquel; Crespo, Margarita; Font-Bardia, Mercè; Calvet, Teresa","Five- and Seven-Membered Metallacycles in [C,N,N′] and [C,N] Cycloplatinated Compounds","Organometallics","2009","28","2","587","","10.1021/om800864f","","","0.71073","MoKα","","0.0524","0.0374","","","0.0859","0.0908","","","","","","1.146","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068524","9.3691","0.0005","23.7556","0.0013","10.1652","0.0005","90","","104.076","0.0014","90","","2194.5","0.2","273.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C42 H52 Cl2 In2 P2 -","- C42 H52 Cl2 In2 P2 -","- C84 H104 Cl4 In4 P4 -","2","0.5","","Yasuda, Makoto; Kiyokawa, Kensuke; Osaki, Kenji; Baba, Akio","Radical Coupling of Iodocarbonyl Compounds with Butenylindium Generated by Transmetalation between Cyclopropylmethylstannane and Indium Halides","Organometallics","2009","28","1","132","","10.1021/om8009156","","","0.71075","MoKα","","","0.0449","","","","0.0576","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068541","19.3262","0.0004","17.6404","0.0003","20.3767","0.0004","90","","112.483","0.003","90","","6418.9","0.3","175","2","175","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C34 H58 Mn -","- C34 H58 Mn -","- C272 H464 Mn8 -","8","2","","Walter, Marc D.; Sofield, Chadwick D.; Booth, Corwin H.; Andersen, Richard A.","Spin Equilibria in Monomeric Manganocenes: Solid-State Magnetic and EXAFS Studies","Organometallics","2009","28","7","2005","","10.1021/om800922j","","","0.71073","MoKα","","0.0978","0.0491","","","0.1068","0.1266","","","","","","0.981","","","","has coordinates","178575","2020-10-21","18:00:00",""
"4068543","18.5652","0.0018","22.341","0.002","19.5687","0.0019","90","","108.735","0.002","90","","7686.4","1.3","131","2","131","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H58 Mn Si6 -","- C28 H58 Mn Si6 -","- C224 H464 Mn8 Si48 -","8","2","","Walter, Marc D.; Sofield, Chadwick D.; Booth, Corwin H.; Andersen, Richard A.","Spin Equilibria in Monomeric Manganocenes: Solid-State Magnetic and EXAFS Studies","Organometallics","2009","28","7","2005","","10.1021/om800922j","","","0.71073","MoKα","","0.0934","0.0532","","","0.1275","0.1468","","","","","","1.007","","","","has coordinates,has disorder","178575","2020-10-21","18:00:00",""
"4068785","9.0679","0.0011","16.1554","0.0017","10.0257","0.0011","90","","107.737","0.004","90","","1398.9","0.3","173.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H20 O2 -","- C16 H20 O2 -","- C64 H80 O8 -","4","1","","Yamauchi, Yoshihiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Ruthenium-Catalyzed Oxypropargylation of Alkenes","Organometallics","2009","28","1","48","","10.1021/om801092a","","","0.71075","MoKα","","","0.0519","","","","0.1282","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068978","12.4278","0.0006","12.3734","0.0006","12.7793","0.0007","90","","91.7271","0.0017","90","","1964.23","0.17","193.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 Al Cl F5 N O -","- C18 H16 Al Cl F5 N O -","- C72 H64 Al4 Cl4 F20 N4 O4 -","4","1","","Iwasa, Naruhito; Katao, Shohei; Liu, Jingyu; Fujiki, Michiya; Furukawa, Yoshiro; Nomura, Kotohiro","Notable Effect of Fluoro Substituents in the Imino Group in Ring-Opening Polymerization of ε-Caprolactone by Al Complexes Containing Phenoxyimine Ligands","Organometallics","2009","28","7","2179","","10.1021/om8011882","","","0.71075","MoKα","","","0.0319","","","","0.0948","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069001","19.245","0.002","10.3843","0.0011","20.931","0.002","90","","116.442","0.003","90","","3745.4","0.7","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C40 H30 Br2 Cr N3 O Si -","- C40 H30 Br2 Cr N3 O Si -","- C160 H120 Br8 Cr4 N12 O4 Si4 -","4","1","","Kirillov, Evgueni; Roisnel, Thierry; Razavi, Abbas; Carpentier, Jean-François","Chromium(III) Complexes of Sterically Crowded Bidentante {ONR} and Tridentate {ONNR} Naphthoxy-Imine Ligands: Syntheses, Structures, and Use in Ethylene Oligomerization‡","Organometallics","2009","28","8","2401","","10.1021/om801196d","","x-ray","0.71073","MoKα","","0.1434","0.0808","","","0.2367","0.2666","","","","","","1.059","","","","has coordinates","178507","2020-10-21","18:00:00",""
"4069011","27.5968","0.001","8.2103","0.0003","27.1892","0.001","90","","152.136","0.001","90","","2879.2","0.2","120","1","120","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","3a","","","- C33 H37 N2 O2 Ta -","- C33 H37 N2 O2 Ta -","- C132 H148 N8 O8 Ta4 -","4","1","","Tsurugi, Hayato; Ohno, Takashi; Kanayama, Tsuyoshi; Arteaga-Müller, Rocío A.; Mashima, Kazushi","Tantalum−Benzylidene Complexes Supported by C5Me5and Diazadiene Ligands: Synthesis, Kinetic Analysis of the Formation, and Reactive Studies","Organometallics","2009","28","6","1950","","10.1021/om8012019","","","0.71075","MoKα","","0.0511","0.0379","","","0.0939","0.0983","","","","","","1.095","","","","has coordinates","178507","2020-10-21","18:00:00",""
"4069012","12.619","0.004","15.828","0.006","17.562","0.006","90","","104.69","0.03","90","","3393","2","120","1","120","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","7","","","- C38 H47 N3 O2 Ta -","- C38 H47 N3 O2 Ta -","- C152 H188 N12 O8 Ta4 -","4","1","","Tsurugi, Hayato; Ohno, Takashi; Kanayama, Tsuyoshi; Arteaga-Müller, Rocío A.; Mashima, Kazushi","Tantalum−Benzylidene Complexes Supported by C5Me5and Diazadiene Ligands: Synthesis, Kinetic Analysis of the Formation, and Reactive Studies","Organometallics","2009","28","6","1950","","10.1021/om8012019","","","0.71075","MoKα","","0.0814","0.046","","","0.0859","0.0937","","","","","","1.019","","","","has coordinates","178507","2020-10-21","18:00:00",""
"4069481","13.3701","0.0019","9.6363","0.0014","13.491","0.002","90","","90.8299","0.0005","90","","1738","0.4","298.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H18 O4 Pt S2 -","- C14 H18 O4 Pt S2 -","- C56 H72 O16 Pt4 S8 -","4","1","","Nomura, Mitsushiro; Fujii, Takashi; Kajitani, Masatsugu","Platinum Dithiolene Complexes of π-Coordinating and π-Interacting η4-Cyclobutadiene Ligands","Organometallics","2009","28","13","3776","","10.1021/om900222s","","","0.7107","MoKα","","","0.0284","","","","0.0783","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069482","11.429","0.002","9.9809","0.0019","13.087","0.003","90","","96.6553","0.0007","90","","1482.8","0.5","298.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H16 Pt S4 -","- C12 H16 Pt S4 -","- C48 H64 Pt4 S16 -","4","1","","Nomura, Mitsushiro; Fujii, Takashi; Kajitani, Masatsugu","Platinum Dithiolene Complexes of π-Coordinating and π-Interacting η4-Cyclobutadiene Ligands","Organometallics","2009","28","13","3776","","10.1021/om900222s","","","0.7107","MoKα","","","0.0232","","","","0.0706","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069633","13.574","0.003","10.578","0.0017","13.601","0.003","90","","103.415","0.014","90","","1899.6","0.7","200.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H17 Mn N2 O5 Pt -","- C18 H17 Mn N2 O5 Pt -","- C72 H68 Mn4 N8 O20 Pt4 -","4","1","","Komiya, Sanshiro; Ezumi, Sei; Komine, Nobuyuki; Hirano, Masafumi","Visible Light Enhanced Selective Reductive Elimination of a Methylmanganese Complex from a Heterodinuclear Dimethylphenyl(4,4′-di-tert-butyl-2,2′-bipyridine)platinum−Pentacarbonylmanganese Complex","Organometallics","2009","28","13","3608","","10.1021/om900319a","","","0.71069","MoKα","","","0.0292","","","","0.0816","","","","","","0.936","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069748","16.6547","0.0003","10.5277","0.0002","22.7316","0.0004","90","","106.132","0.001","90","","3828.72","0.12","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H60 Ca N6 Si4 -","- C26 H60 Ca N6 Si4 -","- C104 H240 Ca4 N24 Si16 -","4","1","","Arrowsmith, Merle; Heath, Alex; Hill, Michael S.; Hitchcock, Peter B.; Kociok-Köhn, Gabriele","Tris(imidazolin-2-ylidene-1-yl)borate Complexes of the Heavier Alkaline Earths: Synthesis and Structural Studies","Organometallics","2009","28","15","4550","","10.1021/om9003994","","","0.71073","MoKα","","0.0767","0.0505","","","0.119","0.1338","","","","","","1.029","","","","has coordinates","178586","2020-10-21","18:00:00",""
"4070195","15.22","0.003","12.806","0.003","17.477","0.004","90","","115.712","0.0007","90","","3069.1","1.2","103.15","","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C32 H53 B N2 P2 -","- C32 H53 B N2 P2 -","- C128 H212 B4 N8 P8 -","4","1","","Segawa, Yasutomo; Yamashita, Makoto; Nozaki, Kyoko","Diphenylphosphino- or Dicyclohexylphosphino-Tethered Boryl Pincer Ligands: Syntheses of PBP Iridium(III) Complexes and Their Conversion to Iridium−Ethylene Complexes","Organometallics","2009","28","21","6234","","10.1021/om9006455","","","0.7107","MoKα","","0.0387","0.0355","","","0.0821","0.0839","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4070197","12.699","0.004","13.075","0.003","20.824","0.006","90","","102.948","0.0011","90","","3369.7","1.6","133.15","","103","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C32 H53 B Cl Ir N2 P2 -","- C32 H53 B Cl Ir N2 P2 -","- C128 H212 B4 Cl4 Ir4 N8 P8 -","4","1","","Segawa, Yasutomo; Yamashita, Makoto; Nozaki, Kyoko","Diphenylphosphino- or Dicyclohexylphosphino-Tethered Boryl Pincer Ligands: Syntheses of PBP Iridium(III) Complexes and Their Conversion to Iridium−Ethylene Complexes","Organometallics","2009","28","21","6234","","10.1021/om9006455","","","0.7107","MoKα","","0.0424","0.0362","","","0.0651","0.0678","","","","","","1.149","","","","has coordinates","178590","2020-10-21","18:00:00",""
"4070477","11.5011","0.0004","8.2266","0.0003","12.4493","0.0005","90","","113.647","0.002","90","","1078.99","0.07","150","1","150","1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C13 H14 Zr -","- C13 H14 Zr -","- C52 H56 Zr4 -","4","1","","Glöckner, Andreas; Tamm, Matthias; Arif, Atta M.; Ernst, Richard D.","A New Versatile Approach to Substituted Cyclopentadienyl−Cycloheptatrienyl Complexes of Zirconium (Trozircenes)","Organometallics","2009","28","24","7041","","10.1021/om900847y","","","0.71073","MoKα","","0.0341","0.0283","","","0.067","0.0706","","","","","","1.104","","","","has coordinates","178593","2020-10-21","18:00:00",""
"4070479","11.2763","0.0003","8.2112","0.0003","13.6876","0.0005","90","","100.433","0.002","90","","1246.41","0.07","150","1","150","1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C15 H16 Zr -","- C15 H16 Zr -","- C60 H64 Zr4 -","4","1","","Glöckner, Andreas; Tamm, Matthias; Arif, Atta M.; Ernst, Richard D.","A New Versatile Approach to Substituted Cyclopentadienyl−Cycloheptatrienyl Complexes of Zirconium (Trozircenes)","Organometallics","2009","28","24","7041","","10.1021/om900847y","","","0.71073","MoKα","","0.04","0.0303","","","0.0688","0.0739","","","","","","1.032","","","","has coordinates,has disorder","178593","2020-10-21","18:00:00",""
"4070531","17.1182","0.0003","17.3886","0.0003","17.2162","0.0004","90","","111.866","0.0007","90","","4755.92","0.16","150","1","150","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H19 Br17 Cl4 Zr5 -","- C17 H19 Br17 Cl4 Zr5 -","- C68 H76 Br68 Cl16 Zr20 -","4","1","","Glöckner, Andreas; Arif, Atta M.; Ernst, Richard D.","Isolation and Characterization of Bromination Products of Zr(C5H5)2Br2","Organometallics","2008","27","3","327","","10.1021/om700437w","","","0.71073","MoKα","","0.1055","0.0586","","","0.1172","0.1315","","","","","","1.043","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070661","16.519","0.0002","10.743","0.0002","17.38","0.0002","90","","114.699","0.001","90","","2802.15","0.07","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H40 N4 O4 Ru -","- C25 H40 N4 O4 Ru -","- C100 H160 N16 O16 Ru4 -","4","1","","Ellul, Charles E.; Saker, Olly; Mahon, Mary F.; Apperley, David C.; Whittlesey, Michael K.","Cleavage of Ru3(CO)12by N-Heterocyclic Carbenes: Isolation ofcis- andtrans-Ru(NHC)2(CO)3and Reaction with O2To Form Ru(NHC)2(CO)2(CO3)","Organometallics","2008","27","1","100","","10.1021/om700915t","","","0.71073","MoKα","","0.0692","0.0369","","","0.0777","0.0895","","","","","","1.037","","","","has coordinates,has disorder","178595","2020-10-21","18:00:00",""
"4070868","19.8999","0.0012","11.9582","0.0007","20.2828","0.0012","90","","114.655","0.002","90","","4386.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C50 H63 Fe N3 O2 -","- C50 H63 Fe N3 O2 -","- C200 H252 Fe4 N12 O8 -","4","1","","Trovitch, Ryan J.; Lobkovsky, Emil; Bill, Eckhard; Chirik, Paul J.","Functional Group Tolerance and Substrate Scope in Bis(imino)pyridine Iron Catalyzed Alkene Hydrogenation","Organometallics","2008","27","7","1470","","10.1021/om701091z","","","0.71073","MoKα","","0.0956","0.0461","","","0.1116","0.1165","","","","","","0.964","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4071132","10.053","0.002","18.213","0.004","13.751","0.003","90","","91.15","0.003","90","","2517.2","0.9","113.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H42 P Pt Si -","- C25 H42 P Pt Si -","- C100 H168 P4 Pt4 Si4 -","4","1","","Tanabe, Makoto; Ito, Daisuke; Osakada, Kohtaro","Ligand Exchange of Diplatinum Complexes with Bridging Silyl Ligands Involving Si−H Bond Cleavage and Formation","Organometallics","2008","27","10","2258","","10.1021/om7012869","","","0.7107","MoKα","","","0.0603","","","","0.1554","","","","","","0.958","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071144","17.922","0.0003","8.081","0.0005","20.62","0.0007","90","0.002","113.842","0.001","90","0.001","2731.5","0.2","200","2","200","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C30 H33 N Ni P2 -","- C30 H33 N Ni P2 -","- C120 H132 N4 Ni4 P8 -","4","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lee, Pei-Ying","Phosphorus and Olefin Substituent Effects on the Insertion Chemistry of Nickel(II) Hydride Complexes Containing Amido Diphosphine Ligands","Organometallics","2008","27","13","3082","","10.1021/om701294a","","","0.71073","MoKα","","0.0626","0.0415","","","0.096","0.1119","","","","","","1.12","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071288","16.923","0.0015","17.111","0.003","17.928","0.003","90","","116.438","0.012","90","","4648.5","1.3","200","2","200","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C37 H27 Al3 F24 O4 -","- C37 H27 Al3 F24 O4 -","- C148 H108 Al12 F96 O16 -","4","1","","Martínez, Gema; Pedrosa, Sergio; Tabernero, Vanessa; Mosquera, Marta E. G.; Cuenca, Tomás","Controlled Synthesis of Novel Aryloxide Polynuclear Aluminum Species. Study of Their Catalytic Properties in Polymerization Processes†","Organometallics","2008","27","10","2300","","10.1021/om800086a","","","0.71069","MoKα","","0.1087","0.0595","","","0.1524","0.187","","","","","","1.026","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071307","13.962","0.004","15.735","0.004","15.131","0.005","90","","109.378","0.001","90","","3135.8","1.6","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C37 H43 N2 O P S -","- C37 H43 N2 O P S -","- C148 H172 N8 O4 P4 S4 -","4","1","","Nakabuchi, Takashi; Matano, Yoshihiro; Imahori, Hiroshi","Synthesis, Structures, and Coordinating Properties of Phosphole-Containing Hybrid Calixpyrroles","Organometallics","2008","27","13","3142","","10.1021/om800099h","","","0.7107","MoKα","","0.0478","0.0414","","","0.0755","0.0785","","","","","","1.002","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071370","19.0513","0.0003","11.1572","0.0002","24.5895","0.0006","90","","104.595","0.0017","90","","5058.06","0.18","103","2","103","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","compound7","","","- C46 H78 O Si7 -","- C46 H78 O Si7 -","- C184 H312 O4 Si28 -","4","1","","Ozaki, Shuhei; Sasamori, Takahiro; Tokitoh, Norihiro","Synthesis of a 1-Hydrosilene Stable in Solution and Its Unique Properties#","Organometallics","2008","27","10","2163","","10.1021/om8001334","","","0.71069","MoKα","","0.096","0.0627","","","0.1333","0.1509","","","","","","1.086","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071562","20.2421","0.0015","20.231","0.0015","21.0455","0.0017","90","","112.96","0.008","90","","7935.7","1.2","180","","180","","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C138 H198 B2 F40 N O22 Zr6 -","- C138 H198 B2 F40 N O22 Zr6 -","- C276 H396 B4 F80 N2 O44 Zr12 -","2","0.5","","Lorber, Christian; Choukroun, Robert; Vendier, Laure","Reactivity of B(C6F5)3with Simple Early Transition Metal Alkoxides: Alkoxide-Aryl Exchange, THF Ring-Opening, or Acetonitrile CC Coupling","Organometallics","2008","27","19","5017","","10.1021/om800234z","","","","MoKα","","0.1111","0.0474","","","0.1018","0.1191","","","","","","0.869","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071757","17.6283","0.0005","14.9024","0.0004","20.4564","0.0007","90","","113.042","0.0011","90","","4945.2","0.3","153","2","153","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H38 O2 Ru2 -","- C28 H37 O2 Ru2 -","- C224 H296 O16 Ru16 -","8","2","","Takao, Toshiro; Akiyoshi, Kazunori; Suzuki, Hiroharu","Preparation and Properties of Diruthenium Hydrido Complexes Having a Bridging Benzoquinone Ligand: Formation of an Alcohol Adduct of a μ-η2:η2-Benzoquinone Complex through Hydrogen Bonding","Organometallics","2008","27","16","4199","","10.1021/om800363f","","","0.71069","MoKα","","0.0402","0.0333","","","0.0666","0.0689","","","","","","1.103","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071783","14.605","0.0005","8.6048","0.0003","20.1135","0.0007","90","","108.781","0.001","90","","2393.14","0.14","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H41 N O W -","- C26 H40 N O W -","- C104 H160 N4 O4 W4 -","4","1","","Buschhaus, Miriam S. A.; Pamplin, Craig B.; Blackmore, Ian J.; Legzdins, Peter","Transformations of Cyclic Olefins Mediated by Tungsten Nitrosyl Complexes","Organometallics","2008","27","18","4724","","10.1021/om800384z","","","0.71073","MoKα","","0.0495","0.0352","","","0.0821","0.0864","","","","","","1.054","","","","has coordinates,has disorder","178606","2020-10-21","18:00:00",""
"4071794","8.556","0.003","25.215","0.008","17.964","0.006","90","","97.518","0.008","90","","3842","2","193.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H11 N S -","- C17 H11 N S -","- C204 H132 N12 S12 -","12","3","","Shibue, Mayuko; Hirotsu, Masakazu; Nishioka, Takanori; Kinoshita, Isamu","Ruthenium and Rhodium Complexes with Thiolate-Containing Pincer Ligands Produced by C−S Bond Cleavage of Pyridyl-Substituted Dibenzothiophenes","Organometallics","2008","27","17","4475","","10.1021/om8003916","","","0.7107","MoKα","","","0.0564","","","","0.0651","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071865","22.863","0.004","21.865","0.003","30.131","0.005","90","","101.893","0.002","90","","14739","4","113.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C54 H56 Ge4 P2 Pd -","- C54 H56 Ge4 P2 Pd -","- C648 H672 Ge48 P24 Pd12 -","12","3","","Tanabe, Makoto; Ishikawa, Naoko; Hanzawa, Masaya; Osakada, Kohtaro","Mono- and Dinuclear Germapalladacycles Obtained via the Ge−Ge Bond Forming Reactions Promoted by Palladium Complexes","Organometallics","2008","27","19","5152","","10.1021/om8004349","","","0.7107","MoKα","","","0.0562","","","","0.132","","","","","","0.957","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071962","15.869","0.008","7.748","0.004","24.023","0.012","90","","98.136","0.002","90","","2924","3","123.1","","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C31 H38 N2 Ni O4 -","- C31 H38 N2 Ni O4 -","- C124 H152 N8 Ni4 O16 -","4","1","","Matsubara, Kouki; Miyazaki, Satoshi; Koga, Yuji; Nibu, Yoshinori; Hashimura, Takaaki; Matsumoto, Taisuke","An Unsaturated Nickel(0) NHC Catalyst: Facile Preparation and Structure of Ni(0)(NHC)2, Featuring a Reduction Process from Ni(II)(NHC)(acac)2","Organometallics","2008","27","22","6020","","10.1021/om800488x","","","0.7107","MoKα","","0.1186","0.0698","","","0.175","0.2029","","","","","","1.027","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4072077","11.626","0.001","18.686","0.002","14.094","0.002","90","","101.368","0.002","90","","3001.8","0.6","123.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C32 H54 P2 Pt Si2 -","- C29 H47 P2 Pt Si2 -","- C116 H188 P8 Pt4 Si8 -","4","1","","Ochida, Atsuko; Hamasaka, Go; Yamauchi, Yoshihiro; Kawamorita, Soichiro; Oshima, Naoya; Hara, Kenji; Ohmiya, Hirohisa; Sawamura, Masaya","Synthesis, Properties, and Catalytic Applications of Caged, Compact Trialkylphosphine 4-Phenyl-1-phospha-4-silabicyclo[2.2.2]octane","Organometallics","2008","27","21","5494","","10.1021/om8005728","","","0.7107","MoKα","","","0.0743","","","","0.1044","","","","","","3.313","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072325","9.0356","0.0003","27.0393","0.0008","11.4976","0.0003","90","","97.113","0.001","90","","2787.43","0.14","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C31 H34 Fe N4 -","- C31 H34 Fe N4 -","- C124 H136 Fe4 N16 -","4","1","","Ogasawara, Masamichi; Watanabe, Susumu; Nakajima, Kiyohiko; Takahashi, Tamotsu","Preparation of [4]- and [5]Ferrocenophanes by Ruthenium-Catalyzed Ring-Closing Ene−Yne Metathesis","Organometallics","2008","27","24","6565","","10.1021/om8007663","","","0.71075","MoKα","","0.1012","0.0697","","","0.1481","0.1622","","","","","","1.142","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072347","17.156","0.002","11.9022","0.0008","18.1773","0.0015","90","","95.742","0.009","90","","3693.1","0.6","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H68 Li2 N10 Zn2 -","- C24 H68 Li2 N10 Zn2 -","- C96 H272 Li8 N40 Zn8 -","4","1","","Armstrong, David R.; Dougan, Christine; Graham, David V.; Hevia, Eva; Kennedy, Alan R.","Synthesis and Structural Elucidation of Alkyl, Amido, and Mixed Alkyl−Amido “Highly-Coordinated” Zincates","Organometallics","2008","27","23","6063","","10.1021/om800786n","","","0.71073","MoKα","","0.1901","0.086","","","0.1849","0.2103","","","","","","0.865","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072641","14.404","0.005","13.017","0.003","13.027","0.004","90","","101.75","0.03","90","","2391.3","1.3","296.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H30 Cl2 N2 O3 Ru -","- C23 H29 Cl2 N2 O3 Ru -","- C92 H116 Cl8 N8 O12 Ru4 -","4","1","","Himeda, Yuichiro; Onozawa-Komatsuzaki, Nobuko; Sugihara, Hideki; Kasuga, Kazuyuki","Simultaneous Tuning of Activity and Water Solubility of Complex Catalysts by Acid−Base Equilibrium of Ligands for Conversion of Carbon Dioxide","Organometallics","2007","26","3","702","","10.1021/om060899e","","","0.7107","MoKα","","","0.0332","","","","0.0572","","","","","","1.624","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072768","9.99","0.0009","30.731","0.003","10.4568","0.001","90","","97.978","0.001","90","","3179.2","0.5","144","2","144","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C36 H46 N2 O2 Yb -","- C36 H46 N2 O2 Yb -","- C144 H184 N8 O8 Yb4 -","4","1","","Walter, Marc D.; Berg, David J.; Andersen, Richard A.","Coordination of 1,4-Diazabutadiene Ligands to Decamethylytterbocene: Additional Examples of Spin Coupling in Ytterbocene Complexes","Organometallics","2007","26","9","2296","","10.1021/om0610142","","","0.71069","MoKα","","0.1","0.0542","","","0.1108","0.1261","","","","","","0.988","","","","has coordinates","178616","2020-10-21","18:00:00",""
"4072782","21.6997","0.0011","12.2426","0.0006","24.9387","0.0013","90","","94.546","0.002","90","","6604.4","0.6","130","2","130","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C74 H90 B O6 Si2 Y -","- C74 H90 B O6 Si2 Y -","- C296 H360 B4 O24 Si8 Y4 -","4","1","","Nakajima, Yumiko; Okuda, Jun","Reactivity of Monocationic Bis(alkyl) and Dicationic Mono(alkyl) Yttrium Complexes toward Ketones and Carbon Dioxide","Organometallics","2007","26","5","1270","","10.1021/om0610290","","","0.71069","MoKα","","0.0891","0.0504","","","0.104","0.1179","","","","","","1.021","","","","has coordinates,has disorder","178616","2020-10-21","18:00:00",""
"4073114","8.4073","0.0004","10.5641","0.0008","17.632","0.0009","90","","90.688","0.004","90","","1565.88","0.16","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H18 Cl3 O Sn -","- C11 H18 Cl2.997 O Sn -","- C44 H72 Cl11.988 O4 Sn4 -","4","1","","Elhamzaoui, Hicham; Jousseaume, Bernard; Toupance, Thierry; Allouchi, Hassan","α,ω-Bis(trialkynyltin) Compounds with a Linear or Cross-Shaped Spacer","Organometallics","2007","26","16","3908","","10.1021/om070078p","","","0.71073","MoKα","","0.0424","0.0345","","","0.082","0.0856","","","","","","1.094","","","","has coordinates","178620","2020-10-21","18:00:00",""
"4073382","11.277","0.006","17.83","0.008","14.245","0.007","90","","94.076","0.009","90","","2857","2","173.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H30 N3 O2 Ti -","- C31 H40 O3 Ti -","- C124 H160 O12 Ti4 -","4","1","","Zhang, Dao","Unexpected Binuclear Bis(phenolato) Titanium (IV) {[(L)Ti(Ph)]2(μ-OEt)2} Assisted by Carbon−Oxygen Bond Cleavage and Alkali-Metal-Containing Titanium(III) Complexes [Ti(L)2·M(solv)2] (M = Li, Na, K; solv = THF, DME)","Organometallics","2007","26","16","4072","","10.1021/om700298f","","","0.7107","MoKα","","","0.067","","","","0.11","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073384","16.2073","0.0005","16.3911","0.0005","20.669","0.0007","90","","97.077","0.002","90","","5449","0.3","123","2","123","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C54 H80 K O8 Ti -","- C54 H80 K O8 Ti -","- C216 H320 K4 O32 Ti4 -","4","1","","Zhang, Dao","Unexpected Binuclear Bis(phenolato) Titanium (IV) {[(L)Ti(Ph)]2(μ-OEt)2} Assisted by Carbon−Oxygen Bond Cleavage and Alkali-Metal-Containing Titanium(III) Complexes [Ti(L)2·M(solv)2] (M = Li, Na, K; solv = THF, DME)","Organometallics","2007","26","16","4072","","10.1021/om700298f","","","0.7107","MoKα","","0.1562","0.1468","","","0.3321","0.3377","","","","","","1.169","","","","has coordinates","178622","2020-10-21","18:00:00",""
"4073448","18.558","0.003","15.874","0.003","20.342","0.002","90","","112.648","0.012","90","","5530.4","1.6","296","","296","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C54 H51 Cl4 I Ir2 O2 P2 Si -","- C54 H51 Cl4 I Ir2 O2 P2 Si -","- C216 H204 Cl16 I4 Ir8 O8 P8 Si4 -","4","1","","Wu, He-Ping; Ess, Daniel H.; Lanza, Seren; Weakley, Timothy J. R.; Houk, K. N.; Baldridge, Kim K.; Haley, Michael M.","Rearrangement of Iridabenzvalenes to Iridabenzenes and/or η5-Cyclopentadienyliridium(I) Complexes: Experimental and Computational Analysis of the Influence of Silyl Ring Substituents and Phosphine Ligands§","Organometallics","2007","26","16","3957","","10.1021/om700336d","","","0.71073","MoKα","","0.083","0.046","","0.103","","0.05","","","1.81","","","1.92","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073513","25.462","0.0004","12.3405","0.0002","36.7695","0.0006","90","","107.142","0.0007","90","","11040.3","0.3","103","2","103","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C41 H89 Li O2 P Si7 -","- C41 H89 Li O2 P Si7 -","- C328 H712 Li8 O16 P8 Si56 -","8","2","","Sasamori, Takahiro; Matsumoto, Teruyuki; Takeda, Nobuhiro; Tokitoh, Norihiro","Synthesis and Properties of a Rhodium Complex Having a Novel β-Ketophosphenato Ligand, a Heavier Congener of a β-Ketoiminato Ligand#","Organometallics","2007","26","15","3621","","10.1021/om700412g","","","0.71069","MoKα","","0.0998","0.0667","","","0.1635","0.1896","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4073607","9.693","0.0006","36.906","0.0002","10.5513","0.0006","90","","109.456","0.001","90","","3559","0.3","115.2","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C38 H30 F3 Ir N2 O3 S Si2 -","- C38 H30 F3 Ir N2 O3 S Si2 -","- C152 H120 F12 Ir4 N8 O12 S4 Si8 -","4","1","","Sangtrirutnugul, Preeyanuch; Tilley, T. Don","Silyl Derivatives of [Bis(8-quinolyl)methylsilyl]iridium(III) Complexes: Catalytic Redistribution of Arylsilanes and Dehydrogenative Arene Silylation","Organometallics","2007","26","23","5557","","10.1021/om700494q","","","0.7107","MoKα","","0.0373","0.0373","","0.046","","0.046","","","","","","1.54","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4073620","20.0815","0.0012","9.2617","0.0005","20.7209","0.0013","90","","111.883","0.006","90","","3576.2","0.4","180","2","180","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C40 H32 Cl2 O3 P2 Ru -","- C40 H32 Cl2 O3 P2 Ru -","- C160 H128 Cl8 O12 P8 Ru4 -","4","1","","Benhamou, Laure; César, Vincent; Lugan, Noël; Lavigne, Guy","Snapshot of a Chelation-Assisted C−H/Alkyne Coupling: A Ruthenium Complex Caught in the Act of C−C Bond Formation","Organometallics","2007","26","18","4673","","10.1021/om7005003","","x-ray","0.71073","MoKα","","0.0493","0.029","","","0.0709","0.0752","","","","","","1.09","","","","has coordinates,has disorder","178625","2020-10-21","18:00:00",""
"4073656","11.059","0.0002","18.6029","0.0004","15.0804","0.0003","90","","91.052","0.001","90","","3101.96","0.11","200","","200","","","","","","","","?","6","P 1 21/a 1","-P 2yab","14","","","","- C31 H27 Cl2 F6 P2 Sb -","- C31 H27 Cl2 F6 P2 Sb -","- C124 H108 Cl8 F24 P8 Sb4 -","4","1","","Kilah, Nathan L.; Petrie, Simon; Stranger, Robert; Wielandt, J. Wolfram; Willis, Anthony C.; Wild, S. Bruce","Triphenylphosphine-Stabilized Diphenyl-Arsenium, -Stibenium, and -Bismuthenium Salts","Organometallics","2007","26","25","6106","","10.1021/om700512h","","","0.71073","MoKα","","","0.0335","","","","0.0388","","","","","","1.0771","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073829","13.556","0.006","7.224","0.003","18.814","0.007","90","","102.982","0.018","90","","1795.3","1.3","243.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H21 Cl2 N O Ti -","- C17 H21 Cl2 N O Ti -","- C68 H84 Cl8 N4 O4 Ti4 -","4","1","","Zhang, Hao; Katao, Shohei; Nomura, Kotohiro; Huang, Jiling","Synthesis of Half-Titanocenes Containing Phenoxy-imine Ligands and Their Use as Catalysts for Olefin Polymerization","Organometallics","2007","26","24","5967","","10.1021/om700660b","","","0.71075","MoKα","","","0.0259","","","","0.0798","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073924","10.308","0.005","29.438","0.01","9.913","0.004","90","","108.74","0.02","90","","2849","2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C31 H39 Mo2 O2 P -","- C31 H39 Mo2 O2 P -","- C124 H156 Mo8 O8 P4 -","4","1","","García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.; Lanfranchi, Maurizio; Marchio, Luciano","Structure and Bonding in the Unsaturated Hydride- and Hydrocarbyl-Bridged Complexes [Mo2(η5-C5H5)2(μ-X)(μ-PCy2)(CO)2] (X = H, CH3, CH2Ph, Ph). Evidence for the Presence of α-Agostic and π-Bonding Interactions†","Organometallics","2007","26","25","6197","","10.1021/om7007265","","","0.71073","MoKα","","0.1493","0.0508","","","0.058","0.0713","","","","","","0.816","","","","has coordinates","178628","2020-10-21","18:00:00",""
"4074093","14.465","0.005","8.585","0.002","16.138","0.004","90","","116.824","0.011","90","","1788.4","0.9","150","1","150","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H27 N Ti -","- C20 H27 N Ti -","- C80 H108 N4 Ti4 -","4","1","","Wu, Chun Ji; Lee, Sang Hoon; Yun, Hoseop; Lee, Bun Yeoul","Ortho Lithiation of Tetrahydroquinoline Derivatives and Its Use for the Facile Construction of Polymerization Catalysts","Organometallics","2007","26","27","6685","","10.1021/om7010084","","","0.71073","MoKα","","0.0614","0.0407","","","0.0891","0.0973","","","","","","1.03","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074101","12.178","0.003","20.115","0.005","13.9","0.005","90","","109.769","0.011","90","","3204.3","1.6","298.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C34 H50 O P2 Ru -","- C34 H50 O P2 Ru -","- C136 H200 O4 P8 Ru4 -","4","1","","Ogasawara, Masamichi; Sakamoto, Takeshi; Ito, Azumi; Ge, Yonghui; Nakajima, Kiyohiko; Takahashi, Tamotsu; Hayashi, Tamio","Unprecedented Formation of μ-Vinylidene Complexes from Phospharuthenocene and Acyl Chloride via Activation of the CO Double Bond","Organometallics","2007","26","27","6698","","10.1021/om701063k","","","0.71075","MoKα","","","0.0425","","","","0.1548","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074103","11.897","0.003","16.879","0.004","17.761","0.006","90","","90.759","0.013","90","","3566.3","1.7","298.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C34 H53 O1.5 P2 Ru -","- C34 H41 O1.52 P2 Ru -","- C136 H164 O6.08 P8 Ru4 -","4","1","","Ogasawara, Masamichi; Sakamoto, Takeshi; Ito, Azumi; Ge, Yonghui; Nakajima, Kiyohiko; Takahashi, Tamotsu; Hayashi, Tamio","Unprecedented Formation of μ-Vinylidene Complexes from Phospharuthenocene and Acyl Chloride via Activation of the CO Double Bond","Organometallics","2007","26","27","6698","","10.1021/om701063k","","","0.71075","MoKα","","","0.0615","","","","0.2074","","","","","","0.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074225","23.287","0.004","11.9507","0.0017","25.667","0.004","90","","90.019","0.002","90","","7143","1.9","113.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C42 H30 Cl F5 P2 Pd -","- C42 H30 Cl F5 P2 Pd -","- C336 H240 Cl8 F40 P16 Pd8 -","8","2","","Kashiwabara, Taigo; Tanaka, Masato","Decarbonylative Coupling of Fluorobenzoyl Chlorides with Hexamethyldisilane in the Presence of a Palladium Complex Catalyst: Extremely Facile Decarbonylation of Pentafluorobenzoyl‒Pd Complex Relevant to C6F5SiMe3 Formation","Organometallics","2006","25","19","4648","4652","10.1021/om060479p","","","0.7107","MoKα","","","0.0597","","","","0.0773","","","","","","1.031","","","","has coordinates","209825","2020-10-21","18:00:00",""
"4074485","12.325","0.004","25.461","0.009","17.227","0.006","90","","89.957","0.005","90","","5406","3","123.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C56 H78 Mg2 N4 O2 -","- C56 H76 Mg2 N4 O2 -","- C224 H304 Mg8 N16 O8 -","4","1","","Zhang, Dao; Kawaguchi, Hiroyuki","Deprotonation Attempts on Imidazolium Salt Tethered by Substituted Phenol and Construction of Its Magnesium Complex by Transmetalation","Organometallics","2006","25","22","5506","5509","10.1021/om060691t","","","0.7107","MoKα","","","0.067","","","","0.129","","","","","","0.978","","","","has coordinates","209866","2020-10-21","18:00:00",""
"4074574","18.5682","0.0006","10.8947","0.0004","19.3594","0.0008","90","","97.332","0.001","90","","3884.3","0.2","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C44 H40 N4 P2 Ru S2 -","- C44 H40 N4 P2 Ru S2 -","- C176 H160 N16 P8 Ru4 S8 -","4","1","","Dewhurst, Rian D.; Hansen, Andrew R.; Hill, Anthony F.; Smith, Matthew K.","Templated Synthesis and Intact Coordination of a Diorganotriselenane: [RuCl2(PPh3){κ3-Se,N,N‘-Se(mtSe)2}] (mtSe= selenomethimazolyl)","Organometallics","2006","25","25","5843","","10.1021/om0608511","","","0.71073","MoKα","","0.066","0.0423","","","0.0993","0.1117","","","","","","1.011","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074582","17.1694","0.0006","9.0939","0.0004","18.5947","0.0006","90","","109.099","0.002","90","","2743.5","0.18","150.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","complex 3a","complex 3a","","- C30 H36 Fe N2 O Si -","- C30 H36 Fe N2 O Si -","- C120 H144 Fe4 N8 O4 Si4 -","4","1","","Iwata, Masatoshi; Okazaki, Masaaki; Tobita, Hiromi","Insertion of Pyridine into an Iron−Silicon Bond and Photochemical Conversion of the Insertion Product Cp*(OC)Fe{η3(C,C,C)-C5H5NSiMe2NPh2} to a Sandwich Compound","Organometallics","2006","25","26","6115","","10.1021/om060873n","","x-ray","0.7107","MoKα","","","0.0515","","","","0.132","","","","","","1.412","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074754","15.259","0.0005","12.4368","0.0003","17.4895","0.0005","90","0.001","91.318","0.001","90","0.001","3318.16","0.17","140.2","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C27 H24 F6 N5 O6 Rh S2 Si -","- C27 H24 F6 N5 O6 Rh S2 Si -","- C108 H96 F24 N20 O24 Rh4 S8 Si4 -","4","1","","Sangtrirutnugul, Preeyanuch; Stradiotto, Mark; Tilley, T. Don","Rhodium Complexes Containing a Tridentate Bis(8-quinolyl)methylsilyl Ligand: Synthesis and Reactivity","Organometallics","2006","25","7","1607","","10.1021/om050859v","","","0.7107","MoKα","","0.0456","0.0456","","0.0472","","0.0472","","","","","","1.664","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074850","14.975","0.005","8.088","0.005","16.133","0.005","90","0.005","106.651","0.005","90","0.005","1872.1","1.4","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C16 H24 B N4 Rh S2 -","- C16 H24 B N4 Rh S2 -","- C64 H96 B4 N16 Rh4 S8 -","4","1","","Crossley, Ian R.; Hill, Anthony F.; Humphrey, Elizabeth R.; Smith, Matthew K.","A Less Carbocentric View of Agostic Interactions: The Complexes [Rh(η4-cod){H2A(mt)2}] (A = B, C+; mt = Methimazolyl)","Organometallics","2006","25","9","2242","","10.1021/om050942i","","","0.71069","MoKα","","0.0376","0.027","","","0.064","0.0683","","","","","","1.042","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074856","17.1579","0.0004","9.4672","0.0002","22.0701","0.0006","90","","110.489","0.0009","90","","3358.22","0.14","298","","","","","","","","","","Local laboratory","5","P 1 21/a 1","-P 2yab","14","","","","- C40 H37 N Ni P2 -","- C40 H37 N Ni P2 -","- C160 H148 N4 Ni4 P8 -","4","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","MoKα","","0.0617","0.0419","","","0.1269","0.1418","","","","","","0.997","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074862","18.084","0.0003","8.585","0.0002","19.323","0.0004","90","","107.576","0.001","90","","2859.87","0.1","200","2","200","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H45 N Ni P2 -","- C28 H45 N Ni P2 -","- C112 H180 N4 Ni4 P8 -","4","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","MoKα","","0.0804","0.0532","","","0.1235","0.1491","","","","","","1.194","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074879","10.2492","0.0007","29.368","0.001","11.0728","0.0008","90","","99.791","0.001","90","","3284.4","0.3","150","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C34 H48 P2 Si -","- C34 H48 P2 Si -","- C136 H192 P8 Si4 -","4","1","","Ito, Shigekazu; Nishide, Katsunori; Yoshifuji, Masaaki","Structural and Coordination Properties of 3,3-Diphenyl-1- (2,4,6-tri-tert-butylphenyl)-2-(trimethylsilyl)-1,3-diphosphapropene Derivatives Showing Interesting Conformational Features","Organometallics","2006","25","6","1424","1430","10.1021/om050972l","","","0.7107","MoKα","","","0.0462","","","","0.1029","","","","","","1.005","","","","has coordinates","209852","2020-10-21","18:00:00",""
"4074915","13.722","0.004","21.866","0.006","16.436","0.005","90","0.0013","101.82","0.0015","90","0.0013","4827","2","173","2","173","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","Nickel-Complex","","","- C43 H49 Cl2 Ni P S6 Si2 -","- C43 H49 Cl2 Ni P S6 Si2 -","- C172 H196 Cl8 Ni4 P4 S24 Si8 -","4","1","","Kudoh, Kenichi; Okamoto, Toshihiro; Yamaguchi, Shigehiro","Reactions of Fused Polycyclic 1,2-Dithiins with Transition Metals: Synthesis of Heteroacenes via Desulfurization","Organometallics","2006","25","9","2374","","10.1021/om051000g","","","0.7107","MoKα","","0.066","0.0535","","","0.1203","0.1275","","","","","","1.124","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074932","17.186","0.012","10.02","0.003","17.288","0.008","90","","113.78","0.04","90","","2724","3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H30 I2 N4 O2 Pd2 -","- C22 H30 I2 N4 O2 Pd2 -","- C88 H120 I8 N16 O8 Pd8 -","4","1","","Solé, Daniel; Díaz, Sandra; Solans, Xavier; Font-Bardia, Mercè","A Comparative Study of the Chelating Ability of the −N(R)−(CH2)n−CO−N(R)2Framework in σ-Aryl Palladium(II) Complexes Derived from 2-Iodoanilines and 2-Iodobenzylamines. Synthesis of New Types of Terdentate [C,N,O] Pd(II) Complexes and C,N-Bridged Binuclear Pd(II) Compounds","Organometallics","2006","25","8","1995","","10.1021/om051014m","","","0.71073","MoKα","","0.0808","0.0581","","","0.1426","0.1556","","","","","","1.05","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074983","13.7845","0.0003","21.4772","0.0006","22.3609","0.0004","90","","92.42","0.001","90","","6614.1","0.3","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C64 H102 Mg2 N4 Na2 O4 -","- C64 H102 Mg2 N4 Na2 O4 -","- C256 H408 Mg8 N16 Na8 O16 -","4","1","","Hevia, Eva; Henderson, Kenneth W.; Kennedy, Alan R.; Mulvey, Robert E.","Synthesis and Characterization of New Mixed-Metal Sodium−Magnesium Enolates Derived from 2,4,6-Trimethylacetophenone†","Organometallics","2006","25","7","1778","","10.1021/om051076c","","","0.71073","MoKα","","0.1589","0.1238","","","0.3381","0.3601","","","","","","1.08","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4075147","17.805","0.004","8.603","0.002","19.694","0.004","90","","108.07","0.0007","90","","2867.9","1.1","293.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H35 Cl4 Ru2 S2 Sb -","- C22 H35 Cl4 Ru2 S2 Sb -","- C88 H140 Cl16 Ru8 S8 Sb4 -","4","1","","Amitsuka, Takahiko; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi","Mixed-Metal Sulfido Clusters Containing Noble Metals and Group 15 Metals. Stepwise Construction of Bimetallic and Trimetallic Ru2MS2(M = Sb, Bi), Ru2PdSbS2, and Ru2Pd2SbS2Cores","Organometallics","2006","25","12","3034","","10.1021/om060071s","","","0.7107","MoKα","","","0.032","","","","0.108","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075396","15.3023","0.0019","12.3796","0.0015","19.488","0.003","90","","93.025","0.006","90","","3686.6","0.9","120","1","120","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H44 Cl3 N3 O2 W -","- C38 H36 Cl3 N3 O2 W -","- C152 H144 Cl12 N12 O8 W4 -","4","1","","Tsurugi, Hayato; Ohno, Takashi; Yamagata, Tsuneaki; Mashima, Kazushi","Synthesis, Structure, and Reactivity of Tantalum and Tungsten Homoenolate Complexes","Organometallics","2006","25","13","3179","","10.1021/om060264f","","","0.71075","MoKα","","0.0472","0.0353","","","0.1058","0.1125","","","","","","0.848","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075431","16.6095","0.0003","10.6179","0.0002","18.3565","0.0003","90","","92.297","0.002","90","","3234.71","0.1","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","kjc0413","","","- C33 H36 N2 O8 Pd -","- C33 H36 N2 O8 Pd -","- C132 H144 N8 O32 Pd4 -","4","1","","Clement, Nicolas D.; Cavell, Kingsley J.; Ooi, Li-ling","Zerovalent N-Heterocyclic Carbene Complexes of Palladium and Nickel Dimethyl Fumarate: Synthesis, Structure, and Dynamic Behavior","Organometallics","2006","25","17","4155","","10.1021/om0602759","","","0.71073","MoKα","","0.059","0.0429","","","0.0988","0.106","","","","","","1.043","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075504","23.164","0.0008","20.279","0.0009","27.1721","0.001","90","","112.21","0.003","90","","11816.9","0.8","173","2","173","2","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C96 H108 B22 Cl8 Fe2 Mo2 O10 P6 Sn2 -","- C96 H108 B22 Cl8 Fe2 Mo2 O10 P6 Sn2 -","- C384 H432 B88 Cl32 Fe8 Mo8 O40 P24 Sn8 -","4","1","","Gädt, Torben; Eichele, Klaus; Wesemann, Lars","Bimetallic Zwitterionic Complexes with an Ambident Stanna-closo-dodecaborate Ligand: [1-{M(CO)5}-2,7,8-(μ-H)3-{Fe(triphos)}-SnB11H11] (M = Cr, Mo, W)","Organometallics","2006","25","16","3904","","10.1021/om060328m","","","0.71073","MoKα","","0.1622","0.0808","","","0.1256","0.1511","","","","","","1.055","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075586","15.6163","0.0003","8.9018","0.0002","16.8896","0.0004","90","","93.291","0.001","90","","2344","0.09","120","2","120","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H29 Mo2 N O S3 -","- C22 H29 Mo2 N O S3 -","- C88 H116 Mo8 N4 O4 S12 -","4","1","","Ojo, Wilfried-Solo; Paugam, Eddy; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W.","Formation of C−C, C−N, and C−O Links between Isonitrile, Cyclopentadienyl, and Hydroxide Ligands Bound to Molybdenum(III): Syntheses and Crystal Structures of μ-Aminocarbyne and μ-Amino-oxycarbene Dimolybdenum Complexes","Organometallics","2006","25","16","4009","","10.1021/om060383v","","","0.71073","MoKα","","0.0879","0.0501","","","0.1121","0.1354","","","","","","1.081","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075658","7.585","0.003","39.428","0.004","9.54","0.003","90","","110.67","0.02","90","","2669.4","1.4","296.2","","296.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C29 H34 O P2 Pt -","- C29 H34 O P2 Pt -","- C116 H136 O4 P8 Pt4 -","4","1","","Pantcheva, Ivayla; Nishihara, Yasushi; Osakada, Kohtaro","Arylplatinum Complexes with Arylboronate Ligands. Their Preparation, Structure, and Relevance to Transmetalation","Organometallics","2005","24","16","3815","","10.1021/om049050t","","","0.7107","MoKα","","0.0354","0.035","","0.035","","0.035","","","1.388","","","1.39","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075775","17.9746","0.0003","27.7046","0.0006","16.6001","0.0003","90","","90.846","0.001","90","","8265.6","0.3","213.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C95 H77 B N4 O4 P4 Rh4 -","- C95 H77 B N4 O4 P4 Rh4 -","- C380 H308 B4 N16 O16 P16 Rh16 -","4","1","","Tanaka, Shukichi; Dubs, Christian; Inagaki, Akiko; Akita, Munetaka","Polynuclear Rhodium Complexes with Dinucleating PNNP Ligand: Dynamic and Diverse M···M Interactions in [(μ-X)Rh2(PNNP)(CO)2]n+and [(μ4-X)Rh4(PNNP)2(CO)4]n+[X = H, O, C⋮C−R, R−C⋮C−R, C⋮C, CHCH2, SMe2;n= 0, 1: PNNP = 3,5-bis(diphenylphosphinomethyl)pyrazolato]","Organometallics","2005","24","1","163","","10.1021/om049427v","","","0.7107","MoKα","","","0.0431","","","","0.127","","","","","","0.687","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075950","17.669","0.019","15.984","0.012","18.49","0.03","90","","115.389","0.012","90","","4718","10","173","2","173","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C48 H88 Ni P2 -","- C48 H88 Ni P2 -","- C192 H352 Ni4 P8 -","4","1","","Jones, Gavin D.; Vicic, David A.","A 1-Norbornene Adduct of a Transition Metal and an Electrochemical Study of the Bridgehead Olefin Complex","Organometallics","2005","24","16","3821","","10.1021/om0503388","","","0.7107","MoKα","","0.1013","0.0777","","","0.1779","0.1929","","","","","","1.109","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4076030","11.932","0.0012","12.494","0.0011","18.179","0.0014","90","","95.373","0.008","90","","2698.2","0.4","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C36 H30 Fe3 -","- C36 H30 Fe3 -","- C144 H120 Fe12 -","4","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","","0.0736","0.0342","","","0.0803","0.0968","","","","","","0.919","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076064","22.0174","0.0007","12.4833","0.0006","10.7855","0.0003","90","","116.344","0.002","90","","2656.53","0.18","293","2","180","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Compound 2","","","- C25 H45 Mg O5 Y -","- C25 H43.8 Mg O5 Y -","- C100 H175.2 Mg4 O20 Y4 -","4","1","","Sánchez-Barba, Luis F.; Hughes, David L.; Humphrey, Simon M.; Bochmann, Manfred","Synthesis and Structures of New Mixed-Metal Lanthanide/Magnesium Allyl Complexes","Organometallics","2005","24","22","5329","","10.1021/om0505155","","","0.71073","Mo-Kα","","0.0553","0.0427","","","0.0963","0.1017","","","","","","1.092","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076307","10.7646","0.0004","32.2519","0.0008","13.6095","0.0005","90","","104.14","0.003","90","","4581.8","0.3","120","2","120","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C56 H53 Fe N P2 -","- C56 H53 Fe N P2 -","- C224 H212 Fe4 N4 P8 -","4","1","","Grelaud, Guillaume; Cador, Olivier; Roisnel, Thierry; Argouarch, Gilles; Cifuentes, Marie P.; Humphrey, Mark G.; Paul, Frédéric","Triphenylamine Derivatives with Para-Disposed Pendant Electron-Rich Organoiron Alkynyl Substituents: Defining the Magnetic Interactions in a Trinuclear Iron(III) Trication","Organometallics","2012","31","5","1635","","10.1021/om2006358","","x-ray","0.71073","MoKα","","0.0926","0.0513","","","0.1244","0.133","","","","","","1.036","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076674","10.0955","0.0007","26.7","0.002","10.7924","0.0008","90","","103.413","0.009","90","","2829.7","0.4","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","{(η5-Cp)(NO)(μ-CO)[μ-⋮C-C(CH3)3]W-AuPPh3}","{(η5-Cp)(NO)(μ-CO)[μ-⋮C-C(CH3)3]W-AuPPh3}","","- C30 H29 Au N O2 P W -","- C30 H29 Au N O2 P W -","- C120 H116 Au4 N4 O8 P4 W4 -","4","1","","Ipaktschi, Junes; Munz, Frank","η2-Alkynyl and Vinylidene Transition Metal Complexes. 8.1Synthesis of Bimetallic Tungsten Gold Complexes by Addition of ClAuPPh3to the Acetylide Li[(η5-C5H5)(CO)(NO)W(C⋮C−R)]","Organometallics","2002","21","5","977","","10.1021/om010923i","","","0.71073","MoKα","","0.0379","0.0295","","","0.0754","0.079","","","","","","0.927","","","","has coordinates","194600","2020-10-21","18:00:00",""
"4076783","9.184","0.003","26.208","0.009","9.354","0.003","90","","112.43","0.02","90","","2081.1","1.2","150","1","150","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H32 O2 Si2 W -","- C18 H32 O2 Si2 W -","- C72 H128 O8 Si8 W4 -","4","1","","Ueno, Keiji; Asami, Satsuki; Watanabe, Nobuhiko; Ogino, Hiroshi","Synthesis of Self-Stabilized and Donor-Free Silyl(silylene)tungsten Complexes","Organometallics","2002","21","7","1326","","10.1021/om020023h","","","0.71073","MoKα","","0.0756","0.0578","","","0.1524","0.1669","","","","","","1.029","","","","has coordinates","178656","2020-10-21","18:00:00",""
"4076860","9.1428","0.0017","32.708","0.002","9.7927","0.0009","90","","94.343","0.012","90","","2920","0.6","296","","296","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C33 H32 Ir O P Si -","- C33 H32 Ir O P Si -","- C132 H128 Ir4 O4 P4 Si4 -","4","1","","Wu, He-Ping; Lanza, Seren; Weakley, Timothy J. R.; Haley, Michael M.","Metallabenzenes and Valence Isomers. 3. Unexpected Rearrangement of Two Regioisomeric Iridabenzenes to an (η5-Cyclopentadienyl)iridium(I) Complex","Organometallics","2002","21","14","2824","","10.1021/om0201563","","","0.71073","MoKα","","0.032","0.022","","0.052","","0.025","","","1.17","","","1.19","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076875","12.742","0.0004","10.1132","0.0005","17.4682","0.0008","90","","99.374","0.003","90","","2220.93","0.17","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H34 Cl2 N P2 V -","- C17 H34 Cl2 N P2 V -","- C68 H136 Cl8 N4 P8 V4 -","4","1","","Bradley, Sam; Camm, Kenneth D.; Furtado, Stephen J.; Gott, Andrew L.; McGowan, Patrick C.; Podesta, Thomas J.; Thornton-Pett, Mark","Synthesis and Structure of Amino-Functionalized Cyclopentadienyl Vanadium Complexes and Evaluation of Their Butadiene Polymerization Behavior","Organometallics","2002","21","16","3443","","10.1021/om020170f","","","0.71069","MoKα","","0.0534","0.0472","","","0.1217","0.1271","","","","","","1.028","","","","has coordinates","178657","2020-10-21","18:00:00",""
"4076951","17.236","0.006","11.625","0.004","18.245","0.006","90","","108.639","0.004","90","","3464","2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C34 H48 N4 P2 Ru S -","- C34 H44 N4 P2 Ru S -","- C136 H176 N16 P8 Ru4 S4 -","4","1","","Takemoto, Shin; Kawamura, Harumi; Yamada, Yoshiaki; Okada, Takayoshi; Ono, Atsushi; Yoshikawa, Eri; Mizobe, Yasushi; Hidai, Masanobu","Ruthenium Complexes Containing Bis(diarylamido)/Thioether Ligands: Synthesis and Their Catalysis for the Hydrogenation of Benzonitrile","Organometallics","2002","21","19","3897","","10.1021/om020340o","","","0.7107","MoKα","","0.0769","0.0502","","","0.1062","0.1152","","","","","","1.062","","","","has coordinates","178658","2020-10-21","18:00:00",""
"4077075","13.166","0.001","7.444","0.001","17.807","0.001","90","","92.573","0.002","90","","1743.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C19 H14 Fe N2 O3 -","- C19 H14 Fe N2 O3 -","- C76 H56 Fe4 N8 O12 -","4","1","","Son, Seung Uk; Park, Kang Hyun; Jung, Il Gu; Chung, Young Keun; Lah, Myoung Soo","Reactions of Fe2(CO)9with Azine Derivatives: Discovery of New Coordination Modes and Reactivity of New Bimetallic Compounds","Organometallics","2002","21","24","5366","","10.1021/om0205546","","","0.71069","MoKα","","0.0892","0.043","","","0.1021","0.1348","","","","","","1.031","","","","has coordinates","178659","2020-10-21","18:00:00",""
"4077076","10.821","0.001","12.681","0.001","12.716","0.001","90","","96.262","0.001","90","","1734.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H12 Fe2 N2 O6 -","- C14 H12 Fe2 N2 O6 -","- C56 H48 Fe8 N8 O24 -","4","1","","Son, Seung Uk; Park, Kang Hyun; Jung, Il Gu; Chung, Young Keun; Lah, Myoung Soo","Reactions of Fe2(CO)9with Azine Derivatives: Discovery of New Coordination Modes and Reactivity of New Bimetallic Compounds","Organometallics","2002","21","24","5366","","10.1021/om0205546","","","0.71073","MoKα","","0.0705","0.0452","","","0.1217","0.1472","","","","","","1.058","","","","has coordinates","178659","2020-10-21","18:00:00",""
"4077302","17.6495","0.0002","10.5692","0.0001","20.3919","0.0002","90","","99.0906","0.0005","90","","3756.15","0.07","200","","","","","","","","","","Local laboratory","6","P 1 21/a 1","-P 2yab","14","","","","- C43 H39 Br Ni O2 P2 -","- C43 H39 Br Ni O2 P2 -","- C172 H156 Br4 Ni4 O8 P8 -","4","1","","Edwards, Alison J.; Macgregor, Stuart A.; Rae, A. David; Wenger, Eric; Willis, Anthony C.","Regioselectivities of the Insertion Reactions of Unsymmetrical Alkynes with the Nickelacycles [NiBr(C6H4CH2PPh2-2)(L)] (L = Tertiary Phosphine)","Organometallics","2001","20","13","2864","","10.1021/om0101083","","","0.71073","MoKα","","","0.0433","","","","0.0371","","","","","","1.0357","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077366","16.545","0.007","10.21","0.003","8.428","0.003","90","","104.77","0.04","90","","1376.7","0.9","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H38 Br2 N4 Pd2 -","- C26 H38 Br2 N4 Pd2 -","- C52 H76 Br4 N8 Pd4 -","2","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","","","0.0439","","","","0.1027","","","","","","0.975","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077592","19.668","0.008","9.327","0.008","20.967","0.009","90","","106.42","0.03","90","","3689","4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C39 H25 N O10 Ru3 -","- C39 H25 N O10 Ru3 -","- C156 H100 N4 O40 Ru12 -","4","1","","Cabeza, Javier A.; Grepioni, Fabrizia; Moreno, Marta; Riera, Víctor","Reactivity of Diynes with a 1-Azavinylidene-Bridged Triruthenium Carbonyl Cluster. Insertion Reactions of Diynes into Ru−H, Ru−C, and Ru−N Bonds","Organometallics","2000","19","25","5424","","10.1021/om0005506","","","0.71069","MoKα","","0.0847","0.0657","","","0.172","0.1934","","","","","","0.955","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077790","16.6668","0.0015","8.8103","0.0007","12.9121","0.0012","90","","94.59","0.02","90","","1889.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C15 H27 Mo N O2 Si2 -","- C15 H27 Mo N O2 Si2 -","- C60 H108 Mo4 N4 O8 Si8 -","4","1","","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","","0.0725","0.0362","","0.0908","0.0786","","","","1.034","1.077","1.077","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4078197","13.2772","0.0009","13.791","0.0008","18.256","0.001","90","","102.145","0.001","90","","3268","0.3","150.1","","150","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H52 Si4 -","- C30 H52 Si4 -","- C120 H208 Si16 -","4","1","","Naka, Akinobu; Ohshita, Joji; Miyazaki, Eigo; Miura, Toshiko; Kobayashi, Hisayoshi; Ishikawa, Mitsuo","Stereochemistry of Disilanylene-Containing Cyclic Compounds. Palladium-Catalyzed Reactions ofcis- andtrans-3,4-Benzo-1,2-diisopropyl-1,2-dimethyl-1,2-disilacyclobut-3-ene with Ethylene","Organometallics","2012","31","9","3492","","10.1021/om201061x","","","0.7107","MoKα","","","0.102","","","","0.116","","","","","","3.165","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078387","16.569","0.0014","8.7952","0.0009","12.953","0.002","90","","94.43","0.012","90","","1882","0.4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C15 H27 N O2 Si2 W -","- C15 H27 N O2 Si2 W -","- C60 H108 N4 O8 Si8 W4 -","4","1","","Ueno, Keiji; Masuko, Akira; Ogino, Hiroshi","Synthesis, Structure, and Fluxional Behavior of Donor-Stabilized Bis(silylene)tungsten Complexes","Organometallics","1997","16","23","5023","","10.1021/om970609h","","","0.71073","MoKα","","0.0765","0.0526","","0.1246","0.1176","","","","0.998","1.082","1.082","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078799","8.5358","0.0004","18.1171","0.0007","15.3207","0.0006","90","","100.552","0.0014","90","","2329.19","0.17","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H36 Cl Si2 Ta -","- C18 H36 Cl Si2 Ta -","- C72 H144 Cl4 Si8 Ta4 -","4","1","","Oishi, Masataka; Kino, Masashi; Saso, Masayuki; Oshima, Masato; Suzuki, Hiroharu","Early‒Late Heterobimetallic Complexes with a Ta‒Ir Multiple Bond: Bimetallic Oxidative Additions of C‒H, N‒H, and O‒H Bonds","Organometallics","2012","31","13","4658","","10.1021/om300429u","","","0.71069","MoKα","","0.0289","0.0252","","","0.0561","0.0581","","","","","","1.035","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078922","18.0043","0.0004","17.8269","0.0005","18.876","0.0005","90","","94.7219","0.0017","90","","6037.9","0.3","200","","200","","","","","","","","from RMIT University","6","P 1 21/a 1","-P 2yab","14","","","","- C61 H44 F8 I P3 Pd2 -","- C61 H44 F8 I P3 Pd2 -","- C244 H176 F32 I4 P12 Pd8 -","4","1","","Bhargava, Suresh K.; Privér, Steven H.; Willis, Anthony C.; Bennett, Martin A.","Preparation, Structure, and Reactivity of Dipalladium(I) Complexes Containing the Carbanion 2-C6F4PPh2: Coexistence of Distinct, Noninterconverting Head-to-Head [Dipalladium(0/II)] and Head-to-Tail [Dipalladium(I)] Species","Organometallics","2012","31","15","5561","","10.1021/om300525p","","","0.71073","MoKα","","0.0976","0.0438","","0.1118","0.0971","0.1118","","","","","","0.8295","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078923","11.3738","0.0001","32.8254","0.0003","12.0304","0.0001","90","","98.3916","0.0005","90","","4443.46","0.07","200","","200","","","","","","","","from RMITU","5","P 1 21/a 1","-P 2yab","14","","","","- C54 H35 F8 P3 Pd -","- C54 H35 F8 P3 Pd -","- C216 H140 F32 P12 Pd4 -","4","1","","Bhargava, Suresh K.; Privér, Steven H.; Willis, Anthony C.; Bennett, Martin A.","Preparation, Structure, and Reactivity of Dipalladium(I) Complexes Containing the Carbanion 2-C6F4PPh2: Coexistence of Distinct, Noninterconverting Head-to-Head [Dipalladium(0/II)] and Head-to-Tail [Dipalladium(I)] Species","Organometallics","2012","31","15","5561","","10.1021/om300525p","","","0.71073","MoKα","","0.0469","0.0314","","0.0685","0.0641","0.0685","","","","","","0.9697","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078978","12.43","0.004","14.089","0.004","13.738","0.004","90","","110.342","0.006","90","","2255.8","1.2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C44 H58 N10 Ti2 -","- C44 H58 N10 Ti2 -","- C88 H116 N20 Ti4 -","2","0.5","","Chen, Zhou; Wu, Jian; Chen, Yanmei; Li, Lei; Xia, Yuanzhi; Li, Yahong; Liu, Wei; Lei, Tao; Yang, Lijuan; Gao, Dandan; Li, Wu","Rapid Access to Substituted Piperazines via Ti(NMe2)4-Mediated C‒C Bond-Making Reactions","Organometallics","2012","31","17","6005","","10.1021/om300022u","","","0.7107","MoKα","","0.118","0.0998","","","0.2485","0.259","","","","","","1.207","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4079079","17.2728","0.0007","15.6204","0.0006","18.6939","0.0006","90","","106.659","0.0012","90","","4832.1","0.3","193","2","193","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C21 H39 N3 O4 Ru2 -","- C21 H27 N3 O4 Ru2 -","- C168 H216 N24 O32 Ru16 -","8","2","","Namura, Kyo; Ohashi, Masato; Suzuki, Hiroharu","Synthesis and Structure of a Mixed-Ligand Dinuclear Ruthenium Trihydrido Complex Supported by Cn* and Cp* Ligands (Cn* = 1,4,7-Trimethyl-1,4,7-triazacyclononane, Cp* = η5-C5Me5): Enhancement of Reactivity toward CO2by Introduction of the Cn* Ligand","Organometallics","2012","31","17","5979","","10.1021/om3004674","","","0.71069","MoKα","","0.0867","0.0534","","","0.1324","0.1608","","","","","","1.073","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079298","19.462","0.0004","18.6629","0.0003","30.1543","0.0005","90","","96.664","0.001","90","","10878.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C45 H40 D2 P2 Ru -","- C45 H40 D2 P2 Ru -","- C540 H480 D24 P24 Ru12 -","12","3","","Reyna-Madrigal, Amira; Moreno-Gurrola, Anabel; Perez-Camacho, Odilia; Navarro-Clemente, M. Elena; Juárez-Saavedra, Patricia; Leyva-Ramirez, Marco A.; Arif, Atta M.; Ernst, Richard D.; Paz-Sandoval, M. Angeles","Half-Sandwich Ruthenium-Phosphine Complexes with Pentadienyl and Oxo- and Azapentadienyl Ligands","Organometallics","2012","31","20","7125","","10.1021/om300657z","","","0.71073","MoKα","","0.248","0.0825","","","0.0899","0.1196","","","","","","0.975","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079630","16.8797","0.0007","11.895","0.0007","18.4555","0.0008","90","","115.196","0.002","90","","3353","0.3","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C37 H56 N2 P2 -","- C37 H56 N2 P2 -","- C148 H224 N8 P8 -","4","1","","Hill, Anthony F.; McQueen, Caitlin M. A.","Dihydroperimidine-Derived N-Heterocyclic Pincer Carbene Complexes via Double C‒H Activation","Organometallics","2012","31","23","8051","","10.1021/om300897w","","","0.71073","MoKα","","0.1169","0.0928","","0.2283","0.2147","0.2283","","","","","","1.0155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080383","9.3187","0.0013","27.975","0.004","11.3288","0.0018","90","","100.289","0.005","90","","2905.8","0.7","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C36 H34 N2 O2 Si -","- C36 H34 N2 O2 Si -","- C144 H136 N8 O8 Si4 -","4","1","","Normand, Mickael; Dorcet, Vincent; Kirillov, Evgeny; Carpentier, Jean-François","{Phenoxy-imine}aluminum versus -indium Complexes for the Immortal ROP of Lactide: Different Stereocontrol, Different Mechanisms","Organometallics","2013","32","6","1694","","10.1021/om301155m","","x-ray","0.71073","MoKα","","0.1557","0.0578","","","0.1071","0.1375","","","","","","0.977","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080485","14.061","0.003","18.161","0.003","31.122","0.006","90","","101.108","0.005","90","","7798","3","250","2","250","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C78 H102 N8 O2 Si2 Y2 -","- C78 H102 N8 O2 Si2 Y2 -","- C312 H408 N32 O8 Si8 Y8 -","4","1","","Rad’kov, Vasily; Dorcet, Vincent; Carpentier, Jean-François; Trifonov, Alexander; Kirillov, Evgeny","Alkylyttrium Complexes of Amidine‒Amidopyridinate Ligands. Intramolecular C(sp3)‒H Activation and Reactivity Studies","Organometallics","2013","32","5","1517","","10.1021/om400027d","","x-ray","0.71073","MoKα","","0.1964","0.0622","","","0.1137","0.149","","","","","","0.98","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080881","12.5602","0.0002","28.568","0.0005","13.1348","0.0002","90","","104.057","0.0006","90","","4571.9","0.13","150","","150","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Ti(N2ArO)(NNPh2)(py)2","","- C40 H46 N6 O Si2 Ti -","- C40 H46 N6 O Si2 Ti -","- C160 H184 N24 O4 Si8 Ti4 -","4","1","","Unruangsri, Junjuda; Morgan, Hannah; Schwarz, Andrew D.; Schofield, A. Daniel; Mountford, Philip","Synthesis and Reactivity of Titanium Hydrazido Complexes Supported by Diamido-Ether Ligands","Organometallics","2013","32","10","3091","","10.1021/om400311w","","","0.71073","MoKα","","0.1407","0.0853","","0.1055","0.0777","0.0713","","","","","","1.0878","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080913","16.569","0.006","31.944","0.005","15.811","0.002","90","","90.34","0.02","90","","8368","3","203.2","","203.2","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C38 H26 B F24 N O Si -","- C38 H26 B F24 N O Si -","- C304 H208 B8 F192 N8 O8 Si8 -","8","2","","Chandra Sheker Reddy, Anugu; Chen, Zhang; Hatanaka, Tohru; Minami, Tatsuya; Hatanaka, Yasuo","Synthesis of Silaoxazolinium Salts Bearing Weakly Coordinating Anions: Structures and Catalytic Activities in the Aldol Reaction","Organometallics","2013","32","13","3575","","10.1021/om400017f","","","0.7107","MoKα","","","0.0768","","","","0.249","","","","","","1.631","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080914","13.841","0.004","15.636","0.005","8.021","0.006","90","","90.04","0.04","90","","1735.9","1.5","203.2","","203.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C7 H26 B11 N O Si -","- C7 H26 B11 N O Si -","- C28 H104 B44 N4 O4 Si4 -","4","1","","Chandra Sheker Reddy, Anugu; Chen, Zhang; Hatanaka, Tohru; Minami, Tatsuya; Hatanaka, Yasuo","Synthesis of Silaoxazolinium Salts Bearing Weakly Coordinating Anions: Structures and Catalytic Activities in the Aldol Reaction","Organometallics","2013","32","13","3575","","10.1021/om400017f","","","0.7107","MoKα","","0.0629","0.0609","","","0.17","0.1722","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081096","13.5378","0.0002","31.6724","0.0006","14.2095","0.0003","90","","95.402","0.001","90","","6065.61","0.19","173","1","173","1","","","","","","","","7","P 1 21/a 1","-P 2yab","14","Compound X","","","- C34 H25 Cl2 F5 Fe N Pt -","- C34 H25 Cl2 F5 Fe N Pt -","- C272 H200 Cl16 F40 Fe8 N8 Pt8 -","8","2","","Berenguer, Jesús R.; Fernández, Julio; Giménez, Nora; Lalinde, Elena; Moreno, M. Teresa; Sánchez, Sergio","Unexpected Formation of Ferrocenyl(vinyl)benzoquinoline Ligands by Oxidation of an Alkyne Benzoquinolate Platinum(II) Complex","Organometallics","2013","32","14","3943","","10.1021/om4004384","","","0.71073","MoKα","","0.0643","0.0409","","","0.0805","0.0887","","","","","","1.049","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081255","15.5539","0.0003","12.5279","0.0003","22.6531","0.0005","90","","109.552","0.0011","90","","4159.6","0.16","200","","200","","","","","","","","Research School of Chemistry","4","P 1 21/a 1","-P 2yab","14","","","","- C21 H18 F6 P2 -","- C21 H18 F6 P2 -","- C168 H144 F48 P16 -","8","2","","Colebatch, Annie L.; Cade, Ian A.; Hill, Anthony F.; Bhadbhade, Mohan M.","η2-Allenyl- and η2-Alkynylphosphonium Complexes of Platinum","Organometallics","2013","32","17","4766","","10.1021/om400406s","","","0.71073","MoKα","","0.153","0.1331","","0.2538","0.2495","0.2538","","","","","","0.7915","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081629","11.6959","0.0001","27.3298","0.0003","13.4179","0.0002","90","","115.566","0.001","90","","3869.05","0.09","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","complex_10_tuckin_CO2","","","- C80 H130 O4 Si4 U2 -","- C80 H130 O4 Si4 U2 -","- C160 H260 O8 Si8 U4 -","2","0.5","","Higgins, Jessica A.; Cloke, F. Geoffrey N.; Roe, S. Mark","Synthesis and CO2Insertion Chemistry of Uranium(IV) Mixed-Sandwich Alkyl and Hydride Complexes","Organometallics","2013","32","19","5244","","10.1021/om400720m","","x-ray","0.71073","MoKα","","0.0619","0.0407","","","0.0792","0.085","","","","","","1.03","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4082011","17.7678","0.0002","15.11045","0.00015","18.425","0.0002","90","","104.971","0.0012","90","","4778.83","0.09","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C37 H90 B10 N6 -","- C37 H90 B10 N6 -","- C148 H360 B40 N24 -","4","1","","Mindich, Aleksey L.; Bokach, Nadezhda A.; Kuznetsov, Maxim L.; Starova, Galina L.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Miltsov, Serguei A.; Kuznetsov, Nikolay T.; Kukushkin, Vadim Yu.","Borylated Tetrazoles from Cycloaddition of Azide Anions to Nitrilium Derivatives ofcloso-Decaborate Clusters","Organometallics","2013","32","21","6576","","10.1021/om400892x","","","1.54184","CuKα","","0.0456","0.0403","","","0.1053","0.1113","","","","","","1.038","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082340","12.6721","0.0008","7.9582","0.0005","13.3139","0.0008","90","","112.072","0.003","90","","1244.27","0.14","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H13 Cr N O2 -","- C15 H13 Cr N O2 -","- C60 H52 Cr4 N4 O8 -","4","1","","Duke, Charles B.; Letterman, Roger G.; Johnson, Jermaine O.; Barr, James W.; Hu, Songnan; Ross, Charles R.; Webster, Charles Edwin; Burkey, Theodore J.","Photochemistry of Chromium Arene Tricarbonyl Complexes with Tethered Pyridinyl and Propenyl Groups: Investigations of the Effect of Ring Size on Chelate Formation, Structure, and Linkage Isomerization","Organometallics","2014","33","2","485","","10.1021/om400928k","","","1.54178","CuKα","","0.055","0.0442","","","0.1315","0.1374","","","","","","1.238","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082863","16.017","0.0007","9.5265","0.0004","18.5407","0.0008","90","","106.484","0.001","90","","2712.8","0.2","298","","298","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C24 H38 N P Pt S Si -","- C24 H35 N P Pt S Si -","- C96 H140 N4 P4 Pt4 S4 Si4 -","4","1","","Okuda, Yasuhiro; Ishiguro, Yuya; Mori, Seiji; Nakajima, Kiyohiko; Nishihara, Yasushi","Experimental and Theoretical Studies on the Platinum-Mediated Selective C(sp)‒Si Bond Cleavage of Alkynylsilanes","Organometallics","2014","33","7","1878","","10.1021/om5002588","","","0.71075","MoKα","","0.0702","0.0566","","","0.1435","0.1544","","","","","","1.007","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4083052","15.0631","0.0008","7.8858","0.0002","16.5738","0.0011","90","","110.939","0.008","90","","1838.7","0.19","293.12","0.16","293.12","0.16","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C21 H22 Cl N Ru -","- C21 H22 Cl N Ru -","- C84 H88 Cl4 N4 Ru4 -","4","1","","Zhang, Lu−Lu; Li, Lian-Hua; Wang, Yu-Qi; Yang, Yan-Fang; Liu, Xue-Yuan; Liang, Yong-Min","Ruthenium-Catalyzed Direct C‒H Amidation of Arenes: A Mechanistic Study","Organometallics","2014","33","8","1905","","10.1021/om500080z","","","0.71073","MoKα","","0.0399","0.0303","","","0.0619","0.068","","","","","","1.046","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083310","12.8524","0.0003","11.9482","0.0002","16.5506","0.0003","90","","94.615","0.001","90","","2533.32","0.09","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C21 H25 Cl3 N2 O2 Pt S2 -","- C21 H25 Cl3 N2 O2 Pt S2 -","- C84 H100 Cl12 N8 O8 Pt4 S8 -","4","1","","Yzambart, Gilles; Fabre, Bruno; Roisnel, Thierry; Dorcet, Vincent; Ababou-Girard, Soraya; Meriadec, Cristelle; Lorcy, Dominique","Assembly of Platinum Diimine Dithiolate Complexes onto Hydrogen-Terminated Silicon Surfaces","Organometallics","2014","33","18","4766","","10.1021/om5000369","","x-ray","0.71073","MoKα","","0.0259","0.0212","","","0.0467","0.0487","","","","","","1.043","","","","has coordinates,has disorder","178722","2020-10-21","18:00:00",""
"4083444","19.91","0.004","16.379","0.004","20.634","0.004","90","","95.938","0.01","90","","6693","2","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H34 F12 N2 O4 Ti -","- C30 H34 F12 N2 O4 Ti -","- C240 H272 F96 N16 O32 Ti8 -","8","2","","Marquet, Nicolas; Kirillov, Evgueni; Roisnel, Thierry; Razavi, Abbas; Carpentier, Jean-François","Group 4 Metal Complexes of Fluorous (Di)Alkoxide-(Di)Imino Ligands: Synthesis, Structure, Olefin Polymerization Catalysis, and Decomposition Pathways","Organometallics","2009","28","2","606","","10.1021/om8009409","","x-ray","0.71073","MoKα","","0.0641","0.0429","","","0.0974","0.1074","","","","","","1.039","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083593","10.1941","0.0003","17.6476","0.0004","10.3104","0.0003","90","","101.886","0.003","90","","1815.09","0.09","200","0.1","200","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C76 H96 Cl4 N8 Rh4 -","- C76 H96 Cl4 N8 Rh4 -","- C76 H96 Cl4 N8 Rh4 -","1","0.25","","Mejuto, Carmen; Guisado-Barrios, Gregorio; Peris, Eduardo","Novel Rhodium and Iridium Complexes Coordinated toC3-Symmetric Tris-NHC Ligands Based on a 1,3,5-Triphenylbenzene Core. Electronic and Catalytic Properties","Organometallics","2014","33","12","3205","","10.1021/om500547g","","","0.71073","MoKα","","0.038","0.027","","","0.0557","0.0648","","","","","","1.0798","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083689","16.576","0.003","11.509","0.004","17.059","0.002","90","","115.36","0.02","90","","2940.8","1.3","293","2","250","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H37 Li N4 O -","- C33 H37 Li N4 O -","- C132 H148 Li4 N16 O4 -","4","1","","Otero, Antonio; Fernández-Baeza, Juan; Antiñolo, Antonio; Tejeda, Juan; Lara-Sánchez, Agustín; Sánchez-Barba, Luis F.; Sánchez-Molina, Margarita; Rodríguez, Ana M.; Bo, Carles; Urbano-Cuadrado, Manuel","Expanding Heteroscorpionates. Facile Synthesis of New Hybrid Scorpionate/Cyclopentadienyl Ligands and Their Lithium and Group 4 Metal Compounds: A Combined Experimental and Density Functional Theory Study","Organometallics","2007","26","17","4310","","10.1021/om7003942","","","0.71073","MoKα","","0.3313","0.0745","","","0.1333","0.1996","","","","","","0.902","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083797","16.9585","0.0011","16.6614","0.001","20.4281","0.0015","90","","112.585","0.002","90","","5329.4","0.6","103","2","103","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","9-germaanthracene_dimer","","","- C100 H168 Ge2 Si14 -","- C100 H168 Ge2 Si14 -","- C200 H336 Ge4 Si28 -","2","0.5","","Sasamori, Takahiro; Inamura, Koji; Hoshino, Wataru; Nakata, Norio; Mizuhata, Yoshiyuki; Watanabe, Yasuaki; Furukawa, Yukio; Tokitoh, Norihiro","Synthesis and Characterization of Two Isomers of 14π-Electron Germaaromatics: Kinetically Stabilized 9-Germaanthracene and 9-Germaphenanthrene","Organometallics","2006","25","15","3533","","10.1021/om060371+","","","0.7107","MoKα","","0.0446","0.0401","","","0.0869","0.0891","","","","","","1.136","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4084055","7.737","0.004","17.122","0.01","12.854","0.007","90","","92.84","0.04","90","","1700.7","1.6","203","2","203","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H18 B Cl2 N -","- C18 H18 B Cl2 N -","- C72 H72 B4 Cl8 N4 -","4","1","","Enders, Markus; Ludwig, Gunter; Pritzkow, Hans","Novel Reactivity of Ferrocene Derivatives toward Lewis Acids: Decomplexation with Boron Trichloride and Synthesis of a Triple-Decker-like Iron−Zinc Complex†","Organometallics","2002","21","19","3856","","10.1021/om020306+","","","0.71073","MoKα","","0.207","0.0714","","","0.1402","0.1802","","","","","","0.971","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084089","7.974","0.005","25.353","0.014","8.563","0.004","90","","98.43","0.04","90","","1712.4","1.6","203","2","203","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H22 Cl2 Cr N -","- C17 H22 Cl2 Cr N -","- C68 H88 Cl8 Cr4 N4 -","4","1","","Enders, Markus; Fernández, Pablo; Ludwig, Gunter; Pritzkow, Hans","New Chromium(III) Complexes as Highly Active Catalysts for Olefin Polymerization","Organometallics","2001","20","24","5005","","10.1021/om010753+","","","0.7107","MoKα","","0.0848","0.0441","","","0.08","0.0908","","","","","","1.012","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084117","18.1927","0.0005","11.5425","0.0003","20.4504","0.0006","90","","108.009","0.002","90","","4084","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C42 H64 P4 Tm -","- C42 H64 P4 Tm -","- C168 H256 P16 Tm4 -","4","1","","Jacquot, Léa; Xémard, Mathieu; Clavaguéra, Carine; Nocton, Grégory","Multiple One-Electron Transfers in Bipyridine Complexes of Bis(phospholyl) Thulium","Organometallics","2014","33","15","4100","","10.1021/om500607r","","x-ray","0.71073","MoKα","","0.0875","0.0615","","","0.1405","0.1569","","","","","","1.124","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084119","10.7289","0.0003","19.5591","0.0004","17.042","0.0005","90","","92.742","0.001","90","","3572.13","0.16","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C41 H48 N4 P Tm -","- C41 H48 N4 P Tm -","- C164 H192 N16 P4 Tm4 -","4","1","","Jacquot, Léa; Xémard, Mathieu; Clavaguéra, Carine; Nocton, Grégory","Multiple One-Electron Transfers in Bipyridine Complexes of Bis(phospholyl) Thulium","Organometallics","2014","33","15","4100","","10.1021/om500607r","","x-ray","0.71073","MoKα","","0.0758","0.0471","","","0.0876","0.1027","","","","","","1.075","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084243","16.1004","0.0012","13.1729","0.0009","18.3841","0.0014","90","","106.263","0.002","90","","3743","0.5","193","","193","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C40 H26 Cl4 Fe2 N2 O4 S2 -","- C40 H26 Cl4 Fe2 N2 O4 S2 -","- C160 H104 Cl16 Fe8 N8 O16 S8 -","4","1","","Hirotsu, Masakazu; Santo, Kiyokazu; Tsuboi, Chiaki; Kinoshita, Isamu","Diiron Carbonyl Complexes Bearing an N,C,S-Pincer Ligand: Reactivity toward Phosphines, Heterolytic Fe‒Fe Cleavage, and Electrocatalytic Proton Reduction","Organometallics","2014","33","16","4260","","10.1021/om500558h","","","0.710747","MoKα","","0.0675","0.0487","","","0.1206","0.1322","","","","","","1.065","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084299","16.8265","0.0002","9.4487","0.0004","17.6118","0.0005","90","0.001","90.567","0.001","90","0.001","2799.94","0.15","200","2","200","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C29 H41 N Ni P2 -","- C29 H41 N Ni P2 -","- C116 H164 N4 Ni4 P8 -","4","1","","Chen, Ming-Tsz; Lee, Wei-Ying; Tsai, Tzung-Ling; Liang, Lan-Chang","Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Chelates: Kumada Couplings Kinetically Preferred to β-Hydrogen Elimination","Organometallics","2014","33","20","5852","","10.1021/om5006353","","","0.71073","MoKα","","0.1157","0.0861","","","0.2265","0.2531","","","","","","1.209","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084353","16.421","0.004","11.638","0.003","18.611","0.005","90","","95.6527","0.0009","90","","3539.4","1.6","193","","193","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C39 H59 P Zr -","- C39 H59 P Zr -","- C156 H236 P4 Zr4 -","4","1","","Suzuki, Noriyuki; Yoshitani, Takao; Inoue, Shota; Hashizume, Daisuke; Yoshida, Hajime; Tezuka, Meguru; Ida, Keisuke; Nagashima, Sayoko; Chihara, Teiji; Kobayashi, Osamu; Nanbu, Shinkoh; Masuyama, Yoshiro","Haptotropic Shift of [5]Cumulenes in Zirconocene Complexes and Effects of Steric Factors","Organometallics","2014","33","19","5220","","10.1021/om500536c","","","0.7107","MoKα","","","0.0624","","","","0.0987","","","","","","1.229","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084399","13.4181","0.0004","9.1637","0.0007","15.0653","0.0003","90","","99.927","0.002","90","","1824.69","0.15","291","2","291","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C19 H18 Br N2 Ni P -","- C19 H18 Br N2 Ni P -","- C76 H72 Br4 N8 Ni4 P4 -","4","1","","Yang, Xia; Wang, Zhong-Xia","Mono- and Dinuclear Pincer Nickel Catalyzed Activation and Transformation of C‒Cl, C‒N, and C‒O Bonds","Organometallics","2014","33","20","5863","","10.1021/om500452c","","","1.54184","CuKα","","0.0562","0.0515","","","0.1465","0.1539","","","","","","1.052","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084404","20.116","0.004","9.537","0.0014","21.627","0.004","90","","110.914","0.002","90","","3875.7","1.2","93","2","93","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H60 N Ni P Si2 -","- C38 H60 N Ni P Si2 -","- C152 H240 N4 Ni4 P4 Si8 -","4","1","","Takeuchi, Katsuhiko; Minami, Ataru; Nakajima, Yumiko; Ozawa, Fumiyuki","Synthesis and Structures of Nickel Complexes with a PN-Chelate Phosphaalkene Ligand","Organometallics","2014","33","19","5365","","10.1021/om500685x","","","0.71075","MoKα","","0.0575","0.0489","","","0.1459","0.1569","","","","","","1.128","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084638","6.6503","0.0003","10.265","0.0004","9.0775","0.0003","90","","104.833","0.001","90","","599.03","0.04","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H14 Cl2 O2 Sn2 -","- C6 H14 Cl2 O2 Sn2 -","- C12 H28 Cl4 O4 Sn4 -","2","0.5","","Wang, Lingfang; Kefalidis, Christos E.; Roisnel, Thierry; Sinbandhit, Sourisak; Maron, Laurent; Carpentier, Jean-François; Sarazin, Yann","Structure vs119Sn NMR Chemical Shift in Three-Coordinated Tin(II) Complexes: Experimental Data and Predictive DFT Computations","Organometallics","2015","34","11","2139","","10.1021/om5007566","","x-ray","0.71073","MoKα","","0.0295","0.0282","","","0.0742","0.0751","","","","","","1.088","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4085270","8.0093","0.0002","44.3383","0.0013","9.9524","0.0003","90","","103.757","0.001","90","","3432.9","0.17","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C34 H38 Cl2 F6 N2 O2 Ru -","- C34 H38 Cl2 F6 N2 O2 Ru -","- C136 H152 Cl8 F24 N8 O8 Ru4 -","4","1","","Masoud, Salekh M.; Mailyan, Artur K.; Dorcet, Vincent; Roisnel, Thierry; Dixneuf, Pierre H.; Bruneau, Christian; Osipov, Sergey N.","Metathesis Catalysts with Fluorinated Unsymmetrical NHC Ligands","Organometallics","2015","34","11","2305","","10.1021/om501077w","","x-ray","0.71073","MoKα","","0.0721","0.0574","","","0.1423","0.1518","","","","","","1.028","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085271","9.1887","0.0006","42.551","0.003","17.8992","0.0011","90","","89.959","0.003","90","","6998.4","0.8","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C68 H76 Cl4 F12 N4 O4 Ru2 -","- C68 H76 Cl4 F12 N4 O4 Ru2 -","- C272 H304 Cl16 F48 N16 O16 Ru8 -","4","1","","Masoud, Salekh M.; Mailyan, Artur K.; Dorcet, Vincent; Roisnel, Thierry; Dixneuf, Pierre H.; Bruneau, Christian; Osipov, Sergey N.","Metathesis Catalysts with Fluorinated Unsymmetrical NHC Ligands","Organometallics","2015","34","11","2305","","10.1021/om501077w","","x-ray","0.71073","MoKα","","0.0667","0.052","","","0.1022","0.1086","","","","","","1.017","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085312","13.4782","0.0006","11.3904","0.0005","16.0075","0.0007","90","","90.924","0.002","90","","2457.19","0.19","99","2","99","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C26 H26 N4 O3 Pd S -","- C26 H26 N4 O3 Pd S -","- C104 H104 N16 O12 Pd4 S4 -","4","1","","Serrano, J. Luis; Pérez, José; García, Luis; Sánchez, Gregorio; García, Joaquín; Lozano, Pedro; Zende, Vidya; Kapdi, Anant","N-Heterocyclic-Carbene Complexes Readily Prepared from Di-μ-hydroxopalladacycles Catalyze the Suzuki Arylation of 9-Bromophenanthrene","Organometallics","2015","34","2","522","","10.1021/om501160n","","","0.71073","MoKα","","0.0453","0.0317","","","0.0736","0.0787","","","","","","1.025","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085313","13.6655","0.0006","11.2625","0.0005","15.8256","0.0007","90","","96.263","0.001","90","","2421.14","0.19","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C27 H26 N4 O2 Pd -","- C27 H26 N4 O2 Pd -","- C108 H104 N16 O8 Pd4 -","4","1","","Serrano, J. Luis; Pérez, José; García, Luis; Sánchez, Gregorio; García, Joaquín; Lozano, Pedro; Zende, Vidya; Kapdi, Anant","N-Heterocyclic-Carbene Complexes Readily Prepared from Di-μ-hydroxopalladacycles Catalyze the Suzuki Arylation of 9-Bromophenanthrene","Organometallics","2015","34","2","522","","10.1021/om501160n","","","0.71073","MoKα","","0.0379","0.0297","","","0.0716","0.0756","","","","","","0.988","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085578","14.8898","0.0017","9.8923","0.001","15.145","0.0017","90","","103.513","0.0017","90","","2169","0.4","93","","93","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H21 B Cl2 N8 Ru -","- C18 H21 B Cl2 N8 Ru -","- C72 H84 B4 Cl8 N32 Ru4 -","4","1","","Arikawa, Yasuhiro; Yamaguchi, Soseki; Otsubo, Yuji; Onishi, Masayoshi; Umakoshi, Keisuke","Ortho−Nitrosation of Anilines on a Ruthenium Hydridotris(pyrazolyl)borato Complex and Oxidation of the Resulting Coordinated Amine Groups","Organometallics","2015","34","6","1056","","10.1021/om5012769","","","0.71075","MoKα","","","0.0208","","","","0.0511","","","","","","1.046","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4086064","16.0153","","9.2434","","26.9274","","90","","96.9","","90","","3957.35","","","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","(W (C O) (H B H3) (N O) (P (C H3)3)3)","","- C10 H31 B N O2 P3 W -","- C10 H31 B N O2 P3 W -","- C80 H248 B8 N8 O16 P24 W8 -","8","2","","Hoeck, J.; Artus, G.R.J.; Jacobsen, H.; Schmalle, H.W.; Baeth, F.; Fox, T.; Amor, J.I.; Berke, H.","Synthesis and insertion behaviour of carbonylhydridonitrosyltris(trimethylphosphine)tungsten(0)","Organometallics","2001","20","","1533","1544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086093","16.1899","0.0006","9.3453","0.0004","19.8995","0.0009","90","","108.017","0.0009","90","","2863.1","0.2","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C31 H33 N O2 S Si W -","- C31 H33 N O2 S Si W -","- C124 H132 N4 O8 S4 Si4 W4 -","4","1","","Kanno, Yuto; Komuro, Takashi; Tobita, Hiromi","Direct Conversion of a Si‒C(aryl) Bond to Si‒Heteroatom Bonds in the Reactions of η3-α-Silabenzyl Molybdenum and Tungsten Complexes with 2-Substituted Pyridines","Organometallics","2015","34","15","3699","","10.1021/acs.organomet.5b00335","","","0.71069","MoKα","","0.0444","0.039","","","0.1045","0.1116","","","","","","1.198","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086610","11.9109","0.0003","22.567","0.0006","18.4174","0.0005","90","","101.286","0.0009","90","","4854.7","0.2","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C48 H80 P2 Pt Ru2 Si -","- C48 H80 P2 Pt Ru2 Si -","- C192 H320 P8 Pt4 Ru8 Si4 -","4","1","","Kuzutani, Takuya; Torihata, Yushi; Suzuki, Hiroharu; Takao, Toshiro","Synthesis of a Heterometallic Trinuclear Cluster of Ruthenium and Platinum with a Linear Alignment","Organometallics","2016","35","15","2543","","10.1021/acs.organomet.6b00449","","","0.71069","MoKα","","0.025","0.0212","","","0.0435","0.0446","","","","","","1.025","","","","has coordinates","186256","2020-10-21","18:00:00",""
"4087391","6.5242","0.0002","7.6555","0.0003","17.7464","0.0007","90","","99.534","0.002","90","","874.12","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C6 H14 O2 Pb -","- C6 H14 O2 Pb -","- C24 H56 O8 Pb4 -","4","1","","Wang, Lingfang; Fadlallah, Sami; Bellini, Clément; Orione, Clément; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Structurally Characterized Lead(II) Alkoxides as Potent Ring-Opening Polymerization Catalysts","Organometallics","2015","34","7","1321","","10.1021/acs.organomet.5b00052","","x-ray","0.71073","MoKα","","0.0251","0.0172","","","0.0319","0.0338","","","","","","1.06","","","","has coordinates","236768","2020-10-21","18:00:00",""
"4088417","13.3664","0.0005","12.7847","0.0005","14.7048","0.0006","90","","102.97","0.0019","90","","2448.73","0.17","103","2","103.51","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C17 H24 B Cl2 F4 Ni3 S4 -","- C17 H24 B Cl2 F4 Ni3 S4 -","- C68 H96 B4 Cl8 F16 Ni12 S16 -","4","1","","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","","0.0401","0.0305","","","0.0728","0.0763","","","","","","1.114","","","","has coordinates,has disorder","237551","2020-10-21","18:00:00",""
"4088465","15.5387","0.0011","10.1599","0.0007","31.327","0.002","90","","98.745","0.004","90","","4888.2","0.6","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C53 H81 N2 P2 Rh -","- C53 H81 N2 P2 Rh -","- C212 H324 N8 P8 Rh4 -","4","1","","Taguchi, Hiro-omi; Sasaki, Daichi; Takeuchi, Katsuhiko; Tsujimoto, Shota; Matsuo, Tsukasa; Tanaka, Hiromasa; Yoshizawa, Kazunari; Ozawa, Fumiyuki","Unsymmetrical PNP-Pincer Type Phosphaalkene Ligands Protected by a Fused-Ring Bulky Eind Group: Synthesis and Applications to Rh(I) and Ir(I) Complexes","Organometallics","2016","35","10","1526","","10.1021/acs.organomet.6b00113","","","0.71069","MoKα","","0.1601","0.1458","","","0.3088","0.3172","","","","","","1.384","","","","has coordinates","237594","2020-10-21","18:00:00",""
"4089316","21.8178","0.0014","13.9755","0.001","11.3967","0.0008","90","","104.545","0.003","90","","3363.6","0.4","213","2","213","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","compound 1'Ni_hexane","","","- C25 H33 B Br3 Co N6 Ni O4 -","- C25 H33 B Br3 Co N6 Ni O4 -","- C100 H132 B4 Br12 Co4 N24 Ni4 O16 -","4","1","","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","","0.0859","0.0507","","","0.1292","0.1436","","","","","","0.781","","","","has coordinates","244974","2020-10-21","18:00:00",""
"4089579","13.4331","0.0004","15.1972","0.0003","13.9683","0.0004","90","","92.553","0.002","90","","2848.74","0.13","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","compound 5a","","","- C22 H47 N2 P Si2 Zr -","- C22 H47 N2 P Si2 Zr -","- C88 H188 N8 P4 Si8 Zr4 -","4","1","","Schröder, Fabian G.; Lichtenberg, Crispin; Elfferding, Michael; Sundermeyer, Jörg","Deprotonated P-ylides As Templates for Novel Cyclopentadienyl Phosphonioalkyl, -alkylidene, and -alkylidyne (CpPC) Constrained-Geometry Complexes","Organometallics","2013","32","18","5082","","10.1021/om4005548","","","0.71073","MoKα","","0.0387","0.0293","","","0.0741","0.0761","","","","","","0.931","","","","has coordinates","243690","2020-10-21","18:00:00",""
"4100044","11.962","0.0004","7.228","0.0001","20.281","0.0007","90","","100.49","0.001","90","","1724.21","0.07","273.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H17 B O4 -","- C22 H17 B O4 -","- C88 H68 B4 O16 -","4","1","","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",""
"4100164","15.31","0.005","19.927","0.006","28.867","0.009","90","0.0017","94.6626","0.0018","90","0.0017","8778","5","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C107 H110 N4 Pd -","- C107.02 H110 N4 Pd -","- C428.08 H440 N16 Pd4 -","4","1","","Yamashita, Makoto; Goto, Kei; Kawashima, Takayuki","Fixation of Both O2 and CO2 from Air by a Crystalline Palladium Complex Bearing N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2005","127","20","7294","7295","10.1021/ja051054h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219002","2020-10-21","18:00:00",""
"4100389","8.0578","0.0001","14.7735","0.0002","24.2902","0.0003","90","","95.4998","0.0009","90","","2878.24","0.06","200","","200","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H24 Cl6 N2 O4 -","- C25 H24 Cl6 N2 O4 -","- C100 H96 Cl24 N8 O16 -","4","1","","Michael S. Sherburn; Alan Payne; Anthony C. Willis","Practical Synthesis and Diels-Alder Chemistry of [4]Dendralene","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100588","8.952","0.0004","10.9237","0.0005","13.4982","0.0005","90","","107.191","0.002","90","","1261.01","0.09","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H14 O Se -","- C13 H14 O Se -","- C52 H56 O4 Se4 -","4","1","","Fujiwara, Shin-ichi","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052175k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100660","14.971","0.005","8.349","0.003","21.008","0.007","90","","98.835","0.007","90","","2594.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C27 H32 N2 O3 S -","- C27 H32 N2 O3 S -","- C108 H128 N8 O12 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0432968","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101111","21.0805","0.0008","24.3424","0.001","28.0284","0.0012","90","","106.742","0.0023","90","","13773.1","1","120","2","120","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C135 H112 Cl10 Cu4 F24 N8 P10 -","- C135 H112 Cl10 Cu4 F24 N8 P10 -","- C540 H448 Cl40 Cu16 F96 N32 P40 -","4","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","287954","2023-12-03","21:24:06",""
"4101153","7.5561","0.0008","17.312","0.002","8.2565","0.0009","90","","96.014","0.009","90","","1074.1","0.2","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H16 S2.75 -","- C28 H16 S2.752 -","- C56 H32 S5.504 -","2","0.5","","Miao, Qian; Chi, Xiaoliu; Zeis, Roswitha; Lefenfeld, Michael; Kloc, Christian; Siegrist, Theo; Steigerwald, Michael; Nuckolls, Colin","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0570786","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101352","12.9214","0.0019","17.031","0.002","13.687","0.002","90","","104.194","0.003","90","","2920","0.7","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C27 H35 I2 N3 Ni -","- C27 H35 I2 N3 Ni -","- C108 H140 I8 N12 Ni4 -","4","1","","Jones, Gavin D; Martin, Jason L; McFarland, Chris; Allen, Olivia R; Hall, Ryan E; Haley, Aireal D; Brandon, R Jacob; Konovalova, Tatyana; Desrochers, Patrick J; Pulay, Peter; Vicic, David A","Ligand redox effects in the synthesis, electronic structure, and reactivity of an alkyl-alkyl cross-coupling catalyst.","Journal of the American Chemical Society","2006","128","40","13175","13183","10.1021/ja063334i","","","0.7107","MoKα","","0.0368","0.0319","","","0.0811","0.0849","","","","","","1.076","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101385","23.9275","0.0007","14.7281","0.0005","25.8285","0.0007","90.033","0.003","91.522","0.002","90.048","0.003","9098.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C102 H90 Cl4 N4 O6 Ru2 -","- C102 H90 Cl4 N4 O6 Ru2 -","- C408 H360 Cl16 N16 O24 Ru8 -","4","1","","Samec, Joseph S M; Ell, Alida H; Aberg, Jenny B; Privalov, Timofei; Eriksson, Lars; Bäckvall, Jan-E","Mechanistic study of hydrogen transfer to imines from a hydroxycyclopentadienyl ruthenium hydride. Experimental support for a mechanism involving coordination of imine to ruthenium prior to hydrogen transfer.","Journal of the American Chemical Society","2006","128","44","14293","14305","10.1021/ja061494o","","","0.71073","MoKα","","0.1167","0.0583","","","0.1562","0.1839","","","","","","1.002","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101858","12.3808","0.0005","7.1865","0.0002","17.5078","0.0008","90","","98.452","0.002","90","","1540.83","0.1","297.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H22 O -","- C19 H22 O -","- C76 H88 O4 -","4","1","","Vanessa M. Marx; D. Jean Burnell","Nazarov Cyclizations of an Allenyl Vinyl Ketone with Interception of the Oxyallyl Cation Intermediate for the Formation of Carbon-Carbon Bonds","Journal of the American Chemical Society","2010","132","","1685","1689","10.1021/ja909073r","","","0.7107","MoKα","","","0.0526","","","","0.0693","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101965","17.1957","","4.6403","","12.03","","90","","109.939","","90","","902.369","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101968","19.9525","","4.5351","","11.0565","","90","","68.2256","","90","","929.083","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4102260","17.071","0.006","9.127","0.003","22.864","0.008","90","","111.787","0.0011","90","","3308","2","150","","150","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H50 Si6 -","- C28 H50 Si6 -","- C112 H200 Si24 -","4","1","","Takashi Abe; Takeaki Iwamoto; Mitsuo Kira","A Stable 1,2-Disilacyclohexene and Its 14-Electron Palladium(0) Complex","Journal of the American Chemical Society","2010","132","","5008","5009","10.1021/ja101654b","","","0.7107","MoKα","","0.0563","0.0534","","","0.1129","0.1144","","","","","","1.227","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102471","10.068","0.004","27.269","0.007","11.909","0.004","90","","113.082","0.013","90","","3007.8","1.8","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C62 H32 Cl8 F20 N6 O2 -","- C62 H32 Cl8 F20 N6 O2 -","- C124 H64 Cl16 F40 N12 O4 -","2","0.5","","Taro Koide; Ko Furukawa; Hiroshi Shinokubo; Jae-Yoon Shin; Kil Suk Kim; Dongho Kim; Atsuhiro Osuka","A Stable Non-Kekulé Singlet Biradicaloid from meso-Free 5,10,20,25-Tetrakis(Pentafluorophenyl)-Substituted [26]Hexaphyrin(1.1.1.1.1.1)","Journal of the American Chemical Society","2010","132","","7246","7247","10.1021/ja101040s","","","0.71075","MoKα","","0.1091","0.0778","","","0.2301","0.2555","","","","","","1.071","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102523","13.331","0.004","13.03","0.004","22.476","0.007","90","","105.846","0.003","90","","3756","2","173","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C192 H152 N8 O8 -","8","2","","Itaru Nakamura; Dong Zhang; Masahiro Terada","Copper-Catalyzed Tandem [2,3]-Rearrangement and 6π-3-Azatriene Electrocyclization in (E)-O-Propargylic α,β-Unsaturated Oximes","Journal of the American Chemical Society","2010","132","","7884","7886","10.1021/ja102436z","","","0.7107","MoKα","","","0.0393","","","","0.0857","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102932","11.161","0.005","9.014","0.004","13.808","0.006","90","","96.384","0.006","90","","1380.5","1.1","193.1","","193.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H13 N O4 -","- C18 H13 N O4 -","- C72 H52 N4 O16 -","4","1","","Masato Ito; Chika Kobayashi; Akio Himizu; Takao Ikariya","Highly Enantioselective Hydrogenative Desymmetrization of Bicyclic Imides Leading to Multiply Functionalized Chiral Cyclic Compounds","Journal of the American Chemical Society","2010","132","","11414","11415","10.1021/ja105048c","","","0.7107","MoKα","","","0.038","","","","0.1121","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102972","14.038","0.0017","10.9503","0.0017","15.929","0.003","90","","101.329","0.011","90","","2400.9","0.7","150","","150","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","4-(4-(tert-butyl)phenyl)-5-iodo-3-methyl-1- n-octyl-1H-1,2,3-triazol-3-ium chloride","","- C21 H33 Cl I N3 -","- C21 H33 Cl I N3 -","- C84 H132 Cl4 I4 N12 -","4","1","","Nathan L. Kilah; Matthew D. Wise; Christopher J. Serpell; Amber L. Thompson; Nicholas G. White; Kirsten E. Christensen; Paul D. Beer","Enhancement of Anion Recognition Exhibited by a Halogen-Bonding Rotaxane Host System","Journal of the American Chemical Society","2010","132","","11893","11895","10.1021/ja105263q","","","0.71073","MoKα","","0.1773","0.1482","","0.2109","0.1734","0.1734","","","","","","1.1198","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103039","17.5658","0.0004","27.0237","0.0007","18.013","0.0004","90","","117.338","0.0007","90","","7595.6","0.3","173","","173","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C79 H98 Cl6 Cu N4 -","- C79 H98 Cl6 Cu N4 -","- C316 H392 Cl24 Cu4 N16 -","4","1","","Yohsuke Yamamoto; Yusuke Hirata; Megumi Kodama; Torahiko Yamaguchi; Shiro Matsukawa; Kin-ya Akiba; Daisuke Hashizume; Fujiko Iwasaki; Atsuya Muranaka; Masanobu Uchiyama; Ping Chen; Karl M. Kadish; Nagao Kobayashi","Synthesis, Reactions, and Electronic Properties of 16 π-Electron Octaisobutyltetraphenylporphyrin","Journal of the American Chemical Society","2010","132","","12627","12638","10.1021/ja102817a","","","0.71075","MoKα","","0.102","0.0713","","","0.1704","0.1857","","","","","","1.06","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103040","17.56","0.02","27.034","0.014","18.17","0.03","90","","117.05","0.17","90","","7682","2","173","","173","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C79 H98 Cl6 N4 Pd -","- C79 H98 Cl6 N4 Pd -","- C316 H392 Cl24 N16 Pd4 -","4","1","","Yohsuke Yamamoto; Yusuke Hirata; Megumi Kodama; Torahiko Yamaguchi; Shiro Matsukawa; Kin-ya Akiba; Daisuke Hashizume; Fujiko Iwasaki; Atsuya Muranaka; Masanobu Uchiyama; Ping Chen; Karl M. Kadish; Nagao Kobayashi","Synthesis, Reactions, and Electronic Properties of 16 π-Electron Octaisobutyltetraphenylporphyrin","Journal of the American Chemical Society","2010","132","","12627","12638","10.1021/ja102817a","","","0.71075","MoKα","","0.0868","0.056","","","0.1611","0.1703","","","","","","1.03","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103859","15.104","0.0002","14.136","0.0002","16.745","0.0003","90","","99.633","0.001","90","","3524.82","0.09","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C40 H42 F N2 O P Ru -","- C40 H42 F N2 O P Ru -","- C160 H168 F4 N8 O4 P4 Ru4 -","4","1","","Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey","Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2009","131","","1847","1861","10.1021/ja806545e","","","0.71073","MoKα","","0.0443","0.0318","","","0.0729","0.0787","","","","","","1.071","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103860","13.731","0.0001","13.606","0.0001","21.764","0.0003","90","","105.746","0.004","90","","3913.46","0.1","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C44 H48 F N2 O2 P Ru -","- C44 H48 F N2 O2 P Ru -","- C176 H192 F4 N8 O8 P4 Ru4 -","4","1","","Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey","Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2009","131","","1847","1861","10.1021/ja806545e","","","0.71073","MoKα","","0.0646","0.0396","","","0.0945","0.1059","","","","","","1.054","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103908","10.8911","0.0007","34.7331","0.0018","11.3866","0.0007","90","","108.577","0.0015","90","","4082.9","0.4","103.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C52 H35 Cl3 Fe N3 -","- C53 H36 Cl3 Fe N3 -","- C212 H144 Cl12 Fe4 N12 -","4","1","","Ken Albrecht; Kimihisa Yamamoto","Dendritic Structure Having a Potential Gradient: New Synthesis and Properties of Carbazole Dendrimers","Journal of the American Chemical Society","2009","131","","2244","2251","10.1021/ja807312e","","","0.71075","MoKα","","","0.0556","","","","0.1389","","","","","","0.882","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103990","8.982","0.006","16.187","0.011","12.881","0.009","90","0.004","92.017","0.004","90","0.004","1872","2","113","2","113","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H18 N2 O -","- C26 H18 N2 O -","- C104 H72 N8 O4 -","4","1","","Takuya Kochi; Seiya Urano; Hajime Seki; Eiichiro Mizushima; Mitsuo Sato; Fumitoshi Kakiuchi","Ruthenium-Catalyzed Amino- and Alkoxycarbonylations with Carbamoyl Chlorides and Alkyl Chloroformates via Aromatic C-H Bond Cleavage","Journal of the American Chemical Society","2009","131","","2792","2793","10.1021/ja8097492","","","0.7107","MoKα","","0.0369","0.0344","","","0.0834","0.0853","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104009","9.331","0.002","16.104","0.003","10.041","0.002","90","","97.237","0.014","90","","1496.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","tert-butyl 4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-1-carboxylate","","- C15 H20 N2 O2 -","- C15 H20 N1.97 O2 -","- C60 H80 N7.88 O8 -","4","1","","K. C. Nicolaou; Arkady Krasovskiy; Utpal Majumder; Vincent É. Trépanier; David Y.-K. Chen","New Synthetic Technologies for the Construction of Heterocycles and Tryptamines","Journal of the American Chemical Society","2009","131","","3690","3699","10.1021/ja808692j","","x-ray","0.7107","MoKα","","0.1013","0.0969","","","0.2064","0.2114","","","","","","1.091","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104115","13.8094","0.0009","15.6034","0.0008","15.091","0.001","90","","100.736","0.004","90","","3194.8","0.3","93.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C31 H29 Br4 Fe N4 O2 -","- C31 H29 Br4 Fe N4 O2 -","- C124 H116 Br16 Fe4 N16 O8 -","4","1","","Yuki Masuda; Masato Kuratsu; Shuichi Suzuki; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Yuko Hosokoshi; Xiao-Zheng Lan; Yuji Miyazaki; Akira Inaba; Keiji Okada","A New Ferrimagnet Based on a Radical-Substituted Radical Cation Salt","Journal of the American Chemical Society","2009","131","","4670","4673","10.1021/ja808093z","","","0.7107","MoKα","","","0.0443","","","","0.067","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104212","9.4644","0.0006","17.9359","0.0006","15.7593","0.001","90","","101.591","0.002","90","","2620.6","0.3","173","2","173","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C20 H21 F6 N7 O6 S2 Zn -","- C20 H21 F6 N7 O6 S2 Zn -","- C80 H84 F24 N28 O24 S8 Zn4 -","4","1","","Sébastien Ulrich; Jean-Marie Lehn","Adaptation to Shape Switching by Component Selection in a Constitutional Dynamic System","Journal of the American Chemical Society","2009","131","","5546","5559","10.1021/ja809828g","","","0.71073","MoKα","","0.1422","0.0747","","","0.1966","0.2324","","","","","","1.043","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104391","19.5083","0.001","18.2986","0.0005","22.217","0.001","90","","113.4","0.0019","90","","7278.6","0.5","153.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C75 H98 Cl6 Ir2 O6 P2 -","- C75 H98 Cl6 Ir2 O6 P2 -","- C300 H392 Cl24 Ir8 O24 P8 -","4","1","","Tomohiro Iwai; Tetsuaki Fujihara; Jun Terao; Yasushi Tsuji","Iridium-Catalyzed Addition of Acid Chlorides to Terminal Alkynes","Journal of the American Chemical Society","2009","131","","6668","6669","10.1021/ja901778y","","","0.7107","MoKα","","","0.0373","","","","0.0907","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104393","14.7624","0.0015","5.7017","0.0006","16.5862","0.0015","90","","94.381","0.006","90","","1392","0.2","153.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H13 Cl O3 -","- C17 H13 Cl O3 -","- C68 H52 Cl4 O12 -","4","1","","Tomohiro Iwai; Tetsuaki Fujihara; Jun Terao; Yasushi Tsuji","Iridium-Catalyzed Addition of Acid Chlorides to Terminal Alkynes","Journal of the American Chemical Society","2009","131","","6668","6669","10.1021/ja901778y","","","0.7107","MoKα","","","0.0437","","","","0.0584","","","","","","0.962","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104579","12.4922","0.0007","7.4836","0.0003","18.1749","0.0007","90","","102.338","0.0014","90","","1659.87","0.13","173.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C16 H18 Cl F3 Ir N O -","- C16 H18 Cl F3 Ir N O -","- C64 H72 Cl4 F12 Ir4 N4 O4 -","4","1","","Ryohei Yamaguchi; Chikako Ikeda; Yoshinori Takahashi; Ken-ichi Fujita","Homogeneous Catalytic System for Reversible Dehydrogenation-Hydrogenation Reactions of Nitrogen Heterocycles with Reversible Interconversion of Catalytic Species","Journal of the American Chemical Society","2009","131","","8410","8412","10.1021/ja9022623","","","0.71075","MoKα","","","0.0369","","","","0.0446","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104689","12.66","0.006","15.48","0.008","14.755","0.007","90","","90.479","0.002","90","","2892","2","103.15","","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H41 B N2 O -","- C33 H41 B N2 O -","- C132 H164 B4 N8 O4 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0782","0.0572","","","0.1295","0.1415","","","","","","1.122","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104696","16.6728","0.0005","13.871","0.0005","18.4067","0.0006","90","","107.207","0.0012","90","","4066.4","0.2","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C29 H18 B F4 N -","- C29 H18 B F4 N -","- C232 H144 B8 F32 N8 -","8","2","","Dongqing Wu; Wojciech Pisula; Volker Enkelmann; Xinliang Feng; Klaus Müllen","Controllable Columnar Organization of Positively Charged Polycyclic Aromatic Hydrocarbons by Choice of Counterions","Journal of the American Chemical Society","2009","131","","9620","9621","10.1021/ja902420u","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104704","19.342","0.0002","21.149","0.0002","20.209","0.0002","90","","104.358","0.001","90","","8008.56","0.14","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C76 H93 B F24 N8 Ru -","- C76 H93 B F24 N8 Ru -","- C304 H372 B4 F96 N32 Ru4 -","4","1","","L. Jonas L. Häller; Elena Mas-Marzá; Aitor Moreno; John P. Lowe; Stuart A. Macgregor; Mary F. Mahon; Paul S. Pregosin; Michael K. Whittlesey","Formation of [Ru(NHC)4(η2-O2)H]+: An Unusual, High Frequency Hydride Chemical Shift and Facile, Reversible Coordination of O2","Journal of the American Chemical Society","2009","131","","9618","9619","10.1021/ja9039345","","","0.71073","MoKα","","0.0825","0.0533","","","0.1183","0.1355","","","","","","1.048","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104705","19.049","0.0002","21.272","0.0003","20.325","0.0003","90","","103.628","0.001","90","","8004.03","0.19","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C76 H93 B F24 N8 O2 Ru -","- C76 H92 B F24 N8 O2 Ru -","- C304 H368 B4 F96 N32 O8 Ru4 -","4","1","","L. Jonas L. Häller; Elena Mas-Marzá; Aitor Moreno; John P. Lowe; Stuart A. Macgregor; Mary F. Mahon; Paul S. Pregosin; Michael K. Whittlesey","Formation of [Ru(NHC)4(η2-O2)H]+: An Unusual, High Frequency Hydride Chemical Shift and Facile, Reversible Coordination of O2","Journal of the American Chemical Society","2009","131","","9618","9619","10.1021/ja9039345","","","0.71073","MoKα","","0.134","0.0673","","","0.1492","0.1796","","","","","","1.066","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104706","19.572","0.0003","21.174","0.0003","20.244","0.0003","90","","104.875","0.001","90","","8108.3","0.2","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C77 H93 B F24 N8 O Ru -","- C77 H92 B F24 N8 O Ru -","- C308 H368 B4 F96 N32 O4 Ru4 -","4","1","","L. Jonas L. Häller; Elena Mas-Marzá; Aitor Moreno; John P. Lowe; Stuart A. Macgregor; Mary F. Mahon; Paul S. Pregosin; Michael K. Whittlesey","Formation of [Ru(NHC)4(η2-O2)H]+: An Unusual, High Frequency Hydride Chemical Shift and Facile, Reversible Coordination of O2","Journal of the American Chemical Society","2009","131","","9618","9619","10.1021/ja9039345","","","0.71073","MoKα","","0.1121","0.0664","","","0.1453","0.1739","","","","","","1.057","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104878","8.182","0.004","15.809","0.009","8.773","0.005","90","","94.5764","0.0018","90","","1131.2","1.1","103","2","103","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H10 Cl N -","- C15 H10 Cl N -","- C60 H40 Cl4 N4 -","4","1","","Fumitoshi Kakiuchi; Takuya Kochi; Hitoshi Mutsutani; Noboru Kobayashi; Seiya Urano; Mitsuo Sato; Shigeru Nishiyama; Takamasa Tanabe","Palladium-Catalyzed Aromatic C-H Halogenation with Hydrogen Halides by Means of Electrochemical Oxidation","Journal of the American Chemical Society","2009","131","","11310","11311","10.1021/ja9049228","","","0.7107","MoKα","","0.034","0.0307","","","0.084","0.0865","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105019","24.966","0.003","23.633","0.002","26.912","0.003","90","","98.348","0.0016","90","","15710","3","173.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C100 H147 Fe10 N2 S11 Si16 -","- C100 H147 Fe10 N2 S11 Si16 -","- C400 H588 Fe40 N8 S44 Si64 -","4","1","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.1175","","","","0.2945","","","","","","1.715","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105132","27.695","0.008","15.054","0.005","32.739","0.011","90","0.0014","102.696","0.0016","90","0.0014","13316","7","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C78 H84 O6 Si3 -","- C78 H84 O6 Si3 -","- C624 H672 O48 Si24 -","8","2","","Shunsuke Furukawa; Junji Kobayashi; Takayuki Kawashima","Development of a Sila-Friedel-Crafts Reaction and Its Application to the Synthesis of Dibenzosilole Derivatives","Journal of the American Chemical Society","2009","131","","14192","14193","10.1021/ja906566r","","","0.7107","MoKα","","0.1961","0.1489","","","0.3862","0.4551","","","","","","1.58","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105361","9.669","","11.802","","10.02","","90","","111.59","","90","","1063.2","","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","rac-(1R,4S,6R)-4,6-Dimethyl-2-(propan-2-ylidene)-1,3-dithiane-1-oxide","","- C9 H16 O S2 -","- C9 H16 O S2 -","- C36 H64 O4 S8 -","4","1","","Roland Ulshöfer; Joachim Podlech","Stereoelectronic Effects in Vinyl Sulfoxides","Journal of the American Chemical Society","2009","131","","16618","16619","10.1021/ja904354g","","","0.71073","MoKα","","0.0483","0.0391","","","0.1175","0.122","","","","","","1.07","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105374","14.06","0.002","4.0593","0.0006","14.259","0.002","90","","93.524","0.005","90","","812.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","AuEtthiazdt2neutral","","","- C10 H10 Au N2 S8 -","- C10 H10 Au N2 S8 -","- C20 H20 Au2 N4 S16 -","2","0.5","","Nadine Tenn; Nathalie Bellec; Olivier Jeannin; Lidia Piekara-Sady; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","A Single-Component Molecular Metal Based on a Thiazole Dithiolate Gold Complex","Journal of the American Chemical Society","2009","131","","16961","16967","10.1021/ja907426s","","","0.71073","MoKα","","0.0421","0.0322","","","0.0664","0.0702","","","","","","1.061","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105499","7.873","0.003","26.978","0.01","10.642","0.004","90","","109.945","0.004","90","","2124.8","1.4","293","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C19 H10 Au2 Cl N7 Pb -","- C19 H10 Au2 Cl N7 Pb -","- C76 H40 Au8 Cl4 N28 Pb4 -","4","1","","Michael J. Katz; Daniel B. Leznoff","Highly Birefringent Cyanoaurate Coordination Polymers: The Effect of Polarizable C-X Bonds (X = Cl, Br)","Journal of the American Chemical Society","2009","131","","18435","18444","10.1021/ja907519c","","","0.71073","MoKα","","0.1053","0.0747","","0.5973","0.0822","0.0819","","","","","","3.505","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105534","16.8292","0.0003","11.1616","0.0002","18.6043","0.0003","90","","101.781","0.0011","90","","3421.03","0.1","100","2","100","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C35 H30 Cl4 N2 O2 P2 Pt -","- C35 H30 Cl4 N2 O2 P2 Pt -","- C140 H120 Cl16 N8 O8 P8 Pt4 -","4","1","","Urs Gellrich; Jing Huang; Wolfgang Seiche; Manfred Keller; Markus Meuwly; Bernhard Breit","Ligand Self-Assembling through Complementary Hydrogen-Bonding in the Coordination Sphere of a Transition Metal Center: The 6-Diphenylphosphanylpyridin-2(1H)-one System","Journal of the American Chemical Society","2011","133","","964","975","10.1021/ja108639e","","","0.71073","MoKα","","0.025","0.0205","","","0.0478","0.0496","","","","","","1.059","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105627","18.932","0.004","6.7865","0.0013","20.175","0.004","90","","114.731","0.0009","90","","2354.4","0.8","123.1","","123.1","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C24 H29 Cl2 N O2 Pt -","- C24 H29 Cl2 N O2 Pt -","- C96 H116 Cl8 N4 O8 Pt4 -","4","1","","Katsuhiko Tomooka; Takayuki Ezawa; Hiroko Inoue; Kazuhiro Uehara; Kazunobu Igawa","Dynamic Chirality of (E)-5-Cyclononen-1-one and its Enolate","Journal of the American Chemical Society","2011","133","","1754","1756","10.1021/ja1092375","","","0.7107","MoKα","","","0.0495","","","","0.1314","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105694","9.976","0.003","37.485","0.013","10.185","0.004","90","","95.426","0.004","90","","3792","2","103.15","","103","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C145 H24 S6 -","- C145 H24 S6 -","- C290 H48 S12 -","2","0.5","","Masakazu Nambo; Yasutomo Segawa; Kenichiro Itami","Aziridinofullerene: A Versatile Platform for Functionalized Fullerenes","Journal of the American Chemical Society","2011","133","","2402","2405","10.1021/ja111213k","","","0.7107","MoKα","","0.1291","0.0846","","","0.1865","0.2144","","","","","","1.097","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105869","6.334","0.002","7.462","0.005","19.516","0.002","90","","93.06","0.03","90","","921.1","0.7","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","DPh-BTBT","DPh-BTBT","","- C26 H16 S2 -","- C26 H16 S2 -","- C52 H32 S4 -","2","0.5","","Shoji Shinamura; Itaru Osaka; Eigo Miyazaki; Akiko Nakao; Masakazu Yamagishi; Jun Takeya; Kazuo Takimiya","Linear- and Angular-Shaped Naphthodithiophenes: Selective Synthesis, Properties, and Application to Organic Field-Effect Transistors","Journal of the American Chemical Society","2011","133","","5024","5035","10.1021/ja110973m","","","1","synchrotron","","0.1064","0.0843","","","0.2231","0.2377","","","","","","1.011","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4106471","6.8663","0.0017","13.572","0.003","11.058","0.003","90","","103.851","0.004","90","","1000.5","0.4","123.1","","123.1","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H8 N4 -","- C12 H8 N4 -","- C48 H32 N16 -","4","1","","Kosuke Namba; Ayumi Osawa; Shoji Ishizaka; Noboru Kitamura; Keiji Tanino","Direct Synthesis of Fluorescent 1,3a,6a-Triazapentalene Derivatives via Click-Cyclization-Aromatization Cascade Reaction","Journal of the American Chemical Society","2011","133","","11466","11469","10.1021/ja203917r","","","0.7107","MoKα","","","0.0461","","","","0.1106","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106500","12.9378","0.0008","8.0214","0.0006","20.4472","0.0011","90","","96.7134","0.0018","90","","2107.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","YS-11-04","trans-3,4-dibenzoyl-tosylpyrrolidine","","- C25 H23 N O4 S -","- C25 H23 N O4 S -","- C100 H92 N4 O16 S4 -","4","1","","Yosuke Ashikari; Toshiki Nokami; Jun-ichi Yoshida","Integrated Electrochemical-Chemical Oxidation Mediated by Alkoxysulfonium Ions","Journal of the American Chemical Society","2011","133","","11840","11843","10.1021/ja202880n","","","0.71075","MoKα","","0.0428","0.0366","","","0.0951","0.0988","","","","","","1.013","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106674","17.7379","0.0011","11.9358","0.0007","11.4315","0.001","90","","90.061","0.009","90","","2420.2","0.3","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C19 H45 Li N4 Zn -","- C19 H45 Li N4 Zn -","- C76 H180 Li4 N16 Zn4 -","4","1","","Ross Campbell; Daniel Cannon; Pablo García-Álvarez; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson; Jörg Saßmannshausen; Tell Tuttle","Main Group Multiple C-H/N-H Bond Activation of a Diamine and Isolation of A Molecular Dilithium Zincate Hydride: Experimental and DFT Evidence for Alkali Metal-Zinc Synergistic Effects","Journal of the American Chemical Society","2011","133","","13706","13717","10.1021/ja205547h","","","1.5418","CuKα","","0.082","0.0541","","","0.1206","0.1289","","","","","","1.061","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106963","26.1743","0.0006","19.2424","0.0005","29.4693","0.0006","90","","98.154","0.001","90","","14692.3","0.6","173","2","173","2","","","","","","","synthesis as described","8","P 1 21/a 1","-P 2yab","14","TLC127 CH2Cl2/Et2O","","","- C60 H72 Ag2 Au2 F22 I4 N2 O4 -","- C60 H72 Ag2 Au2 F22 I4 N2 O4 -","- C480 H576 Ag16 Au16 F176 I32 N16 O32 -","8","2","","Tania Lasanta; M. Elena Olmos; Antonio Laguna; José M. López-de-Luzuriaga; Panče Naumov","Making the Golden Connection: Reversible Mechanochemical and Vapochemical Switching of Luminescence from Bimetallic Gold-Silver Clusters Associated through Aurophilic Interactions","Journal of the American Chemical Society","2011","133","","16358","16361","10.1021/ja206845s","","x-ray","0.71073","MoKα","","0.154","0.0583","","","0.0726","0.0917","","","","","","1.011","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4107136","16.3263","0.001","17.2761","0.001","17.4555","0.0011","90","","90.027","0.003","90","","4923.4","0.5","113","2","113","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","9b","","","- C39 H49 Cl13 Co N2 Ta -","- C39 H49 Cl13 Co N2 Ta -","- C156 H196 Cl52 Co4 N8 Ta4 -","4","1","","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","","0.0981","0.0663","","","0.1618","0.2017","","","","","","1.098","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107142","18.635","0.002","27.701","0.003","27.386","0.003","90","","99.7603","0.0014","90","","13932","3","113.1","","113.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C120 H184 Ge6 P12 Pd8 -","- C120 H170 Ge6 P12 Pd8 -","- C480 H680 Ge24 P48 Pd32 -","4","1","","Makoto Tanabe; Naoko Ishikawa; Mai Chiba; Tomohito Ide; Kohtaro Osakada; Tomoaki Tanase","Tetrapalladium Complex with Bridging Germylene Ligands. Structural Change of the Planar Pd4Ge3 Core","Journal of the American Chemical Society","2011","133","","18598","18601","10.1021/ja208565q","","","0.7107","MoKα","","0.0983","0.0799","","","0.1158","0.1225","","","","","","1.302","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107180","12.08","0.0002","6.576","0.0001","19.293","0.0004","90","","104.5","0.001","90","","1483.78","0.05","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H15 N O2 S -","- C18 H15 N O2 S -","- C72 H60 N4 O8 S4 -","4","1","","Ourida Saidi; Jameel Marafie; Araminta E. W. Ledger; Po Man Liu; Mary F. Mahon; Gabriele Kociok-Köhn; Michael K. Whittlesey; Christopher G. Frost","Ruthenium-Catalyzed Meta Sulfonation of 2-Phenylpyridines","Journal of the American Chemical Society","2011","133","","19298","19301","10.1021/ja208286b","","","0.71073","MoKα","","0.0506","0.0391","","","0.0941","0.1002","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107182","11.6399","0.0004","6.7536","0.0002","17.8463","0.0007","90","","92.162","0.002","90","","1401.92","0.08","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H12 F N O2 S -","- C17 H12 F N O2 S -","- C68 H48 F4 N4 O8 S4 -","4","1","","Ourida Saidi; Jameel Marafie; Araminta E. W. Ledger; Po Man Liu; Mary F. Mahon; Gabriele Kociok-Köhn; Michael K. Whittlesey; Christopher G. Frost","Ruthenium-Catalyzed Meta Sulfonation of 2-Phenylpyridines","Journal of the American Chemical Society","2011","133","","19298","19301","10.1021/ja208286b","","","0.71073","MoKα","","0.0582","0.0403","","","0.0928","0.1012","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107557","18.888","0.003","13.641","0.002","21.276","0.004","90","","113.504","0.002","90","","5027","1.4","123.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C55 H75 Cl Fe2 N P2 Rh -","- C55 H75 Cl Fe2 N P2 Rh -","- C220 H300 Cl4 Fe8 N4 P8 Rh4 -","4","1","","Denise A. Colby; Robert G. Bergman; Jonathan A. Ellman","Synthesis of Dihydropyridines and Pyridines from Imines and Alkynes via C-H Activation","Journal of the American Chemical Society","2008","130","","3645","3651","10.1021/ja7104784","","","0.7107","MoKα","","0.0866","0.0404","","0.053","","0.0433","","","","","","1.27","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108063","12.763","0.004","16.265","0.007","16.571","0.006","90","","92.249","0.012","90","","3437","2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C40 H45 N Rh2 -","- C40 H45 N Rh2 -","- C160 H180 N4 Rh8 -","4","1","","Shin Takemoto; Shohei Otsuki; Yasuhiro Hashimoto; Ken Kamikawa; Hiroyuki Matsuzaka","Divalent Dirhodium Imido Complexes: Formation, Structure, and Alkyne Cycloaddition Reactivity","Journal of the American Chemical Society","2008","130","","8904","8905","10.1021/ja8033922","","","0.71075","MoKα","","0.1543","0.1013","","","0.2629","0.2837","","","","","","1.431","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108283","12.072","0.003","11.15","0.003","13.468","0.004","90","0.002","108.622","0.002","90","0.002","1717.9","0.8","123.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Jun-ichi Matsuo; Shun Sasaki; Hiroyuki Tanaka; Hiroyuki Ishibashi","Lewis Acid-Catalyzed Intermolecular [4 + 2] Cycloaddition of 3-Alkoxycyclobutanones to Aldehydes and Ketones","Journal of the American Chemical Society","2008","130","","11600","11601","10.1021/ja8045684","","","0.7107","MoKα","","","0.0636","","","","0.0795","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108288","19.672","0.003","18.066","0.003","19.481","0.004","90","","93.826","0.003","90","","6908","2","173.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C69 H61 B F24 P Rh S -","- C69 H52 B F23.88 P Rh S -","- C276 H208 B4 F95.52 P4 Rh4 S4 -","4","1","","Yasuhiro Ohki; Mayumi Sakamoto; Kazuyuki Tatsumi","Reversible Heterolysis of H2 Mediated by an M-S(Thiolate) Bond (M = Ir, Rh): A Mechanistic Implication for [NiFe] Hydrogenase","Journal of the American Chemical Society","2008","130","","11610","11611","10.1021/ja804848w","","","0.7107","MoKα","","","0.0708","","","","0.1978","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108565","16.4909","0.0006","10.7097","0.0004","18.2991","0.0006","90","","93.922","0.003","90","","3224.3","0.2","293","","293","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C48 H30 -","- C48 H30 -","- C192 H120 -","4","1","","Matthew Carnes; Daniela Buccella; Theo Siegrist; Michael L. Steigerwald; Colin Nuckolls","Reactions of Strained Hydrocarbons with Alkene and Alkyne Metathesis Catalysts","Journal of the American Chemical Society","2008","130","","14078","14079","10.1021/ja806351m","","","0.71073","MoKα","","0.1704","0.0617","","0.1711","0.059","0.059","","","","","","1.5652","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108729","12.66","0.006","15.48","0.008","14.755","0.007","90","","90.479","0.002","90","","2892","2","103.15","","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H41 B N2 O -","- C33 H41 B N2 O -","- C132 H164 B4 N8 O4 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.0782","0.0572","","","0.1295","0.1415","","","","","","1.122","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109035","15.512","0.002","10.083","0.001","16.336","0.002","90","","111.022","0.002","90","","2385","0.5","173.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C21 H41 Cl Ir O P -","- C21 H41 Cl Ir O P -","- C84 H164 Cl4 Ir4 O4 P4 -","4","1","","Mitchell R. Anstey; Cathleen M. Yung; Juana Du; Robert G. Bergman","Unexpected C-C Bond Cleavage and C-C Bond Formation Observed in the Reaction of a Cationic Iridium Complex with Heteroatom-Substituted Cyclopropanes","Journal of the American Chemical Society","2007","129","","776","777","10.1021/ja068312a","","","0.7107","MoKα","","0.0671","0.0368","","0.0466","","0.041","","","","","","1.291","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109307","8.017","0.007","21.24","0.02","16.75","0.02","90","","90.28","0.05","90","","2852","5","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C37 H21 B N6 O -","- C37 H21 B N6 O -","- C148 H84 B4 N24 O4 -","4","1","","Yasuhide Inokuma; Zin Seok Yoon; Dongho Kim; Atsuhiro Osuka","meso-Aryl-Substituted Subporphyrins: Synthesis, Structures, and Large Substituent Effects on Their Electronic Properties","Journal of the American Chemical Society","2007","129","","4747","4761","10.1021/ja069324z","","","0.71075","MoKα","","0.1589","0.0854","","","0.1701","0.2036","","","","","","1.023","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109378","13.5714","0.0002","7.3787","0.0001","19.5966","0.0004","90","","104.157","0.001","90","","1902.79","0.06","120","1","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H27 N O2 S Si -","- C18 H27 N O2 S Si -","- C72 H108 N4 O8 S4 Si4 -","4","1","","Florian Monnier; Chloé Vovard-Le Bray; Dante Castillo; Vincent Aubert; Sylvie Dérien; Pierre H. Dixneuf; Loic Toupet; Andrea Ienco; Carlo Mealli","Selective Ruthenium-Catalyzed Transformations of Enynes with Diazoalkanes into Alkenylbicyclo[3.1.0]hexanes","Journal of the American Chemical Society","2007","129","","6037","6049","10.1021/ja0700146","","","0.71069","MoKα","","0.066","0.0509","","","0.1426","0.1579","","","","","","1.02","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109379","12.556","0.0002","12.583","0.0002","13.036","0.0002","90","","100.506","0.001","90","","2025.06","0.06","130","1","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H29 N O2 S Si -","- C20 H29 N O2 S Si -","- C80 H116 N4 O8 S4 Si4 -","4","1","","Florian Monnier; Chloé Vovard-Le Bray; Dante Castillo; Vincent Aubert; Sylvie Dérien; Pierre H. Dixneuf; Loic Toupet; Andrea Ienco; Carlo Mealli","Selective Ruthenium-Catalyzed Transformations of Enynes with Diazoalkanes into Alkenylbicyclo[3.1.0]hexanes","Journal of the American Chemical Society","2007","129","","6037","6049","10.1021/ja0700146","","","0.71069","MoKα","","0.0415","0.0376","","","0.1024","0.1063","","","","","","1.056","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109524","6.9438","0.0012","7.6221","0.0016","21.557","0.004","90","","94.07","0.02","90","","1138.1","0.4","180","2","180","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","rac-(3S,4R)-3.4-Dihydroxy-6-phenylhexan-2-one","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","","Morris Markert; Michael Mulzer; Bernd Schetter; Rainer Mahrwald","Amine-Catalyzed Direct Aldol Addition","Journal of the American Chemical Society","2007","129","","7258","7259","10.1021/ja071926a","","","0.71073","MoKα","","0.0958","0.0736","","","0.185","0.2058","","","","","","0.978","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109548","14.133","0.007","5.25","0.003","16.352","0.008","90","","96.172","0.018","90","","1206.3","1.1","123","2","123","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Takahiro Nishimura; Yuichi Yasuhara; Tamio Hayashi","Iridium-Catalyzed [3 + 2] Annulation of 1,3-Dienes with ortho-Carbonylated Phenylboronic Acids. A Catalytic Process Involving Regioselective 1,2-Addition","Journal of the American Chemical Society","2007","129","","7506","7507","10.1021/ja072369v","","","0.71075","MoKα","","0.0621","0.0506","","","0.1249","0.136","","","","","","1.08","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109751","12.66","0.006","15.48","0.008","14.755","0.007","90","0.002","90.479","0.002","90","0.002","2892","2","103.15","","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H41 B N2 O -","- C33 H41 B N2 O -","- C132 H164 B4 N8 O4 -","4","1","","Makoto Yamashita; Yuta Suzuki; Yasutomo Segawa; Kyoko Nozaki","Synthesis, Structure of Borylmagnesium, and Its Reaction with Benzaldehyde to Form Benzoylborane","Journal of the American Chemical Society","2007","129","","9570","9571","10.1021/ja073037t","","","0.7107","MoKα","","0.0782","0.0572","","","0.1295","0.1415","","","","","","1.122","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109991","14.3478","0.0003","9.3575","0.0002","16.7753","0.0004","90","","90.5394","0.0013","90","","2252.14","0.09","123.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H24 Cl2 N2 -","- C26 H24 Cl2 N2 -","- C104 H96 Cl8 N8 -","4","1","","Shinji Yamada; Naoko Uematsu; Kaori Yamashita","Role of Cation-π Interactions in the Photodimerization of trans-4-Styrylpyridines","Journal of the American Chemical Society","2007","129","","12100","12101","10.1021/ja074874y","","","1.54187","CuKα","","","0.0779","","","","0.2454","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110018","10.979","0.004","14.52","0.006","14.534","0.006","90","","108.12","0.014","90","","2202","1.5","123.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H23 F3 N2 O3 -","- C24 H23 F3 N2 O3 -","- C96 H92 F12 N8 O12 -","4","1","","Ryo Shintani; Masataka Murakami; Tamio Hayashi","γ-Methylidene-δ-valerolactones as a Coupling Partner for Cycloaddition: Palladium-Catalyzed [4 + 3] Cycloaddition with Nitrones","Journal of the American Chemical Society","2007","129","","12356","12357","10.1021/ja073997f","","","0.71075","MoKα","","","0.068","","","","0.0829","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110122","12.443","0.006","13.305","0.005","25.211","0.009","90","","102.175","0.017","90","","4080","3","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H21 B F2 N2 O2 -","- C25 H21 B F2 N2 O2 -","- C200 H168 B8 F16 N16 O16 -","8","2","","Hiromitsu Maeda; Yohei Haketa; Takashi Nakanishi","Aryl-Substituted C3-Bridged Oligopyrroles as Anion Receptors for Formation of Supramolecular Organogels","Journal of the American Chemical Society","2007","129","","13661","13674","10.1021/ja074435z","","","0.71075","MoKα","","0.123","0.0641","","","0.1865","0.2475","","","","","","1.005","","","","has coordinates,has disorder","178872","2020-10-21","18:00:00",""
"4110183","16.198","0.002","14.5225","0.0019","16.624","0.002","90","","106.924","0.0002","90","","3741.2","0.8","296.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C29 H33 B2 Cl N16 O2 Ru2 -","- C29 H33 B2 Cl N16 O2 Ru2 -","- C116 H132 B8 Cl4 N64 O8 Ru8 -","4","1","","Yasuhiro Arikawa; Taiki Asayama; Yusuke Moriguchi; Shoko Agari; Masayoshi Onishi","Reversible N-N Coupling of NO Ligands on Dinuclear Ruthenium Complexes and Subsequent N2O Evolution: Relevance to Nitric Oxide Reductase","Journal of the American Chemical Society","2007","129","","14160","14161","10.1021/ja0763504","","","0.7107","MoKα","","","0.0354","","","","0.1053","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110184","11.3955","0.0007","30.7747","0.0014","11.7111","0.0007","90","","115.888","0.0007","90","","3694.9","0.4","296.1","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C21 H23 B4 Cl F8 N16 O2 Ru2 -","- C21 H23 B4 Cl F8 N16 O2 Ru2 -","- C84 H92 B16 Cl4 F32 N64 O8 Ru8 -","4","1","","Yasuhiro Arikawa; Taiki Asayama; Yusuke Moriguchi; Shoko Agari; Masayoshi Onishi","Reversible N-N Coupling of NO Ligands on Dinuclear Ruthenium Complexes and Subsequent N2O Evolution: Relevance to Nitric Oxide Reductase","Journal of the American Chemical Society","2007","129","","14160","14161","10.1021/ja0763504","","","0.7107","MoKα","","","0.0789","","","","0.2543","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110185","15.8308","0.0011","16.2176","0.0009","16.1017","0.0011","90","","107.992","0.0009","90","","3931.8","0.4","296.1","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C23 H24 B2 Br Cl7 N14 O Ru2 -","- C23 H23 B2 Br Cl7 N14 O Ru2 -","- C92 H92 B8 Br4 Cl28 N56 O4 Ru8 -","4","1","","Yasuhiro Arikawa; Taiki Asayama; Yusuke Moriguchi; Shoko Agari; Masayoshi Onishi","Reversible N-N Coupling of NO Ligands on Dinuclear Ruthenium Complexes and Subsequent N2O Evolution: Relevance to Nitric Oxide Reductase","Journal of the American Chemical Society","2007","129","","14160","14161","10.1021/ja0763504","","","0.7107","MoKα","","","0.0628","","","","0.1989","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110301","5.864","0.005","7.74","0.007","37.91","0.03","90","0.003","90.589","0.003","90","0.003","1721","3","294.2","","294.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","BTBT-C12","BTBT-C12","","- C38 H56 S2 -","- C38 H56 S2 -","- C76 H112 S4 -","2","0.5","","Hideaki Ebata; Takafumi Izawa; Eigo Miyazaki; Kazuo Takimiya; Masaaki Ikeda; Hirokazu Kuwabara; Tatsuto Yui","Highly Soluble [1]Benzothieno[3,2-b]benzothiophene (BTBT) Derivatives for High-Performance, Solution-Processed Organic Field-Effect Transistors","Journal of the American Chemical Society","2007","129","","15732","15733","10.1021/ja074841i","","","0.7107","MoKα","","0.0957","0.0608","","","0.1405","0.1646","","","","","","0.818","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110492","10.0193","0.0006","20.799","0.001","12.0023","0.0007","90","","112.696","0.002","90","","2307.5","0.2","273.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C12 H18 B2 F8 N6 Pd2 -","- C12 H18 B2 F8 N6 Pd2 -","- C48 H72 B8 F32 N24 Pd8 -","4","1","","Tetsuro Murahashi; Hiromitsu Nakashima; Tomoki Nagai; Yukari Mino; Taketoshi Okuno; M. Abdul Jalil; Hideo Kurosawa","Stereoretentive Elimination and Trans-olefination of the Dicationic Dipalladium Moiety [Pd2Ln]2+ Bound on 1,3,5-Trienes","Journal of the American Chemical Society","2006","128","","4377","4388","10.1021/ja0576740","","","0.7107","MoKα","","","0.0406","","","","0.0501","","","","","","2.427","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110641","17.653","0.0008","17.704","0.0009","23.816","0.0007","90","","110.625","0.002","90","","6966.1","0.5","153","2","153","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","Fe2C60Me5Ph5Cp2_C5v","","- C111 H55 Cl Fe2 -","- C111 H55 Cl Fe2 -","- C444 H220 Cl4 Fe8 -","4","1","","Yutaka Matsuo; Kazukuni Tahara; Eiichi Nakamura","Synthesis and Electrochemistry of Double-Decker Buckyferrocenes","Journal of the American Chemical Society","2006","128","","7154","7155","10.1021/ja061175x","","x-ray","0.71073","MoKα","","0.1109","0.0831","","","0.221","0.2628","","","","","","1.031","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110721","20.58","0.001","12.4542","0.0007","21.982","0.001","90","","100.08","0.005","90","","5547.2","0.5","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C50 H65 N6 P2 Si6 Ta2 -","- C50 H65 N6 P2 Si6 Ta2 -","- C200 H260 N24 P8 Si24 Ta8 -","4","1","","Bruce A. MacKay; Rui F. Munha; Michael D. Fryzuk","Substituent Effects in the Hydrosilylation of Coordinated Dinitrogen in a Ditantalum Complex: Cleavage and Functionalization of N2","Journal of the American Chemical Society","2006","128","","9472","9483","10.1021/ja061508q","","","0.71069","MoKα","","0.1","0.0762","","","0.1523","0.1581","","","","","","1.295","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110795","12.352","0.005","10.816","0.005","12.959","0.005","90","","115.46","0.03","90","","1563.2","1.2","93.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H4 Br F9 O4 S2 -","- C10 Br F9 O4 S2 -","- C40 Br4 F36 O16 S8 -","4","1","","Masahito Ochiai; Norihiro Tada; Kentaro Murai; Satoru Goto; Motoo Shiro","Synthesis and Characterization of Bromonium Ylides and Their Unusual Ligand Transfer Reactions with N-Heterocycles","Journal of the American Chemical Society","2006","128","","9608","9609","10.1021/ja063492+","","","0.7107","MoKα","","","0.063","","","","0.203","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111115","8.976","0.004","24.23","0.012","10.021","0.005","90","","111.058","0.006","90","","2033.9","1.7","143","","143","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H22 O3 -","- C27 H22 O3 -","- C108 H88 O12 -","4","1","","Paul A. Wender; Thomas J. Paxton; Travis J. Williams","Cyclopentadienone Synthesis by Rhodium(I)-Catalyzed [3 + 2] Cycloaddition Reactions of Cyclopropenones and Alkynes","Journal of the American Chemical Society","2006","128","","14814","14815","10.1021/ja065868p","","","0.71073","MoKα","","0.0885","0.0511","","","0.1216","0.1419","","","","","","0.975","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111445","13.072","0.002","12.454","0.002","18.86","0.003","90","","109.734","0.011","90","","2890.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H28 F12 Ir N4 P2 -","- C23 H28 F12 Ir N4 P2 -","- C92 H112 F48 Ir4 N16 P8 -","4","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.0546","0.0393","","0.1011","0.0939","0.1011","","","1.051","","","1.051","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111638","6.154","0.009","7.604","0.009","19.5","0.03","90","","97.18","0.06","90","","905","2","93.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H12 F6 S2 -","- C22 H12 F6 S2 -","- C44 H24 F12 S4 -","2","0.5","","Shinji Ando; Jun-ichi Nishida; Hirokazu Tada; Youji Inoue; Shizuo Tokito; Yoshiro Yamashita","High Performance n-Type Organic Field-Effect Transistors Based on π-Electronic Systems with Trifluoromethylphenyl Groups","Journal of the American Chemical Society","2005","127","","5336","5337","10.1021/ja042219+","","","0.7107","MoKα","","","0.0507","","","","0.0602","","","","","","0.866","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111643","16.122","0.002","15.48","0.002","22.026","0.003","90","","95.67","0.01","90","","5470.1","1.2","173","2","173","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C52 H49 F12 N4 O2 P3 Ru S3 -","- C52 H49 F12 N4 O2 P3 Ru S3 -","- C208 H196 F48 N16 O8 P12 Ru4 S12 -","4","1","","Carolyn Moorlag; Michael O. Wolf; Cornelia Bohne; Brian O. Patrick","Reversible Molecular Switching of Ruthenium Bis(bipyridyl) Groups Bonded to Oligothiophenes: Effect on Electrochemical and Spectroscopic Properties","Journal of the American Chemical Society","2005","127","","6382","6393","10.1021/ja043573a","","","0.71073","MoKα","","0.0482","0.0318","","","0.0854","0.0914","","","","","","1.054","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111975","16.036","0.009","11.237","0.006","15.621","0.009","90","","93.755","0.009","90","","2809","3","223.2","","","","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C18 H33 Cu I Mo O4 P Ru S3 -","- C18 H33 Cu I Mo O4 P Ru S3 -","- C72 H132 Cu4 I4 Mo4 O16 P4 Ru4 S12 -","4","1","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0567","","","","0.1447","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112110","23.4007","0.0004","14.6593","0.0003","24.5593","0.0003","90","","106.901","0.001","90","","8060.9","0.2","150","1","150","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C45 H40 Cl2 N4 Ni O5 -","- C45 H40 Cl2 N4 Ni O5 -","- C360 H320 Cl16 N32 Ni8 O40 -","8","2","","Ewa Szajna; Atta M. Arif; Lisa M. Berreau","Aliphatic Carbon-Carbon Bond Cleavage Reactivity of a Mononuclear Ni(II)cis-β-Keto-Enolate Complex in the Presence of Base and O2: A Model Reaction for Acireductone Dioxygenase (ARD)","Journal of the American Chemical Society","2005","127","","17186","17187","10.1021/ja056346x","","","0.71073","MoKα","","0.0961","0.0665","","","0.1771","0.1999","","","","","","1.038","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112150","15.7","0.0001","8.993","0.0001","15.705","0.0002","90","","112.5","","90","","2048.6","0.04","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound 1","","","- C12 H34 Ag B11 -","- C12 H34 Ag B11 -","- C48 H136 Ag4 B44 -","4","1","","Adam J. Clarke; Michael J. Ingleson; Gabriele Kociok-Köhn; Mary F. Mahon; Nathan J. Patmore; Jonathan P. Rourke; Giuseppe D. Ruggiero; Andrew S. Weller","Silver-Phosphine Complexes of the Highly Methylated Carborane Monoanion [closo-1-H-CB11Me11]-","Journal of the American Chemical Society","2004","126","","1503","1517","10.1021/ja038173m","","","0.71073","MoKα","","0.0402","0.0337","","","0.0853","0.0895","","","","","","1.077","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112154","20.008","0.0005","12.283","0.0004","37.481","0.0011","90","","102.378","0.002","90","","8997.1","0.5","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H69 Ag B11 O2 P -","- C38 H69 Ag B11 O2 P -","- C304 H552 Ag8 B88 O16 P8 -","8","2","","Adam J. Clarke; Michael J. Ingleson; Gabriele Kociok-Köhn; Mary F. Mahon; Nathan J. Patmore; Jonathan P. Rourke; Giuseppe D. Ruggiero; Andrew S. Weller","Silver-Phosphine Complexes of the Highly Methylated Carborane Monoanion [closo-1-H-CB11Me11]-","Journal of the American Chemical Society","2004","126","","1503","1517","10.1021/ja038173m","","","0.71073","MoKα","","0.1718","0.0754","","","0.1464","0.1927","","","","","","1.041","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112172","16.576","0.003","11.509","0.004","17.059","0.002","90","","115.36","0.02","90","","2940.8","1.3","293","2","250","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H37 Li N4 O -","- C33 H37 Li N4 O -","- C132 H148 Li4 N16 O4 -","4","1","","Antonio Otero; Juan Fernández-Baeza; Antonio Antiñolo; Juan Tejeda; Agustín Lara-Sánchez; Luis Sánchez-Barba; Ana M. Rodríguez; Miguel A. Maestro","An Unprecedented Hybrid Scorpionate/Cyclopentadienyl Ligand","Journal of the American Chemical Society","2004","126","","1330","1331","10.1021/ja0391558","","","0.71073","MoKα","","0.3313","0.0745","","","0.1333","0.1996","","","","","","0.902","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112225","12.017","0.005","14.236","0.006","12.309","0.005","90","","104.661","0.005","90","","2037.2","1.5","223.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Shunichi Fukuzumi; Hiroaki Kotani; Kei Ohkubo; Seiji Ogo; Nikolai V. Tkachenko; Helge Lemmetyinen","Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion with a Much Longer Lifetime and Higher Energy Than That of the Natural Photosynthetic Reaction Center","Journal of the American Chemical Society","2004","126","","1600","1601","10.1021/ja038656q","","","0.7107","MoKα","","","0.0617","","","","0.1687","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112339","12.3513","0.0005","5.7088","0.0002","15.6453","0.0006","90","","111.935","0.001","90","","1023.31","0.07","250","","250","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0485","0.0421","","","0.1202","0.1263","","","","","","1.084","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112340","12.3207","0.0005","5.691","0.0002","15.5735","0.0006","90","","111.954","0.001","90","","1012.78","0.07","200","","200","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0477","0.0421","","","0.1194","0.1244","","","","","","1.102","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112341","12.2735","0.0006","5.6572","0.0003","15.4399","0.0007","90","","112.04","0.001","90","","993.71","0.08","90","","90","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0421","0.0395","","","0.1035","0.1059","","","","","","1.079","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112342","12.2933","0.0007","5.6612","0.0003","15.4447","0.0009","90","","112.103","0.001","90","","995.88","0.1","90","","90","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.042","0.0393","","","0.1055","0.1081","","","","","","1.098","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112343","12.2763","0.0004","5.6575","0.0002","15.4419","0.0006","90","","112.037","0.001","90","","994.13","0.06","90","","90","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0433","0.04","","","0.108","0.1107","","","","","","1.097","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112344","12.217","0.003","5.7999","0.0013","15.261","0.004","90","","112.447","0.004","90","","999.4","0.4","335","","335","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0552","0.0474","","","0.1373","0.1459","","","","","","1.098","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112345","12.1902","0.0013","5.7856","0.0006","15.2364","0.0016","90","","112.426","0.002","90","","993.32","0.18","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.05","0.0428","","","0.1269","0.1336","","","","","","1.11","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112346","12.1387","0.0006","5.7622","0.0003","15.1592","0.0008","90","","112.458","0.001","90","","979.9","0.09","250","","250","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0446","0.0398","","","0.1104","0.1145","","","","","","1.091","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112347","12.0949","0.0006","5.7366","0.0003","15.0923","0.0008","90","","112.456","0.001","90","","967.76","0.09","200","","200","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0423","0.0389","","","0.1077","0.1105","","","","","","1.085","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112348","12.0635","0.0005","5.7161","0.0003","15.0384","0.0007","90","","112.454","0.001","90","","958.37","0.08","150","","150","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0413","0.0386","","","0.1035","0.1056","","","","","","1.069","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112349","12.0291","0.0007","5.693","0.0003","14.9738","0.0009","90","","112.464","0.001","90","","947.62","0.09","90","","90","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0349","0.0328","","","0.0871","0.0888","","","","","","1.073","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112350","12.0365","0.0009","5.6958","0.0004","14.979","0.0011","90","","112.462","0.001","90","","949.01","0.12","90","","90","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0358","0.0336","","","0.0896","0.0913","","","","","","1.073","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112382","17.2867","0.0002","9.2357","0.0002","17.8766","0.0004","90","","115.65","0.001","90","","2572.83","0.09","273.2","","142","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H39 Cl P2 Si W -","- C23 H39 Cl P2 Si W -","- C92 H156 Cl4 P8 Si4 W4 -","4","1","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","0.0847","0.0517","","0.0664","0.0599","0.0599","","","","","","1.626","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112720","14.662","0.005","14.817","0.006","16.08","0.005","90","","94.063","0.03","90","","3485","2","","","20","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H61 Br2 Ni2 P4 -","- C26 H61 Br2 Ni2 P4 -","- C104 H244 Br8 Ni8 P16 -","4","1","","David A. Vicic; Thomas J. Anderson; John A. Cowan; Arthur J. Schultz","Synthesis, Structure, and Reactivity of a Dinuclear Metal Complex with Linear M-H-M Bonding","Journal of the American Chemical Society","2004","126","","8132","8133","10.1021/ja047956k","","neutron","","neutron","","","","","","","","","","1.39","","","","","","","has coordinates,has Fobs","178898","2020-10-21","18:00:00",""
"4112761","19.745","0.0015","16.541","0.002","20.034","0.003","90","","91.675","0.006","90","","6540.3","1.4","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","C60Me5Ph5O3(OH)2","","- C104 H46 Cl1.5 O4 -","- C104 H46 Cl1.5 O4 -","- C416 H184 Cl6 O16 -","4","1","","Yutaka Matsuo; Kazukuni Tahara; Masaya Sawamura; Eiichi Nakamura","Creation of Hoop- and Bowl-Shaped Benzenoid Systems by Selective Detraction of [60]Fullerene Conjugation. [10]Cyclophenacene and Fused Corannulene Derivatives","Journal of the American Chemical Society","2004","126","","8725","8734","10.1021/ja048683w","","x-ray","0.71073","MoKα","","0.2426","0.1447","","","0.3653","0.4266","","","","","","1.265","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112844","27.261","0.001","12.783","0.0004","28.343","0.001","90","","108.92","0.002","90","","9343.3","0.6","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C86 H128 N6 P4 Si8 Zr2 -","- C86 H128 N6 P4 Si8 Zr2 -","- C344 H512 N24 P16 Si32 Zr8 -","4","1","","Lara Morello; Jason B. Love; Brian O. Patrick; Michael D. Fryzuk","Carbon-Nitrogen Bond Formation via the Reaction of Terminal Alkynes with a Dinuclear Side-on Dinitrogen Complex","Journal of the American Chemical Society","2004","126","","9480","9481","10.1021/ja049490b","","","0.71069","MoKα","","0.1087","0.0503","","","0.0888","0.1025","","","","","","0.877","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112849","14.136","0.002","7.047","0.003","15.439","0.003","90","","90.434","0.013","90","","1537.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Claude Spino; Hadi Rezaei; Kristina Dupont-Gaudet; Francis Bélanger","Inter- and Intramolecular [4 + 1]-Cycloadditions Between Electron-Poor Dienes and Electron-Rich Carbenes","Journal of the American Chemical Society","2004","126","","9926","9927","10.1021/ja046344x","","","1.54056","CuKa","","0.1388","0.0858","","","0.2172","0.2509","","","","","","0.961","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112956","9.8578","0.0002","8.8632","0.0002","19.536","0.002","90","","90.691","0.003","90","","1706.77","0.18","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H16 O3 S -","- C20 H16 O3 S -","- C80 H64 O12 S4 -","4","1","","Kenichiro Itami; Masahiro Mineno; Nobuhiro Muraoka; Jun-ichi Yoshida","Sequential Assembly Strategy for Tetrasubstituted Olefin Synthesis Using Vinyl 2-Pyrimidyl Sulfide as a Platform","Journal of the American Chemical Society","2004","126","","11778","11779","10.1021/ja045858t","","","0.7107","MoKα","","","0.115","","","","0.131","","","","","","2.593","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113057","12.3806","0.0011","17.1783","0.0016","14.0018","0.0013","90","","94.535","0.002","90","","2968.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H48 Ir N O2 P2 -","- C30 H48 Ir N O2 P2 -","- C120 H192 Ir4 N4 O8 P8 -","4","1","","Xiawei Zhang; Mira Kanzelberger; Thomas J. Emge; Alan S. Goldman","Selective Addition to Iridium of Aryl C-H Bonds Ortho to Coordinating Groups. Not Chelation-Assisted","Journal of the American Chemical Society","2004","126","","13192","13193","10.1021/ja046476q","","","0.71073","MoKα","","0.0808","0.0452","","","0.097","0.111","","","","","","1.008","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113553","19.745","0.0015","16.541","0.002","20.034","0.003","90","","91.675","0.006","90","","6540.3","1.4","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","C60Me5Ph5O3(OH)2","","- C104 H46 Cl1.5 O4 -","- C104 H46 Cl1.5 O4 -","- C416 H184 Cl6 O16 -","4","1","","Eiichi Nakamura; Kazukuni Tahara; Yutaka Matsuo; Masaya Sawamura","Synthesis, Structure, and Aromaticity of a Hoop-Shaped Cyclic Benzenoid [10]Cyclophenacene","Journal of the American Chemical Society","2003","125","","2834","2835","10.1021/ja029915z","","x-ray","0.71073","MoKα","","0.2426","0.1447","","","0.3653","0.4266","","","","","","1.265","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113786","16.8292","0.0003","11.1616","0.0002","18.6043","0.0003","90","","101.781","0.0011","90","","3421.03","0.1","100","2","100","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C35 H30 Cl4 N2 O2 P2 Pt -","- C35 H30 Cl4 N2 O2 P2 Pt -","- C140 H120 Cl16 N8 O8 P8 Pt4 -","4","1","","Bernhard Breit; Wolfgang Seiche","Hydrogen Bonding as a Construction Element for Bidentate Donor Ligands in Homogeneous Catalysis: Regioselective Hydroformylation of Terminal Alkenes","Journal of the American Chemical Society","2003","125","","6608","6609","10.1021/ja0348997","","","0.71073","MoKα","","0.025","0.0205","","","0.0478","0.0496","","","","","","1.059","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113951","16.3301","0.0008","6.0079","0.0003","19.615","0.001","90","","107.257","0.001","90","","1837.79","0.16","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C23 H19 Cl O2 -","- C23 H19 Cl O2 -","- C92 H76 Cl4 O8 -","4","1","","Satoshi Matsumura; Yasunari Maeda; Takahiro Nishimura; Sakae Uemura","Palladium-Catalyzed Asymmetric Arylation, Vinylation, and Allenylation of tert-Cyclobutanols via Enantioselective C-C Bond Cleavage","Journal of the American Chemical Society","2003","125","","8862","8869","10.1021/ja035293l","","","0.7107","MoKα","","","0.036","","","","0.035","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114046","17.2666","0.0003","22.805","0.0004","19.3648","0.0002","90","","104.291","0.001","90","","7389.2","0.2","200","1","200","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C58 H110 I3 O0.5 P6 Pt3 -","- C57.9 H109.8 I3 O0.5 P6 Pt3 -","- C231.6 H439.2 I12 O2 P24 Pt12 -","4","1","","Yury K. Kryschenko; S. Russell Seidel; David C. Muddiman; Angelito I. Nepomuceno; Peter J. Stang","Coordination-Driven Self-Assembly of Supramolecular Cages: Heteroatom-Containing and Complementary Trigonal Prisms","Journal of the American Chemical Society","2003","125","","9647","9652","10.1021/ja030209n","","","0.71073","MoKα","","0.0753","0.0472","","","0.0987","0.1112","","","","","","1.014","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114048","17.7286","0.0004","15.9567","0.0005","30.9432","0.001","90","","101.233","0.002","90","","8585.8","0.4","200","1","200","1","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C59 H109 Cl2 F9 O10 P6 Pt3 S3 Si -","- C59 H107 Cl2 F9 O10 P6 Pt3 S3 Si -","- C236 H428 Cl8 F36 O40 P24 Pt12 S12 Si4 -","4","1","","Yury K. Kryschenko; S. Russell Seidel; David C. Muddiman; Angelito I. Nepomuceno; Peter J. Stang","Coordination-Driven Self-Assembly of Supramolecular Cages: Heteroatom-Containing and Complementary Trigonal Prisms","Journal of the American Chemical Society","2003","125","","9647","9652","10.1021/ja030209n","","","0.71073","MoKα","","0.1179","0.0749","","","0.1693","0.1897","","","","","","1.082","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114346","8.1904","0.0003","28.139","0.001","9.196","0.0004","90","","92.723","0.003","90","","2117.01","0.14","173.2","","173.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C48 H52 Si4 -","- C48 H52 Si4 -","- C96 H104 Si8 -","2","0.5","","Shigehiro Yamaguchi; Caihong Xu; Kohei Tamao","Bis-Silicon-Bridged Stilbene Homologues Synthesized by New Intramolecular Reductive Double Cyclization","Journal of the American Chemical Society","2003","125","","13662","13663","10.1021/ja038487+","","","0.7107","MoKα","","0.0481","0.0481","","","0.0701","0.0701","","","","","","1.223","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114713","9.108","0.002","18.09","0.003","9.526","0.001","90","","94.42","0.01","90","","1564.9","0.5","293","2","294","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C29 H44 Fe O P4 -","- C29 H44 Fe O P4 -","- C58 H88 Fe2 O2 P8 -","2","0.5","","Leslie D. Field; Anthony J. Turnbull; Peter Turner","Acetylide-Bridged Organometallic Oligomers via the Photochemical Metathesis of Methyl-Iron(II) Complexes","Journal of the American Chemical Society","2002","124","","3692","3702","10.1021/ja011105k","","","1.54178","CuKα","","0.1371","0.0658","","","0.1803","0.1962","","","","","","1.498","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114799","12.349","0.001","14.77","0.001","14.109","0.001","90","","103.62","0.004","90","","2501","0.3","113.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C17 H34 Cl N7 O8.5 P Zn -","- C17 H33 Cl N7 O8.5 P Zn -","- C68 H132 Cl4 N28 O34 P4 Zn4 -","4","1","","Shin Aoki; Kenta Iwaida; Noriko Hanamoto; Motoo Shiro; Eiichi Kimura","Guanidine Is a Zn2±Binding Ligand at Neutral pH in Aqueous Solution","Journal of the American Chemical Society","2002","124","","5256","5257","10.1021/ja020029y","","","0.7107","MoKα","","","0.0765","","","","0.1831","","","","","","1.184","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114974","8.0986","0.0001","5.4164","0.0003","13.8414","0.0005","90","","101.047","0.002","90","","595.91","0.04","203.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 Cl2 O4 -","- C10 H12 Cl2 O4 -","- C20 H24 Cl4 O8 -","2","0.5","","Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto","Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions","Journal of the American Chemical Society","2002","124","","8891","8902","10.1021/ja0205333","","","0.7107","MoKα","","","0.058","","","","0.126","","","","","","1.528","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114975","8.3045","0.0009","5.5002","0.0007","13.84","0.002","90","","95.622","0.008","90","","629.12","0.14","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 Br2 O4 -","- C10 H12 Br2 O4 -","- C20 H24 Br4 O8 -","2","0.5","","Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto","Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions","Journal of the American Chemical Society","2002","124","","8891","8902","10.1021/ja0205333","","","0.7107","MoKα","","","0.041","","","","0.071","","","","","","0.921","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114979","9.373","0.002","10.665","0.002","9.906","0.002","90","","112.54","0.02","90","","914.6","0.3","233.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H16 Cl2 O4 -","- C20 H16 Cl2 O4 -","- C40 H32 Cl4 O8 -","2","0.5","","Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto","Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions","Journal of the American Chemical Society","2002","124","","8891","8902","10.1021/ja0205333","","","0.7107","MoKα","","","0.042","","","","0.065","","","","","","0.821","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114989","12.32","0.01","16.69","0.01","8.076","0.003","90.04","0.05","94.64","0.05","90.11","0.07","1655.1","1.8","298","","","","","","","","","","Local laboratory","3","P 1 21/a 1","-P 2yab","14","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","","Ken Kokubo; Hiroshi Yamaguchi; Tatsuya Kawamoto; Takumi Oshima","Substituent Effects on the Stereochemistry in the [2 + 2] Photocycloaddition Reaction of Homobenzoquinone Derivative with Variously Substituted Alkenes and Alkynes","Journal of the American Chemical Society","2002","124","","8912","8921","10.1021/ja025593n","","","0.71073","MoK-alpha","","","0.054","","","0.057","","","","","1.215","1.215","","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4115052","9.8714","0.0007","11.905","0.001","13.335","0.001","90","","93.041","0.002","90","","1564.9","0.2","93.2","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C21 H24 -","- C21 H24 -","- C84 H96 -","4","1","","Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu","An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1","Journal of the American Chemical Society","2002","124","","10136","10145","10.1021/ja012363k","","","0.7107","MoKα","","","0.0687","","","","0.1031","","","","","","1.461","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115062","17.4292","0.0005","30.4333","0.0008","10.3567","0.0003","90","","90.1211","0.0009","90","","5493.5","0.3","93.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H28 F4 N4 -","- C36 H28 F4 N4 -","- C288 H224 F32 N32 -","8","2","","Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu","An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1","Journal of the American Chemical Society","2002","124","","10136","10145","10.1021/ja012363k","","","0.7107","MoKα","","","0.0594","","","","0.1134","","","","","","0.702","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115160","14.256","0.003","11.009","0.003","24.814","0.005","90","","106.28","0.04","90","","3738.3","1.7","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(3-fluorophtaloyl)-cis-1-aminocyclohexane-4-carboxylate tert-butyl perester","","- C19 H22 F N O5 -","- C19 H22 F N O5 -","- C152 H176 F8 N8 O40 -","8","2","","Sabrina Antonello; Marco Crisma; Fernando Formaggio; Alessandro Moretto; Ferdinando Taddei; Claudio Toniolo; Flavio Maran","Insights into the Free-Energy Dependence of Intramolecular Dissociative Electron Transfers","Journal of the American Chemical Society","2002","124","","11503","11513","10.1021/ja0263644","","","1.54178","CuKα","","0.0697","0.0649","","","0.1834","0.1877","","","","","","1.037","","","","has coordinates,has disorder","178922","2020-10-21","18:00:00",""
"4115277","16.063","0.002","16.375","0.002","5.6664","0.0009","90","","96.211","0.004","90","","1481.7","0.3","296.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Makoto Yasuda; Kay Hirata; Mitsuyoshi Nishino; Akihiro Yamamoto; Akio Baba","Diastereoselective Addition of γ-Substituted Allylic Nucleophiles to Ketones: Highly Stereoselective Synthesis of Tertiary Homoallylic Alcohols Using an Allylic Tributylstannane/Stannous Chloride System","Journal of the American Chemical Society","2002","124","","13442","13447","10.1021/ja0274047","","","0.7107","MoKα","","","0.0651","","","","0.1462","","","","","","2.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115673","18.1176","0.0014","9.5777","0.0011","25.2917","0.0007","90","","100.156","0.0007","90","","4320","0.6","180.2","","180.2","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C43 H46 Cl4 N2 O2 P2 Ru2 -","- C43 H46 Cl4 N2 O2 P2 Ru2 -","- C172 H184 Cl16 N8 O8 P8 Ru8 -","4","1","","Craig B. Pamplin; Erin S. F. Ma; Nasser Safari; Steven J. Rettig; Brian R. James","The Nitrous Oxide Complex, RuCl2(η1-N2O)(P-N)(PPh3) (P-N = [o-(N,N-Dimethylamino)phenyl]diphenylphosphine); Low Temperature Conversion of N2O to N2 and O2","Journal of the American Chemical Society","2001","123","","8596","8597","10.1021/ja0106319","","","0.7107","MoKα","","0.1525","0.055","","0.0984","","0.04","","","1.347","","","1.347","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115684","15.406","0.007","7.264","0.005","26.48","0.01","90","","95.23","0.05","90","","2951","3","157.2","","157.2","","","","","","","","synthetic","4","P 1 21/a 1","-P 2yab","14","","","","- C33 H33 N3 O9 -","- C33 H33 N3 O9 -","- C132 H132 N12 O36 -","4","1","","Dana L. Caulder; Christian Brückner; Ryan E. Powers; Stefan König; Tatjana N. Parac; Julie A. Leary; Kenneth N. Raymond","Design, Formation and Properties of Tetrahedral M4L4 and M4L6 Supramolecular Clusters1","Journal of the American Chemical Society","2001","123","","8923","8938","10.1021/ja0104507","","","0.7107","MoKα","","0.1964","0.0593","","0.098","","0.0605","","","","","","1.415","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115753","12.442","0.0008","5.7616","0.0004","15.8823","0.0011","90","","111.81","0.001","90","","1057.04","0.12","373","","373","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0706","0.0506","","","0.1534","0.1677","","","","","","1.078","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115754","12.4056","0.0007","5.7411","0.0003","15.7977","0.0008","90","","111.851","0.001","90","","1044.3","0.1","340","","340","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0642","0.049","","","0.1469","0.1592","","","","","","1.072","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115755","12.3803","0.0006","5.7259","0.0003","15.7236","0.0008","90","","111.895","0.001","90","","1034.22","0.09","300","","300","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0585","0.047","","","0.1394","0.1488","","","","","","1.098","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115756","12.2995","0.0006","5.6766","0.0003","15.5154","0.0007","90","","111.982","0.001","90","","1004.52","0.09","150","","150","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0431","0.0397","","","0.1082","0.111","","","","","","1.088","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115775","16.049","0.002","11.0619","0.0007","15.772","0.002","90","","117.132","0.004","90","","2491.9","0.5","296","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Pt2(EtCS2)4I2","","","- C12 H20 I2 Pt2 S8 -","- C12 H20 I2 Pt2 S8 -","- C48 H80 I8 Pt8 S32 -","4","1","","Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani","Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I","Journal of the American Chemical Society","2001","123","","11179","11192","10.1021/ja010900v","","","0.71069","MoKα","","","0.0332","","","0.0378","","","","","1.278","1.278","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115969","12.601","0.001","7.572","0.005","14.497","0.002","90","","102.83","0.03","90","","1348.7","0.9","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H28 Cl4 N4 O4 Pt -","- C22 H28 Cl4 N4 O4 Pt -","- C44 H56 Cl8 N8 O8 Pt2 -","2","0.5","","Gabriele Wagner; Armando J. L. Pombeiro; Vadim Yu. Kukushkin","Platinum(IV)-Assisted [2 + 3] Cycloaddition of Nitrones to Coordinated Organonitriles. Synthesis of Δ4-1,2,4-Oxadiazolines","Journal of the American Chemical Society","2000","122","","3106","3111","10.1021/ja993564f","","","0.71073","MoKα","","0.0288","0.0287","","","0.0755","0.0756","","","","","","1.155","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4116201","12.982","0.002","7.68","0.002","14.015","0.001","90","0","107.53","0.05","90","0","1332.4","0.6","295","","295","","","","","","","","......","4","P 1 21/a 1","-P 2yab","14","","3-[1-(4-Methoxyphenylamino) ethylidene]-6-methyl-3H-pyran-2,4-dione","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Paola Gilli; Valerio Bertolasi; Valeria Ferretti; Gastone Gilli","Evidence for Intramolecular N-H...O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation","Journal of the American Chemical Society","2000","122","","10405","10417","10.1021/ja000921+","","","0.71069","MoKα","","","0.046","","","","0.057","","","","","","1.79","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116202","12.999","0.002","7.547","0.001","13.974","0.002","90","","107.69","0.01","90","","1306.1","0.3","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-[1-(4-Methoxyphenylamino) ethylidene]-6-methyl-3H-pyran-2,4-dione","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Paola Gilli; Valerio Bertolasi; Valeria Ferretti; Gastone Gilli","Evidence for Intramolecular N-H...O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation","Journal of the American Chemical Society","2000","122","","10405","10417","10.1021/ja000921+","","","1.54178","CuKα","","0.0454","0.0436","","0.1246","0.1219","","","","1.11","1.119","1.119","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116208","6.727","0.002","21.286","0.003","7.99","0.001","90","0","113.7","0.02","90","0","1047.6","0.4","295","","295","","","","","","","","......","4","P 1 21/a 1","-P 2yab","14","","o-Acetoacetanisidide","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","","Paola Gilli; Valerio Bertolasi; Valeria Ferretti; Gastone Gilli","Evidence for Intramolecular N-H...O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation","Journal of the American Chemical Society","2000","122","","10405","10417","10.1021/ja000921+","","","0.71069","MoKα","","","0.042","","","","0.057","","","","","","1.92","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116427","16.072","0.001","7.538","0.001","32.914","0.002","90","","103.349","0.003","90","","3879.8","0.6","220","","220","","","","","","","","by syntheses","2","P 1 21/a 1","-P 2yab","14","","","","- C38 H30 -","- C38 H30 -","- C228 H180 -","6","1.5","","Paul F. van Hutten; Jurjen Wildeman; Auke Meetsma; Georges Hadziioannou","Molecular Packing in Unsubstituted Semiconducting Phenylenevinylene Oligomer and Polymer","Journal of the American Chemical Society","1999","121","","5910","5918","10.1021/ja990934r","","","0.71073","MoKα","","0.238","0.0917","","","0.2114","0.2632","","","","","","0.882","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116434","10.1123","0.0003","12.437","0.001","15.961","0.001","90","","104.98","0.01","90","","1939.1","0.2","183.2","","183.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","1","","John L. Wood; Alexandra A. Holubec; Brian M. Stoltz; Matthew M. Weiss; Julie A. Dixon; Brian D. Doan; Mohammed F. Shamji; Jennifer M. Chen; Timothy P. Heffron","Application of Reactive Enols in Synthesis: A Versatile, Efficient, and Stereoselective Construction of the Welwitindolinone Carbon Skeleton","Journal of the American Chemical Society","1999","121","","6326","6327","10.1021/ja991022s","","","0.7107","MoKalpha","","","0.0471","","","0.0648","","","","","2.556","2.556","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116562","13.483","0.003","11.304","0.004","16.667","0.002","90","","113.28","0.01","90","","2333.4","1","150.2","","150.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H40 Si5 -","- C16 H40 Si5 -","- C64 H160 Si20 -","4","1","","Mitsuo Kira; Shintaro Ishida; Takeaki Iwamoto; Chizuko Kabuto","The First Isolable Dialkylsilylene","Journal of the American Chemical Society","1999","121","","9722","9723","10.1021/ja9925305","","","0.7107","MoKα","","0.034","0.034","","","0.0359","0.0358","","","","","","2.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116617","10.98","0.01","4.862","0.002","17.72","0.01","90","","97.93","0.09","90","","936.9","1.1","210.2","","210.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 N O2 -","- C10 H12 N O2 -","- C40 H48 N4 O8 -","4","1","","Akikazu Matsumoto; Toru Odani; Masaaki Chikada; Kazuki Sada; Mikiji Miyata","Crystal-Lattice Controlled Photopolymerization of Di(benzylammonium) (Z,Z)-Muconates","Journal of the American Chemical Society","1999","121","","11122","11129","10.1021/ja992558g","","","0.7107","MoKα","","0.1149","0.1149","","","0.3131","0.3131","","","","","","1.226","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116619","8.614","0.002","13.731","0.004","8.795","0.003","90","","103.06","0.02","90","","1013.4","0.5","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H14 N O2 -","- C11 H14 N O2 -","- C44 H56 N4 O8 -","4","1","","Akikazu Matsumoto; Toru Odani; Masaaki Chikada; Kazuki Sada; Mikiji Miyata","Crystal-Lattice Controlled Photopolymerization of Di(benzylammonium) (Z,Z)-Muconates","Journal of the American Chemical Society","1999","121","","11122","11129","10.1021/ja992558g","","","0.7107","MoKα","","0.0444","0.0444","","","0.1263","0.1263","","","","","","1.159","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116620","8.594","0.0006","11.638","0.001","11.158","0.001","90","","110.433","0.002","90","","1045.77","0.15","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H14 N O3 -","- C11 H14 N O3 -","- C44 H56 N4 O12 -","4","1","","Akikazu Matsumoto; Toru Odani; Masaaki Chikada; Kazuki Sada; Mikiji Miyata","Crystal-Lattice Controlled Photopolymerization of Di(benzylammonium) (Z,Z)-Muconates","Journal of the American Chemical Society","1999","121","","11122","11129","10.1021/ja992558g","","","0.7107","MoKα","","0.0469","0.0469","","","0.1543","0.1543","","","","","","1.131","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116756","11.312","0.002","15.42","0.002","16.236","0.003","90","","101.33","0.01","90","","2776.9","0.8","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H30 I2 N6 -","- C24 H30 I2 N6 -","- C96 H120 I8 N24 -","4","1","","Aya Tanatani; Kentaro Yamaguchi; Isao Azumaya; Ryuuta Fukutomi; Koichi Shudo; Hiroyuki Kagechika","N-Methylated Diphenylguanidines: Conformations, Propeller-Type Molecular Chirality, and Construction of Water-Soluble Oligomers with Multilayered Aromatic Structures","Journal of the American Chemical Society","1998","120","","6433","6442","10.1021/ja9806534","","","1.5418","CuKα","","","0.0572","","","0.0573","","","","","2.67","2.67","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116768","7.0435","0.0018","12.459","0.003","12.4827","0.0019","90","","92.031","0.018","90","","1094.7","0.4","90","2","90","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(5-chloro-2-hydroxybenzylidene)-4-hydroxyaniline","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C52 H40 Cl4 N4 O8 -","4","1","","Keiichiro Ogawa; Yoshiro Kasahara; Yohko Ohtani; Jun Harada","Crystal Structure Change for the Thermochromy of N-Salicylideneanilines. The First Observation by X-ray Diffraction","Journal of the American Chemical Society","1998","120","","7107","7108","10.1021/ja980972v","","","0.71073","MoKα","","0.0751","0.0388","","","0.0967","0.1071","","","","","","1.057","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116769","7.0861","0.0016","12.518","0.002","12.485","0.002","90","","92.422","0.018","90","","1106.5","0.4","160","2","160","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(5-chloro-2-hydroxybenzylidene)-4-hydroxyaniline","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C52 H40 Cl4 N4 O8 -","4","1","","Keiichiro Ogawa; Yoshiro Kasahara; Yohko Ohtani; Jun Harada","Crystal Structure Change for the Thermochromy of N-Salicylideneanilines. The First Observation by X-ray Diffraction","Journal of the American Chemical Society","1998","120","","7107","7108","10.1021/ja980972v","","","0.71073","MoKα","","0.1071","0.0458","","","0.107","0.1237","","","","","","1.033","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116770","7.1194","0.0017","12.563","0.002","12.49","0.0019","90","","92.714","0.017","90","","1115.9","0.4","220","2","220","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(5-chloro-2-hydroxybenzylidene)-4-hydroxyaniline","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C52 H40 Cl4 N4 O8 -","4","1","","Keiichiro Ogawa; Yoshiro Kasahara; Yohko Ohtani; Jun Harada","Crystal Structure Change for the Thermochromy of N-Salicylideneanilines. The First Observation by X-ray Diffraction","Journal of the American Chemical Society","1998","120","","7107","7108","10.1021/ja980972v","","","0.71073","MoKα","","0.1321","0.0469","","","0.1134","0.1381","","","","","","0.996","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116771","7.1805","0.0004","12.6383","0.0012","12.5144","0.001","90","","93.184","0.007","90","","1133.92","0.15","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(5-chloro-2-hydroxybenzylidene)-4-hydroxyaniline","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C52 H40 Cl4 N4 O8 -","4","1","","Keiichiro Ogawa; Yoshiro Kasahara; Yohko Ohtani; Jun Harada","Crystal Structure Change for the Thermochromy of N-Salicylideneanilines. The First Observation by X-ray Diffraction","Journal of the American Chemical Society","1998","120","","7107","7108","10.1021/ja980972v","","","0.71073","MoKα","","0.1263","0.043","","","0.0991","0.126","","","","","","0.984","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116772","7.224","0.0003","12.6908","0.0008","12.5188","0.0007","90","","93.606","0.005","90","","1145.43","0.11","375","2","375","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(5-chloro-2-hydroxybenzylidene)-4-hydroxyaniline","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C52 H40 Cl4 N4 O8 -","4","1","","Keiichiro Ogawa; Yoshiro Kasahara; Yohko Ohtani; Jun Harada","Crystal Structure Change for the Thermochromy of N-Salicylideneanilines. The First Observation by X-ray Diffraction","Journal of the American Chemical Society","1998","120","","7107","7108","10.1021/ja980972v","","","0.71073","MoKα","","0.1571","0.0486","","","0.1116","0.1442","","","","","","0.991","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116815","9.521","0.003","24.608","0.007","10.137","0.002","90","","110.87","0.02","90","","2219.2","1.1","296","","296","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C8 H26 Cl N9 O12 Pt2 -","- C8 H24 Cl N9 O12 Pt2 -","- C32 H96 Cl4 N36 O48 Pt8 -","4","1","","Ken Sakai; Yuko Tanaka; Yuriko Tsuchiya; Kentaro Hirata; Taro Tsubomura; Seiichiro Iijima; Ashis Bhattacharjee","New Structural Aspects of α-Pyrrolidinonate- and α-Pyridonate-Bridged, Homo- and Mixed-Valence, Di- and Tetranuclear cis-Diammineplatinum Complexes: Eight New Crystal Structures, Stoichiometric 1:1 Mixture of Pt(2.25+)4 and Pt(2.5+)4, New Quasi-One-Dimensional Halide-Bridged [Pt(2.5+)4-Cl...]∞System, and Consideration of Solution Properties","Journal of the American Chemical Society","1998","120","","8366","8379","10.1021/ja980019q","","","0.71069","MoKα","","0.0885","0.0525","","0.0442","0.0411","","","","","1.72","1.72","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116886","18.18","0.003","11.754","0.002","11.214","0.002","90","","90.3","0.1","90","","2396.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Boc-[Hms(Ipr)]2-OMe","","","- C20 H34 N2 O9 -","- C20 H34 N2 O9 -","- C80 H136 N8 O36 -","4","1","","Wojciech M. Wolf; Marcin Stasiak; Miroslav T. Leplawy; Alberto Bianco; Fernando Formaggio; Marco Crisma; Claudio Toniolo","Destabilization of the 310-Helix in Peptides Based on Cα-Tetrasubstituted α-Amino Acids by Main-Chain to Side-Chain Hydrogen Bonds","Journal of the American Chemical Society","1998","120","","11558","11566","10.1021/ja982194c","","","0.71073","MoKα","","0.0965","0.0459","","0.1669","0.1358","","","","1.064","1.199","1.199","","","","","has coordinates,has disorder","178939","2020-10-21","18:00:00",""
"4116949","18.481","0.008","13.901","0.003","22.556","0.006","90","","111.8","0.03","90","","5380","3","288.2","","298","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C30 H68 Cl4 N13 O24 P Zn3 -","- C30 H64 Cl4 N13 O24 P Zn3 -","- C120 H256 Cl16 N52 O96 P4 Zn12 -","4","1","","Eiichi Kimura; Shin Aoki; Tohru Koike; Motoo Shiro","A Tris(ZnII-1,4,7,10-tetraazacyclododecane) Complex as a New Receptor for Phosphate Dianions in Aqueous Solution","Journal of the American Chemical Society","1997","119","","3068","3076","10.1021/ja9640408","","","0.7107","MoKα","","","0.0609","","","0.0955","","","","","1.612","1.612","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116970","18.645","0.005","17.896","0.003","19.338","0.003","90","","104.12","0.02","90","","6258","2","23","","23","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C69 H54 Cl2 Cr2 N4 O4 P4 -","- C272 Cr8 N16 O16 P16 -","- C272 Cr8 N16 O16 P16 -","","","","Kazushi Mashima; Mitsuhiro Tanaka; Kazuhide Tani; Akira Nakamura; Sadamu Takeda; Wasuke Mori; Kizashi Yamaguchi","Elongation of the Quadruple CrII-CrII Bond Induced by Two PtMe2 Moieties in the Linearly Aligned Tetrametal System, PtMe2...Cr-Cr...PtMe2","Journal of the American Chemical Society","1997","119","","4307","4308","10.1021/ja964052t","","","0.7107","MoKalpha","","","0.072","","","0.069","","","","","2.01","2.01","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117123","9.884","0.002","29.104","0.004","5.75","0.001","89.962","0.014","106.449","0.014","89.994","0.011","1586.4","0.5","293","","","","","","","","","","(+-)-1-phenylethylammonium p-chlorocinnamate 1a-7c","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H18 Cl N O2 -","- C17 H18 Cl N O2 -","- C68 H72 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0419","","","0.0429","","","","","7.6533","7.6533","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117127","32.088","0.005","6.219","0.001","7.225","0.001","90","0","92.609","0.014","90","0","1440.3","0.4","293","","","","","","","","","","(+-)-1-phenylethylammonium m-chlorobenzoate 1a-9f","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H16 Cl N O2 -","- C15 H16 Cl N O2 -","- C60 H64 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0539","","","0.0554","","","","","12.915","12.915","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117129","21.224","0.003","5.917","0.001","15.326","0.002","90","0","102.76","0.01","90","0","1877.1","0.5","293","","","","","","","","","","(+-)-1-phenylethylammonium 1,1-diphenylacetate 1a-10e","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0853","","","0.0792","","","","","15.764","15.764","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117179","17.732","0.001","7.0943","0.0007","20.284","0.003","90","","109.246","0.008","90","","2409","0.5","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H24 Co2 O7 -","- C22 H24 Co2 O7 -","- C88 H96 Co8 O28 -","4","1","","Judit Sóvágó; M. Gary Newton; Evgenia A. Mushina; Ferenc Ungváry","Intermediate Complexes in the Octacarbonyl Dicobalt-Initiated Living Polymerization of 3-Methyl-1,2-butadiene","Journal of the American Chemical Society","1996","118","","9589","9596","10.1021/ja9542404","","","1.5418","CuKalpha","","","0.0447","","","0.0448","","","","","2.827","2.827","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117430","11.687","0.004","7.864","0.003","31.44","0.01","90","","97.86","0.01","90","","2862.4","1.7","200","","200","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C27 H24 F12 Fe N2 P2 -","- C27 H24 F12 Fe N2 P2 -","- C108 H96 F48 Fe4 N8 P8 -","4","1","","Adriana Iordache; Mircea Oltean; Anne Milet; Fabrice Thomas; Benoît Baptiste; Eric Saint-Aman; Christophe Bucher","Redox Control of Rotary Motions in Ferrocene-Based Elemental Ball Bearings","Journal of the American Chemical Society","2012","134","","2653","2671","10.1021/ja209766e","","","0.71073","MoKα","","0.0513","0.0513","","0.0613","","0.0613","","","1.944","","","1.944","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117691","11.8764","0.0001","14.0585","0.0002","12.2947","0.0001","90","","104.283","0.0007","90","","1989.32","0.04","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Manabu Hoshino; Hidehiro Uekusa; Ayana Tomita; Shin-ya Koshihara; Tokushi Sato; Shunsuke Nozawa; Shin-ichi Adachi; Kei Ohkubo; Hiroaki Kotani; Shunichi Fukuzumi","Determination of the Structural Features of a Long-Lived Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion","Journal of the American Chemical Society","2012","134","","4569","4572","10.1021/ja300602h","","x-ray","0.71073","MoKα","","0.0444","0.0435","","","0.1181","0.1203","","","","","","1.151","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117692","11.874","0.0001","14.052","0.0001","12.293","0.0001","90","","104.246","0.0003","90","","1988.05","0.03","90","2","90","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Manabu Hoshino; Hidehiro Uekusa; Ayana Tomita; Shin-ya Koshihara; Tokushi Sato; Shunsuke Nozawa; Shin-ichi Adachi; Kei Ohkubo; Hiroaki Kotani; Shunichi Fukuzumi","Determination of the Structural Features of a Long-Lived Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion","Journal of the American Chemical Society","2012","134","","4569","4572","10.1021/ja300602h","","x-ray","0.6889","synchrotron","","0.0428","0.038","","","0.1138","0.1172","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117693","11.878","0.0001","14.057","0.0001","12.295","0.0001","90","","104.267","0.0003","90","","1989.57","0.03","90","2","90","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Manabu Hoshino; Hidehiro Uekusa; Ayana Tomita; Shin-ya Koshihara; Tokushi Sato; Shunsuke Nozawa; Shin-ichi Adachi; Kei Ohkubo; Hiroaki Kotani; Shunichi Fukuzumi","Determination of the Structural Features of a Long-Lived Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion","Journal of the American Chemical Society","2012","134","","4569","4572","10.1021/ja300602h","","x-ray","0.6889","synchrotron","","0.0438","0.039","","","0.1159","0.1196","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117696","11.874","0.0001","14.0576","0.0002","12.2949","0.0001","90","","104.285","0.0007","90","","1988.81","0.04","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Manabu Hoshino; Hidehiro Uekusa; Ayana Tomita; Shin-ya Koshihara; Tokushi Sato; Shunsuke Nozawa; Shin-ichi Adachi; Kei Ohkubo; Hiroaki Kotani; Shunichi Fukuzumi","Determination of the Structural Features of a Long-Lived Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion","Journal of the American Chemical Society","2012","134","","4569","4572","10.1021/ja300602h","","x-ray","0.71073","MoKα","","0.0441","0.0432","","","0.1176","0.1194","","","","","","1.153","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117732","13.2305","0.0017","5.5995","0.0006","23.802","0.003","90","","97.887","0.007","90","","1746.7","0.4","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C42 H48 O2 -","- C42 H48 O2 -","- C84 H96 O4 -","2","0.5","","Chikahiko Mitsui; Junshi Soeda; Kazumoto Miwa; Hayato Tsuji; Jun Takeya; Eiichi Nakamura","Naphtho[2,1-b:6,5-b']difuran: A Versatile Motif Available for Solution-Processed Single-Crystal Organic Field-Effect Transistors with High Hole Mobility","Journal of the American Chemical Society","2012","134","","5448","5451","10.1021/ja2120635","","","0.99622","","","0.2014","0.0536","","","0.1291","0.1458","","","","","","0.522","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117749","7.155","0.003","20.687","0.005","8.002","0.002","90","","96.52","0.03","90","","1176.8","0.6","198","2","198","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","0.71073","MoKα","","0.1362","0.0593","","","0.1188","0.1378","","","","","","0.965","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117918","9.0559","0.0014","21.526","0.003","9.1804","0.0015","90","","114.203","0.0016","90","","1632.3","0.4","243","2","243","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C6 H15 N4 O12 P3 Zn -","- C6 H15 N4 O12 P3 Zn -","- C24 H60 N16 O48 P12 Zn4 -","4","1","","Satoshi Horike; Daiki Umeyama; Munehiro Inukai; Tomoya Itakura; Susumu Kitagawa","Coordination-Network-Based Ionic Plastic Crystal for Anhydrous Proton Conductivity","Journal of the American Chemical Society","2012","134","","7612","7615","10.1021/ja301875x","","","0.71075","MoKα","","0.0477","0.0401","","","0.1179","0.1263","","","","","","0.943","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117919","9.009","0.002","21.83","0.005","9.235","0.002","90","","114.064","0.003","90","","1658.4","0.6","348","2","348","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C6 H15 N4 O12 P3 Zn -","- C6 H15 N4 O12 P3 Zn -","- C24 H60 N16 O48 P12 Zn4 -","4","1","","Satoshi Horike; Daiki Umeyama; Munehiro Inukai; Tomoya Itakura; Susumu Kitagawa","Coordination-Network-Based Ionic Plastic Crystal for Anhydrous Proton Conductivity","Journal of the American Chemical Society","2012","134","","7612","7615","10.1021/ja301875x","","","0.71075","MoKα","","0.1036","0.0675","","","0.1631","0.1915","","","","","","1.053","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4118031","13.411","0.005","21.868","0.008","16.401","0.006","90","","107.83","0.002","90","","4579","3","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H12 B Br3 S3 -","- C24 H12 B Br3 S3 -","- C192 H96 B8 Br24 S24 -","8","2","","Shohei Saito; Kyohei Matsuo; Shigehiro Yamaguchi","Polycyclic π-Electron System with Boron at Its Center","Journal of the American Chemical Society","2012","134","","9130","9133","10.1021/ja3036042","","","0.7107","MoKα","","0.1333","0.1206","","","0.2761","0.2849","","","","","","1.146","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118114","9.124","0.005","17.671","0.01","22.813","0.016","90","","94.6","0.05","90","","3666","4","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C35 H28 F12 N2 O5 -","- C35 H28 F12 N2 O5 -","- C140 H112 F48 N8 O20 -","4","1","","Kazutaka Shibatomi; Yoshinori Soga; Akira Narayama; Ikuhide Fujisawa; Seiji Iwasa","Highly Enantioselective Chlorination of β-Keto Esters and Subsequent SN2 Displacement of Tertiary Chlorides: A Flexible Method for the Construction of Quaternary Stereogenic Centers","Journal of the American Chemical Society","2012","134","","9836","9839","10.1021/ja304806j","","x-ray","0.71069","MoKα","","0.1006","0.0387","","","0.0868","0.1126","","","","","","1.012","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118762","14.135","0.003","4.137","0.0011","13.46","0.003","90","","97.14","0.03","90","","781","0.3","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Au N2 O2 S6 -","- C10 H10 Au N2 O2 S6 -","- C20 H20 Au2 N4 O4 S12 -","2","0.5","","Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes","Journal of the American Chemical Society","2012","134","","17138","17148","10.1021/ja3065649","","x-ray","0.71073","MoKα","","0.0648","0.0401","","","0.0986","0.121","","","","","","0.961","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118763","14.7952","0.0003","4.1628","0.0001","13.4493","0.0003","90","","95.717","0.008","90","","824.22","0.03","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Au N2 O2 S2 Se4 -","- C10 H10 Au N2 O2 S2 Se4 -","- C20 H20 Au2 N4 O4 S4 Se8 -","2","0.5","","Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes","Journal of the American Chemical Society","2012","134","","17138","17148","10.1021/ja3065649","","","0.71073","MoKα","","0.0929","0.0548","","","0.1283","0.1554","","","","","","1.074","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118764","14.5116","0.0005","4.0984","0.0003","14.3554","0.0005","90","","92.613","0.004","90","","852.89","0.08","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Au N2 S4 Se4 -","- C10 H10 Au N2 S4 Se4 -","- C20 H20 Au2 N4 S8 Se8 -","2","0.5","","Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes","Journal of the American Chemical Society","2012","134","","17138","17148","10.1021/ja3065649","","","0.71073","MoKα","","0.0272","0.0206","","","0.0393","0.041","","","","","","1.109","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118865","24.34","0.002","5.8369","0.0004","21.6277","0.0013","90","","95.706","0.005","90","","3057.4","0.4","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C40 H41 N -","- C40 H41 N -","- C160 H164 N4 -","4","1","","Toan V. Pho; Jonathan D. Yuen; Joshua A. Kurzman; Braden G. Smith; Maosheng Miao; Wesley T. Walker; Ram Seshadri; Fred Wudl","N-Alkyldinaphthocarbazoles, Azaheptacenes, for Solution-Processed Organic Field-Effect Transistors","Journal of the American Chemical Society","2012","134","","18185","18188","10.1021/ja3082582","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4119196","44.419","0.009","75.649","0.015","46.041","0.009","90","","113.05","0.03","90","","142358","6","90","2","90","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C2016 H1728 F483 N288 O57 P83 Pd48 -","- C2016 H1728 F483 N288 O57 P83 Pd48 -","- C4032 H3456 F966 N576 O114 P166 Pd96 -","2","0.5","","Yu Fang; Takashi Murase; Sota Sato; Makoto Fujita","Noncovalent Tailoring of the Binding Pocket of Self-Assembled Cages by Remote Bulky Ancillary Groups","Journal of the American Chemical Society","2013","135","","613","615","10.1021/ja311373f","","","0.85","synchrotron","","0.188","0.1638","","","0.4344","0.4531","","","","","","1.882","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119381","18.318","0.004","11.536","0.002","21.045","0.005","90","","95.183","0.004","90","","4429","1.6","123","2","123","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C49 H52 B O2 P3 Pd Si -","- C49 H52 B O2 P3 Pd Si -","- C196 H208 B4 O8 P12 Pd4 Si4 -","4","1","","Naohiro Kirai; Jun Takaya; Nobuharu Iwasawa","Two Reversible σ-Bond Metathesis Pathways for Boron-Palladium Bond Formation: Selective Synthesis of Isomeric Five-Coordinate Borylpalladium Complexes","Journal of the American Chemical Society","2013","135","","2493","2496","10.1021/ja400294m","","","0.71073","MoKα","","0.1602","0.0706","","","0.1296","0.1625","","","","","","0.945","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119997","14.553","0.004","14.752","0.003","17.366","0.004","90","","106.167","0.0008","90","","3580.8","1.5","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","6,13-Bis(1,8-dichloro-4,5-dimesityloxyanthr-9-yl)- 6,13-dihydro-6,13-diboraanthracene","","- C79 H65 B2 Cl13 O4 -","- C79 H65 B2 Cl13 O4 -","- C158 H130 B4 Cl26 O8 -","2","0.5","","Chuandong Dou; Shohei Saito; Shigehiro Yamaguchi","A Pentacoordinate Boron-Containing π-Electron System with Cl-B-Cl Three-Center Four-Electron Bonds","Journal of the American Chemical Society","2013","135","","9346","9349","10.1021/ja404724f","","","0.7107","MoKα","","0.0923","0.0839","","","0.2311","0.2393","","","","","","1.055","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4120132","11.7818","0.0015","7.7825","0.0009","19.417","0.002","90","","104.338","0.0005","90","","1724.9","0.3","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,5-Di(2-thienyl)-3,4-di(2-thiazolyl)thiophene","","- C18 H10 N2 S5 -","- C18 H10 N2 S5 -","- C72 H40 N8 S20 -","4","1","","Kazuhiko Nagura; Shohei Saito; Hitoshi Yusa; Hiroshi Yamawaki; Hiroshi Fujihisa; Hiroyasu Sato; Yuichi Shimoikeda; Shigehiro Yamaguchi","Distinct Responses to Mechanical Grinding and Hydrostatic Pressure in Luminescent Chromism of Tetrathiazolylthiophene","Journal of the American Chemical Society","2013","135","","10322","10325","10.1021/ja4055228","","","0.7107","MoKα","","0.0249","0.0238","","","0.0583","0.0591","","","","","","1.081","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120542","9.7344","0.0017","16.996","0.002","12.836","0.003","90","","110.84","0.02","90","","1984.7","0.7","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[(L1)Cu(NHSO2Ph)]","","","- C20 H24 Cu N3 O3 S -","- C20 H24 Cu N3 O3 S -","- C80 H96 Cu4 N12 O12 S4 -","4","1","","Tran, Ba L.; Li, Bijie; Driess, Matthias; Hartwig, John F.","Copper-catalyzed intermolecular amidation and imidation of unactivated alkanes.","Journal of the American Chemical Society","2014","136","6","2555","2563","10.1021/ja411912p","","x-ray","0.71073","MoKα","","0.1193","0.084","","","0.1589","0.1759","","","","","","1.172","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120680","16.9057","0.0006","10.5686","0.0004","21.5417","0.001","90","","101.02","0.0017","90","","3777.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H58 Ge O4 Si3 W -","- C32 H58 Ge O4 Si3 W -","- C128 H232 Ge4 O16 Si12 W4 -","4","1","","Fukuda, Tetsuya; Hashimoto, Hisako; Tobita, Hiromi","Reactions of a Tungsten-Germylyne Complex with α,β-Unsaturated Ketones: Complete Cleavage of the W≡Ge Bond and Formation of Two Types of η(3)-Germoxyallyl Tungsten Complexes.","Journal of the American Chemical Society","2014","136","1","80","83","10.1021/ja4109853","","","0.71069","MoKα","","0.0585","0.0481","","","0.0994","0.111","","","","","","1.264","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4121079","13.0739","0.0008","11.0098","0.0007","15.4761","0.0009","90","","95.3709","0.0018","90","","2217.9","0.2","173","","173","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C30 H36 -","- C30 H36 -","- C120 H144 -","4","1","","Koji Yamamoto; Naohiro Oyamada; Sheng Xia; Yuta Kobayashi; Masahiko Yamaguchi; Hiroaki Maeda; Hiroshi Nishihara; Tadafumi Uchimaru; Eunsang Kwon","Equatorenes: Synthesis and Properties of Chiral Naphthalene, Phenanthrene, Chrysene, and Pyrene Possessing Bis(1-adamantyl) Groups at the Peri-position","Journal of the American Chemical Society","2013","135","","16526","16532","10.1021/ja407800e","","","0.71075","","","0.1222","0.0716","","","0.1776","0.2659","","","","","","1.104","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121083","10.4189","0.001","35.829","0.003","13.6768","0.0014","90","","90.679","0.003","90","","5105.2","0.8","173","","173","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C35 H40 O2 -","- C35 H39.5 O2 -","- C280 H316 O16 -","8","2","","Koji Yamamoto; Naohiro Oyamada; Sheng Xia; Yuta Kobayashi; Masahiko Yamaguchi; Hiroaki Maeda; Hiroshi Nishihara; Tadafumi Uchimaru; Eunsang Kwon","Equatorenes: Synthesis and Properties of Chiral Naphthalene, Phenanthrene, Chrysene, and Pyrene Possessing Bis(1-adamantyl) Groups at the Peri-position","Journal of the American Chemical Society","2013","135","","16526","16532","10.1021/ja407800e","","","0.71075","","","0.1782","0.0898","","","0.2159","0.2711","","","","","","1.046","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121386","7.71","0.003","5.872","0.003","20.638","0.01","90","","98.296","0.007","90","","924.6","0.7","93","","93","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C30 H20 -","- C30 H20 -","- C60 H40 -","2","0.5","","Yuji Yamaguchi; Keisuke Ogawa; Ken-ichi Nakayama; Yoshihiro Ohba; Hiroshi Katagiri","Terazulene: A High-Performance n-Type Organic Field-Effect Transistor Based on Molecular Orbital Distribution Control","Journal of the American Chemical Society","2013","135","","19095","19098","10.1021/ja410696j","","","0.71075","MoKα","","0.0946","0.07","","","0.1428","0.1569","","","","","","1.157","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121904","13.1354","0.0002","15.4508","0.0003","15.3363","0.0003","90","","90.3769","0.0012","90","","3112.47","0.1","150","1","150","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C31 H28 Cl4 Cu N4 O4 -","- C31 H28 Cl4 Cu N4 O4 -","- C124 H112 Cl16 Cu4 N16 O16 -","4","1","","Allpress, Caleb J.; Miłaczewska, Anna; Borowski, Tomasz; Bennett, Jami R.; Tierney, David L.; Arif, Atta M.; Berreau, Lisa M.","Halide-Promoted Dioxygenolysis of a Carbon-Carbon Bond by a Copper(II) Diketonate Complex.","Journal of the American Chemical Society","2014","136","22","7821","","10.1021/ja502577b","","","0.71073","MoKα","","0.0631","0.0394","","","0.097","0.1098","","","","","","1.017","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121966","13.4376","0.0017","24.237","0.003","15.0417","0.0018","90","","93.186","0.002","90","","4891.3","1","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","cmpd5a","","","- C44 H64 O4 S4 Si4 -","- C44 H64 O4 S4 Si4 -","- C176 H256 O16 S16 Si16 -","4","1","","Fukazawa, Aiko; Oshima, Hiroya; Shimizu, Soji; Kobayashi, Nagao; Yamaguchi, Shigehiro","Dearomatization-induced transannular cyclization: synthesis of electron-accepting thiophene-s,s-dioxide-fused biphenylene.","Journal of the American Chemical Society","2014","136","24","8738","8745","10.1021/ja503499n","","","0.7107","MoKα","","0.0502","0.0452","","","0.1147","0.1186","","","","","","1.063","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121969","13.746","0.005","12.472","0.004","14.807","0.005","90","","93.306","0.005","90","","2534.3","1.5","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","cmpd3","","","- C44 H64 O8 S4 Si4 -","- C44 H64 O8 S4 Si4 -","- C88 H128 O16 S8 Si8 -","2","0.5","","Fukazawa, Aiko; Oshima, Hiroya; Shimizu, Soji; Kobayashi, Nagao; Yamaguchi, Shigehiro","Dearomatization-induced transannular cyclization: synthesis of electron-accepting thiophene-s,s-dioxide-fused biphenylene.","Journal of the American Chemical Society","2014","136","24","8738","8745","10.1021/ja503499n","","","0.7107","MoKα","","0.1297","0.0872","","","0.2207","0.2736","","","","","","1.178","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4122726","16.7596","0.0005","9.4706","0.0003","17.3328","0.0005","90","","95.1602","0.001","90","","2739.97","0.14","140","2","140","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C24 H35 Cl Ge N2 O3 W -","- C24 H35 Cl Ge N2 O3 W -","- C96 H140 Cl4 Ge4 N8 O12 W4 -","4","1","","Inomata, Koya; Watanabe, Takahito; Tobita, Hiromi","Cationic Metallogermylene and Dicationic Dimetallodigermenes: Synthesis by Chloride Abstraction from N-Heterocyclic Carbene-Stabilized Chlorometallogermylenes.","Journal of the American Chemical Society","2014","136","41","14341","","10.1021/ja506018f","","","0.71073","MoKα","","0.068","0.0544","","","0.1272","0.1358","","","","","","1.197","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122727","15.1009","0.0011","8.6137","0.0006","18.7415","0.0013","90","","110.979","0.0014","90","","2276.2","0.3","140","2","140","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C20 H27 Cl Ge N2 O3 W -","- C20 H27 Cl Ge N2 O3 W -","- C80 H108 Cl4 Ge4 N8 O12 W4 -","4","1","","Inomata, Koya; Watanabe, Takahito; Tobita, Hiromi","Cationic Metallogermylene and Dicationic Dimetallodigermenes: Synthesis by Chloride Abstraction from N-Heterocyclic Carbene-Stabilized Chlorometallogermylenes.","Journal of the American Chemical Society","2014","136","41","14341","","10.1021/ja506018f","","","0.71073","MoKα","","0.0795","0.0668","","","0.1564","0.1633","","","","","","1.133","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4123433","15.8781","0.0018","8.5321","0.0007","18.168","0.002","90","","110.629","0.005","90","","2303.5","0.4","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H19 N O4 S2 -","- C28 H19 N O4 S2 -","- C112 H76 N4 O16 S8 -","4","1","","Kawakami, Takahiro; Murakami, Kei; Itami, Kenichiro","Catalytic C-h imidation of aromatic cores of functional molecules: ligand-accelerated cu catalysis and application to materials- and biology-oriented aromatics.","Journal of the American Chemical Society","2015","137","7","2460","2463","10.1021/ja5130012","","","0.71075","MoKα","","0.1052","0.0866","","","0.1959","0.2076","","","","","","1.084","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123637","12.2783","0.0018","6.565","0.0007","13.424","0.002","90","","112.714","0.017","90","","998.1","0.3","293","2","293","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C14 H18 -","- C14 H18 -","- C56 H72 -","4","1","","Zhuk, Tatyana S.; Koso, Tatyana; Pashenko, Alexander E.; Hoc, Ngo Trung; Rodionov, Vladimir N.; Serafin, Michael; Schreiner, Peter R.; Fokin, Andrey A.","Toward an Understanding of Diamond sp(2)-Defects with Unsaturated Diamondoid Oligomer Models.","Journal of the American Chemical Society","2015","137","20","6577","6586","10.1021/jacs.5b01555","","","0.71073","MoKα","","0.1088","0.055","","","0.1425","0.1676","","","","","","0.902","","","","has coordinates","138229","2020-10-21","18:00:00",""
"4123956","7.969","","7.57","","8.536","","90","","93.03","","90","","514.217","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","Ge5 F12","","- F12 Ge5 -","- F12 Ge5 -","- F24 Ge10 -","2","0.5","","Taylor, J.C.; Wilson, P.W.","Structures of fluorides. III. The structure of the mixedvalence fluoride Ge5 F12","Journal of the American Chemical Society","1973","95","","1834","1838","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124450","8.315","","8.384","","10.031","","90","","101.63","","90","","684.934","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","K F (H F)2.5","","- F3.5 H2.5 K -","- F3.5 H2.5 K -","- F28 H20 K8 -","8","2","","Mootz, D.; Boenigk, D.","Fluorides and fluoro acids. 12. Complex-anion homology and isomerism in the crystal structures of two potassium poly(hydrogen fluorides), K F (H F)2.5 and K F (H F)3","Journal of the American Chemical Society","1986","108","","6634","6636","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4125010","17.8585","0.0001","43.5512","0.0002","19.1937","0.0001","90","","117.11","0.0003","90","","13288","0.12","150","","150","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C55 H77 B2 K N5 Sn -","- C55 H77 B2 K N5 Sn -","- C440 H616 B16 K8 N40 Sn8 -","8","2","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","0.71073","MoKα","","0.0941","0.0576","","0.1812","0.1433","0.1812","","","","","","0.9674","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125028","8.3686","0.0004","25.6303","0.0012","9.8925","0.0004","90","","90.036","0.003","90","","2121.84","0.17","90","2","90","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","TerarylB2O4-1","","- C30 H16 B2 O4 -","- C30 H16 B2 O4 -","- C120 H64 B8 O16 -","4","1","","Katayama, Takazumi; Nakatsuka, Soichiro; Hirai, Hiroki; Yasuda, Nobuhiro; Kumar, Jatish; Kawai, Tsuyoshi; Hatakeyama, Takuji","Two-Step Synthesis of Boron-Fused Double Helicenes.","Journal of the American Chemical Society","2016","138","16","5210","5213","10.1021/jacs.6b01674","","","0.78202","synchrotron","","0.0537","0.0342","","","0.0789","0.095","","","","","","1.062","","","","has coordinates","182500","2020-10-21","18:00:00",""
"4127169","11.6502","0.0014","9.0241","0.0011","21.473","0.003","90","","103.373","0.007","90","","2196.3","0.5","150","","150","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H22 F3 N O S2 -","- C25 H22 F3 N O S2 -","- C100 H88 F12 N4 O4 S8 -","4","1","","Li, Feng; Korenaga, Toshinobu; Nakanishi, Taishi; Kikuchi, Jun; Terada, Masahiro","Chiral Phosphoric Acid Catalyzed Enantioselective Ring Expansion Reaction of 1,3-Dithiane Derivatives: Case Study of the Nature of Ion-Pairing Interaction.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13274","","","0.71075","MoKα","","0.0566","0.0489","","","0.1058","0.1098","","","","","","1.087","","","","has coordinates","206273","2020-10-21","18:00:00",""
"4127379","9.291","0.001","11.504","0.0015","10.88","0.001","90","","104.696","0.007","90","","1124.9","0.2","296","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 N6 Pt S4 -","- C18 H16 N6 Pt S4 -","- C36 H32 N12 Pt2 S8 -","2","0.5","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.55981","Synchrotron(SPring-8BL02B1)","","","0.0625","","","","0.1904","","","","","","1.149","","","","has coordinates","220657","2020-10-21","18:00:00",""
"4127383","9.116","0.0007","11.69","0.0009","10.82","0.0005","90","","104.803","0.004","90","","1114.78","0.13","296.1","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 N6 Pd S4 -","- C18 H16 N6 Pd S4 -","- C36 H32 N12 Pd2 S8 -","2","0.5","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.55981","Synchrotron(SPring-8BL02B1)","","","0.0472","","","","0.1398","","","","","","1.131","","","","has coordinates","220661","2020-10-21","18:00:00",""
"4127647","8.85","0.004","8.9262","0.0008","25.07","0.001","90","","96.474","0.011","90","","1967.8","0.9","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H32 I10 N4 Pb3 -","- C8 H32 I10 N4 Pb3 -","- C16 H64 I20 N8 Pb6 -","2","0.5","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.1256","0.0863","","","0.1802","0.182","","","","4.04","4.04","3.23","","","","has coordinates","220853","2020-10-21","18:00:00",""
"4129599","11.7972","0.0004","28.2682","0.0008","13.0939","0.0004","90","","99.384","0.003","90","","4308.2","0.2","100","2","100.15","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C43 H40 I2 N Ni O P -","- C43 H40 I2 N Ni O P -","- C172 H160 I8 N4 Ni4 O4 P4 -","4","1","","Ölscher, Franz; Göttker-Schnetmann, Inigo; Monteil, Vincent; Mecking, Stefan","Role of Radical Species in Salicylaldiminato Ni(II) Mediated Polymer Chain Growth: A Case Study for the Migratory Insertion Polymerization of Ethylene in the Presence of Methyl Methacrylate.","Journal of the American Chemical Society","2015","137","46","14819","14828","10.1021/jacs.5b08612","","","0.71073","MoKα","","0.0281","0.0237","","","0.0529","0.0543","","","","","","1.036","","","","has coordinates","240290","2020-10-21","18:00:00",""
"4130882","18.8532","0.001","10.5063","0.0006","19.8505","0.0014","90","","93.844","0.005","90","","3923.1","0.4","160","1","160","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C47 H58 Au N -","- C47 H58 Au N -","- C188 H232 Au4 N4 -","4","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","x-ray","0.71073","MoKα","","0.0996","0.0608","","","0.1307","0.1529","","","","","","1.025","","","","has coordinates,has disorder","241240","2020-10-21","18:00:00",""
"4131213","9.7545","0.0017","24.247","0.004","16.831","0.003","90","","96.034","0.002","90","","3958.8","1.2","173","2","173","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C54 H114 Si14 -","- C54 H114 Si14 -","- C108 H228 Si28 -","2","0.5","","Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki","Pentasila-1,4-diene: Homoconjugation between Si═Si Double Bonds via a SiMe(2) Unit.","Journal of the American Chemical Society","2017","139","1","99","102","10.1021/jacs.6b11912","","","0.71073","MoKα","","0.0805","0.0672","","","0.1797","0.1867","","","","","","1.064","","","","has coordinates","241476","2020-10-21","18:00:00",""
"4131226","22.639","0.002","11.4146","0.0011","40.733","0.003","90","","91.374","0.003","90","","10523","1.6","93","","93","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","pillar[5]-quinone_hexane","","","- C57 H74 O10 -","- C57 H74 O10 -","- C456 H592 O80 -","8","2","","Ogoshi, Tomoki; Shimada, Yasuo; Sakata, Yoko; Akine, Shigehisa; Yamagishi, Tada-Aki","Alkane-Shape-Selective Vapochromic Behavior Based on Crystal-State Host-Guest Complexation of Pillar[5]arene Containing One Benzoquinone Unit.","Journal of the American Chemical Society","2017","139","16","5664","5667","10.1021/jacs.7b00631","","","0.71073","MoKα","","0.0918","0.0658","","","0.1586","0.1823","","","","","","1.071","","","","has coordinates,has disorder","241481","2020-10-21","18:00:00",""
"4131277","15.6604","0.0007","15.4147","0.0007","17.6596","0.0007","90","","100.425","0.004","90","","4192.7","0.3","123","2","123","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C42 H36 Cl3 Ga N4 O P2 Pd -","- C42 H36 Cl3 Ga N4 O P2 Pd -","- C168 H144 Cl12 Ga4 N16 O4 P8 Pd4 -","4","1","","Takaya, Jun; Iwasawa, Nobuharu","Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO<sub>2</sub>.","Journal of the American Chemical Society","2017","139","17","6074","6077","10.1021/jacs.7b02553","","","0.71073","MoKα","","0.0874","0.0509","","","0.1292","0.1536","","","","","","1.083","","","","has coordinates","241512","2020-10-21","18:00:00",""
"4131278","15.37","0.0003","18.6633","0.0004","17.1449","0.0003","90","","105.464","0.002","90","","4740.05","0.17","123","2","123","2","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C45 H47 Cl3 In N3 O3 P2 Pd S3 -","- C45 H47 Cl3 In N3 O3 P2 Pd S3 -","- C180 H188 Cl12 In4 N12 O12 P8 Pd4 S12 -","4","1","","Takaya, Jun; Iwasawa, Nobuharu","Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO<sub>2</sub>.","Journal of the American Chemical Society","2017","139","17","6074","6077","10.1021/jacs.7b02553","","","0.71073","MoKα","","0.064","0.0469","","","0.1421","0.154","","","","","","1.09","","","","has coordinates","241512","2020-10-21","18:00:00",""
"4131433","24.865","0.0007","43.9807","0.0009","11.0806","0.0003","90","","122.244","0.004","90","","10248.8","0.6","150","","150","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","{MeC(NC6H3iPrCH(Me)CH2)CHC(Me)(NCH2CH2NMe}Sc{NHB(NDippCH)2}","","- C47 H70 B N6 Sc -","- C47 H70 B N6 Sc -","- C376 H560 B8 N48 Sc8 -","8","2","","Clough, Benjamin A.; Mellino, Simona; Clot, Eric; Mountford, Philip","New Scandium Borylimido Chemistry: Synthesis, Bonding, and Reactivity.","Journal of the American Chemical Society","2017","139","32","11165","11183","10.1021/jacs.7b05405","","","1.5418","CuKα","","0.0852","0.0781","","0.0773","0.0755","0.0746","","","","","","1.045","","","","has coordinates,has disorder","241634","2020-10-21","18:00:00",""
"4135599","10.5521","0.0008","24.7884","0.0016","16.8422","0.0013","90","","107.729","0.0015","90","","4196.2","0.5","113","2","113","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H26 Si -","- C27 H26 Si -","- C216 H208 Si8 -","8","2","","Tsuda, Tomohiro; Choi, Seung-Min; Shintani, Ryo","Palladium-Catalyzed Synthesis of Dibenzosilepin Derivatives via 1,<i>n</i>-Palladium Migration Coupled with <i>anti</i>-Carbopalladation of Alkyne.","Journal of the American Chemical Society","2021","143","3","1641","1650","10.1021/jacs.0c12453","","","0.71075","MoKα","","0.05","0.0369","","","0.0974","0.1025","","","","","","1.044","","","","has coordinates","261470","2021-02-04","00:51:17",""
"4300450","11.777","0.002","22.315","0.004","12.774","0.002","90","","94.287","0.009","90","","3347.7","1","296.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C31 H52 N6 -","- C31 H52 N6 -","- C124 H208 N24 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051290t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4300566","24.929","0.002","7.279","0.002","28.863","0.002","90","0.02","115.82","0.02","90","0.03","4714.6","1.4","153","2","153","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C24 H22 Cl N6 O4 Rh -","- C24 Cl N6 O4 Rh -","- C192 Cl8 N48 O32 Rh8 -","8","2","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0515498","","","","","","","0.1566","","","0.4335","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300597","12.1","0.005","18.793","0.004","13.899","0.007","90","","103.19","0.02","90","","3077","2","293","2","293","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C24 H38 B F4 Fe N8 O4 S2 -","- C24 H34 B F4 Fe N8 O4 S2 -","- C96 H136 B4 F16 Fe4 N32 O16 S8 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic060100r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179043","2020-10-21","18:00:00",""
"4300778","21.631","0.006","12.0258","0.0017","21.892","0.004","90","","95.85","0.02","90","","5665","2","295","","295","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C10 H24 Cs3 K3 O44 P Ru W11 -","- C10 Cs3 K3 O44 P Ru W11 -","- C40 Cs12 K12 O176 P4 Ru4 W44 -","4","1","","Artero, V.; Laurencin, D.; Villanneau, R.; Thouvenot, R.; Herson, P.; Gouzerh, P.; Proust, A.","Synthesis, Characterization, and Photochemical Behavior of {Ru(arene)}2+Derivatives of α-[PW11O39]7-: An Organometallic Way to Ruthenium-Substituted Heteropolytungstates","Inorganic Chemistry","2005","44","8","2826","2835","10.1021/ic0482180","","","0.71073","MoKα","","0.1668","0.082","","0.179","0.0914","0.0914","","","","","","1.0958","","","","has coordinates","210162","2020-10-21","18:00:00",""
"4300898","15.403","0.0019","13.6135","0.0016","17.4","0.002","90","","103.251","0.002","90","","3551.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C35 H27 Cd N8 O13 -","- C35 H27 Cd N8 O13 -","- C140 H108 Cd4 N32 O52 -","4","1","","Xing-Qiang Lü; Ji-Jun Jiang; Hans-Conrad zur Loye; Bei-Sheng Kang; Cheng-Yong Su","A Noninterpenetrated 1D Molecular Ladder and 2D Butterfly Network: Effect of Positional Isomerism of Semirigid Bis(pyridylmethyl)pyromellitic Diimide Ligands on the Architecture of Their Metal(II) Complexes","Inorganic Chemistry","2005","44","","1810","1817","10.1021/ic048634k","","","0.71073","MoKα","","0.0718","0.0393","","","0.0872","0.1018","","","","","","1.038","","","","has coordinates,has disorder","179046","2020-10-21","18:00:00",""
"4300899","15.361","0.004","13.388","0.004","17.105","0.005","90","","103.427","0.005","90","","3421.5","1.7","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C34 H26 N8 O13 Zn -","- C34 H21 N8 O13 Zn -","- C136 H84 N32 O52 Zn4 -","4","1","","Xing-Qiang Lü; Ji-Jun Jiang; Hans-Conrad zur Loye; Bei-Sheng Kang; Cheng-Yong Su","A Noninterpenetrated 1D Molecular Ladder and 2D Butterfly Network: Effect of Positional Isomerism of Semirigid Bis(pyridylmethyl)pyromellitic Diimide Ligands on the Architecture of Their Metal(II) Complexes","Inorganic Chemistry","2005","44","","1810","1817","10.1021/ic048634k","","","0.71073","MoKα","","0.0722","0.0409","","","0.0996","0.1182","","","","","","1.007","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4301432","7.9468","0.0006","23.0945","0.0016","16.5554","0.0011","90","","100.889","0.001","90","","2983.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C27.5 H17.5 Cu4 N11.5 O2 -","- C27.5 H17.5 Cu4 N11.5 O2 -","- C110 H70 Cu16 N46 O8 -","4","1","","Wen-Xiu Ni; Mian Li; Shun-Ze Zhan; Jin-Zhang Hou; Dan Li","In Situ Immobilization of Metalloligands: A Synthetic Route to Homometallic Mixed-Valence Coordination Polymers","Inorganic Chemistry","2009","48","","1433","1441","10.1021/ic8015244","","","0.71073","MoKα","","0.0996","0.0517","","","0.1308","0.1687","","","","","","1.004","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4301540","16.1833","0.0003","5.2291","0.0001","37.1827","0.001","90","","100.777","0.0014","90","","3091.05","0.12","125","2","125","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C152 H128 N16 O16 -","8","2","","Sipke H. Wadman; Martin Lutz; Duncan M. Tooke; Anthony L. Spek; František Hartl; Remco W. A. Havenith; Gerard P. M. van Klink; Gerard van Koten","Consequences of N,C,N'- and C,N,N'-Coordination Modes on Electronic and Photophysical Properties of Cyclometalated Aryl Ruthenium(II) Complexes","Inorganic Chemistry","2009","48","","1887","1900","10.1021/ic801595m","","","0.71073","MoKα","","0.1091","0.0648","","","0.1493","0.1742","","","","","","1.031","","","","has coordinates,has disorder","179053","2020-10-21","18:00:00",""
"4301702","10.4436","0.0011","24.042","0.002","11.3862","0.0011","90","","111.591","0.002","90","","2658.3","0.4","153","2","153","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C56 H86 Ir2 Si2 Zr2 -","- C56 H4 Ir2 Si2 Zr2 -","- C112 H8 Ir4 Si4 Zr4 -","2","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","","0.0436","0.0342","","","0.0853","0.0904","","","","","","1.066","","","","has coordinates","179055","2020-10-21","18:00:00",""
"4302466","12.0663","0.0004","14.9246","0.0004","13.9308","0.0004","90","","106.76","0.003","90","","2402.16","0.13","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C44 H60 N12 Ni4 O12 -","- C44 H60 N12 Ni4 O12 -","- C88 H120 N24 Ni8 O24 -","2","0.5","","Pampa Mukherjee; Michael G. B. Drew; Carlos J. Gómez-García; Ashutosh Ghosh","The Crucial Role of Polyatomic Anions in Molecular Architecture: Structural And Magnetic Versatility of Five Nickel(II) Complexes Derived from A N,N,O-Donor Schiff Base Ligand","Inorganic Chemistry","2009","48","","5848","5860","10.1021/ic9001863","","","0.71073","MoKα","","0.0818","0.0446","","","0.0964","0.1084","","","","","","0.951","","","","has coordinates","179062","2020-10-21","18:00:00",""
"4303053","11.8995","0.0003","17.6082","0.0005","18.8645","0.0005","90","","101.352","0.0008","90","","3875.32","0.18","133.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C36 H52 F6 N2 O2 Pd Sb -","- C36 H52 F6 N2 O2 Pd Sb -","- C144 H208 F24 N8 O8 Pd4 Sb4 -","4","1","","Yuichi Shimazaki; T. Daniel P. Stack; Tim Storr","Detailed Evaluation of the Geometric and Electronic Structures of One-Electron Oxidized Group 10 (Ni, Pd, and Pt) Metal(II)-(Disalicylidene)diamine Complexes","Inorganic Chemistry","2009","48","","8383","8392","10.1021/ic901003q","","","0.7107","MoKα","","","0.0608","","","","0.1591","","","","","","1.242","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303619","13.5631","0.0002","21.7605","0.0004","17.2648","0.0003","90","","98.83","0.001","90","","5035.14","0.15","200","2","200","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C34 H40 Cu3 Fe6 I N2 O18 Te2 -","- C34 H40 Cu3 Fe6 I N2 O18 Te2 -","- C136 H160 Cu12 Fe24 I4 N8 O72 Te8 -","4","1","","Bo-Gaun Chen; Chia-Hua Ho; Chang-Ju Lee; Minghuey Shieh","Copper Halide-Incorporated Tellurium-Iron Carbonyl Complexes: Transformation, Electrochemical Properties, and Theoretical Calculations","Inorganic Chemistry","2009","48","","10757","10768","10.1021/ic901647n","","","0.71073","MoKα","","0.073","0.0469","","","0.1213","0.1524","","","","","","1.137","","","","has coordinates","179074","2020-10-21","18:00:00",""
"4304106","8.0198","0.0007","19.6504","0.0014","9.8681","0.0007","90","","94.882","0.003","90","","1549.5","0.2","150","","150","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[Ni(tsalamo)]","","","- C16 H14 N2 Ni O2 S2 -","- C16 H14 N2 Ni O2 S2 -","- C64 H56 N8 Ni4 O8 S8 -","4","1","","Shigehisa Akine; Ayako Akimoto; Takuya Shiga; Hiroki Oshio; Tatsuya Nabeshima","Synthesis, Stability, and Complexation Behavior of Isolable Salen-Type N2S2 and N2SO Ligands Based on Thiol and Oxime Functionalities","Inorganic Chemistry","2008","47","","875","885","10.1021/ic701525c","","","0.71069","MoKα","","0.0469","0.0443","","","0.1112","0.1136","","","","","","1.04","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304113","7.943","0.004","19.877","0.008","10.037","0.004","90","","96.51","0.02","90","","1574.5","1.2","120","","120","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[Pd(tsalamo)]","","","- C16 H14 N2 O2 Pd S2 -","- C16 H14 N2 O2 Pd S2 -","- C64 H56 N8 O8 Pd4 S8 -","4","1","","Shigehisa Akine; Ayako Akimoto; Takuya Shiga; Hiroki Oshio; Tatsuya Nabeshima","Synthesis, Stability, and Complexation Behavior of Isolable Salen-Type N2S2 and N2SO Ligands Based on Thiol and Oxime Functionalities","Inorganic Chemistry","2008","47","","875","885","10.1021/ic701525c","","","0.71069","MoKα","","0.043","0.0391","","","0.0878","0.0895","","","","","","1.104","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304123","6.8788","0.0018","11.8177","0.0019","17.033","0.004","90","","100.86","0.03","90","","1359.8","0.5","220","2","220","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H17 N5 Sn -","- C10 H17 N5 Sn -","- C40 H68 N20 Sn4 -","4","1","","Thomas Krüger; Tobias Rüffer; Heinrich Lang; Christoph Wagner; Dirk Steinborn","Synthesis, Characterization, and Reactivity of [Li(N6,N9-Me2Ade-H)]: A Structurally Characterized Lithiated Adenine","Inorganic Chemistry","2008","47","","1190","1195","10.1021/ic701569j","","","0.71073","MoKα","","0.0599","0.0394","","","0.0839","0.0903","","","","","","0.986","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4304161","14.2968","0.0004","12.9142","0.0004","23.2092","0.0007","90","","100.989","0.001","90","","4206.6","0.2","200","2","200","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","Bis[μ-8-quinolinethiolato-κ^2^S,N:κS]bis[(η^5^-pentamethylcyclopentadienyl) iridium(III)] Bis(hexafluorophosphate) Hemi(acetonitrile) Solvate","","- C39 H43.5 F12 Ir2 N2.5 P2 S2 -","- C39 H42 F12 Ir2 N2.5 P2 S2 -","- C156 H168 F48 Ir8 N10 P8 S8 -","4","1","","Mai Kotera; Yusuke Sekioka; Takayoshi Suzuki","Structural Versatility of 5-Methyltetrazolato Complexes of (η5-Pentamethylcyclopentadienyl)iridium(III) Incorporating 2,2'-Bipyridine, N,N-Dimethyldithiocarbamate, or 2-Pyridinethiolate Ligands","Inorganic Chemistry","2008","47","","3498","3508","10.1021/ic701631k","","","0.71075","MoKα","","0.0288","0.0236","","","0.048","0.0497","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304426","12.396","0.004","14.44","0.005","12.701","0.004","90","","117.14","0.01","90","","2023.1","1.2","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H18 N3 O6 Re -","- C20 H18 N3 O6 Re -","- C80 H72 N12 O24 Re4 -","4","1","","Aris Chiotellis; Charalambos Tsoukalas; Maria Pelecanou; Catherine Raptopoulou; Aris Terzis; Minas Papadopoulos; Zetta Papadopoulou-Daifoti; Ioannis Pirmettis","Convenient Route Leading to Neutralfac-M(CO)3(NNO) Complexes (M = Re,99mTc) Coupled to Amine Pharmacophores","Inorganic Chemistry","2008","47","","2601","2607","10.1021/ic7019268","","","0.71073","MoKα","","0.035","0.027","","","0.0646","0.0688","","","","","","1.068","","","","has coordinates","179082","2020-10-21","18:00:00",""
"4304479","11.799","0.003","17.254","0.004","12.113","0.003","90","","115.785","0.004","90","","2220.4","0.9","113","2","113","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H15 Fe2 O6 P S2 -","- C20 H15 Fe2 O6 P S2 -","- C80 H60 Fe8 O24 P4 S8 -","4","1","","Li-Cheng Song; Chang-Gong Li; Jie Gao; Bang-Shao Yin; Xiang Luo; Xiao-Guang Zhang; Hai-Lin Bao; Qing-Mei Hu","Synthesis, Structure, and Electrocatalysis of Diiron C-Functionalized Propanedithiolate (PDT) Complexes Related to the Active Site of [FeFe]-Hydrogenases","Inorganic Chemistry","2008","47","","4545","4553","10.1021/ic701982z","","","0.7107","MoKα","","0.08","0.0672","","","0.1365","0.1432","","","","","","1.188","","","","has coordinates","179082","2020-10-21","18:00:00",""
"4305054","8.8433","0.0003","14.173","0.0007","11.6532","0.0005","90","","109.736","0.005","90","","1374.77","0.11","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H38 Cu2 N8 Ni O8 -","- C18 H38 Cu2 N8 Ni O8 -","- C36 H76 Cu4 N16 Ni2 O16 -","2","0.5","","Chaitali Biswas; Michael G. B. Drew; Ashutosh Ghosh","Stabilization of a Helical Water Chain in a Metal-Organic Host of a Trinuclear Schiff Base Complex","Inorganic Chemistry","2008","47","","4513","4519","10.1021/ic8002542","","","0.71073","MoKα","","0.0715","0.0551","","","0.1383","0.1466","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305123","28.665","0.005","7.5735","0.0019","32.376","0.006","90","","114.843","0.006","90","","6378","2","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C71.82 H14.49 Au Cu F30 N6 -","- C71.824 H14.488 Au Cu F30 N6 -","- C287.296 H57.952 Au4 Cu4 F120 N24 -","4","1","","Shigeki Mori; Atsuhiro Osuka","Heterobismetal Complexes of [26]Hexaphyrin(1.1.1.1.1.1)","Inorganic Chemistry","2008","47","","3937","3939","10.1021/ic8004147","","","0.71075","MoKα","","0.0792","0.067","","","0.1604","0.1682","","","","","","1.099","","","","has coordinates,has disorder","179089","2020-10-21","18:00:00",""
"4305227","17.715","0.004","10.9196","0.0011","20.288","0.004","90","","110.04","0.009","90","","3686.9","1.2","200","2","200","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C34 H37 Cl5 N5 O2 P Ru -","- C34 H37 Cl5 N5 O2 P Ru -","- C136 H148 Cl20 N20 O8 P4 Ru4 -","4","1","","Stefan Tampier; Rainer Müller; Andrea Thorn; Eike Hübner; Nicolai Burzlaff","Synthesis, Structure, and Reactivity of Ruthenium Carboxylato and 2-Oxocarboxylato Complexes Bearing the Bis(3,5-dimethylpyrazol-1-yl)acetato Ligand","Inorganic Chemistry","2008","47","","9624","9641","10.1021/ic8000224","","x-ray","0.71073","MoKα","","0.0747","0.0441","","","0.1015","0.1085","","","","","","1.045","","","","has coordinates","179090","2020-10-21","18:00:00",""
"4305287","12.012","0.0001","14.42","0.0001","21.964","0.0002","90","","105.101","0.001","90","","3673.08","0.05","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H27 B O2 -","- C20 H27 B O2 -","- C160 H216 B8 O16 -","8","2","","Ewan Galbraith; Thomas M. Fyles; Frank Marken; Matthew G. Davidson; Tony D. James","Fluorescent Boron Bis(phenolate) with Association Response to Chloride and Dissociation Response to Fluoride","Inorganic Chemistry","2008","47","","6236","6244","10.1021/ic800204q","","x-ray","0.71073","MoKα","","0.0603","0.0474","","","0.11","0.1186","","","","","","1.042","","","","has coordinates,has disorder","179090","2020-10-21","18:00:00",""
"4305916","17.118","0.003","13.014","0.003","18.085","0.004","90","","92.013","0.004","90","","4026.4","1.5","113.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C28 H44 Cl4 Mo2 N2 S8 -","- C28 H44 Cl4 Mo2 N2 S8 -","- C112 H176 Cl16 Mo8 N8 S32 -","4","1","","Hideki Sugimoto; Koichiro Suyama; Kunihisa Sugimoto; Hiroyuki Miyake; Isao Takahashi; Shun Hirota; Shinobu Itoh","A New Class of Sulfido/Oxo(dithiolene)-Molybdenum(IV) Complexes Derived from Sulfido/Oxo-Bis(tetrasulfido)molybdenum(IV) Anions","Inorganic Chemistry","2008","47","","10150","10157","10.1021/ic800832a","","","0.71075","MoKα","","","0.079","","","","0.1511","","","","","","1.14","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306049","15.919","0.002","24.2481","0.0016","24.8093","0.0016","90","0.006","106.15","","90","0.008","9198.6","1.4","293","2","293","2","","","","","","","Synthesis","7","P 1 21/a 1","-P 2yab","14","","[(k3-dapdoH)RuCOCl(PPh3)2]PF6","","- C46 H40 F6 N3 O4 P3 Ru -","- C46 H40 F6 N3 O4 P3 Ru -","- C368 H320 F48 N24 O32 P24 Ru8 -","8","2","","Sanjay Kumar Singh; Sanjeev Sharma; Sudhakar Dhar Dwivedi; Ru-Qiang Zou; Qiang Xu; Daya Shankar Pandey","Reactivity of the Oxime/Oximato Group in Ruthenium(II) Complexes","Inorganic Chemistry","2008","47","","11942","11949","10.1021/ic8009699","","","0.71073","MoKα","","0.1557","0.056","","","0.1441","0.1747","","","","","","1.017","","","","has coordinates","179098","2020-10-21","18:00:00",""
"4306393","9.1777","0.0008","52.808","0.004","11.427","0.001","90","","98.209","0.002","90","","5481.4","0.8","100","2","100","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C51 H48 Ag2 Cl6 F12 N4 P4 -","- C51 H48 Ag2 Cl6 F12 N4 P4 -","- C204 H192 Ag8 Cl24 F48 N16 P16 -","4","1","","Stefan Welsch; Christophe Lescop; Manfred Scheer; Régis Réau","AgI Bimetallic Molecular Clips with Adaptive Coordination Behavior for Supramolecular Chemistry","Inorganic Chemistry","2008","47","","8592","8594","10.1021/ic801222j","","","0.71073","MoKα","","0.0871","0.0682","","","0.1657","0.1837","","","","","","1.174","","","","has coordinates,has disorder","179101","2020-10-21","18:00:00",""
"4306450","18.9503","0.0003","9.9521","0.0002","19.7374","0.0005","90","","113.002","0.001","90","","3426.42","0.13","200","2","200","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C25 H40 Cl Cu Fe3 N2 O9 Se -","- C25 H40 Cl Cu Fe3 N2 O9 Se -","- C100 H160 Cl4 Cu4 Fe12 N8 O36 Se4 -","4","1","","Minghuey Shieh; Chia-Yeh Miu; Chang-Ju Lee; Wei-Cheng Chen; Yen-Yi Chu; Hui-Lung Chen","Construction of Copper Halide-Triiron Selenide Carbonyl Complexes: Synthetic, Electrochemical, and Theoretical Studies","Inorganic Chemistry","2008","47","","11018","11031","10.1021/ic8012552","","","0.71073","MoKα","","0.0994","0.0752","","","0.2034","0.2326","","","","","","1.004","","","","has coordinates,has disorder","179102","2020-10-21","18:00:00",""
"4306451","18.7266","0.0002","10.0586","0.0001","19.963","0.00029","90","","113.16","","90","","3457.26","0.07","200","2","200","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C25 H40 Br Cu Fe3 N2 O9 Se -","- C25 H40 Br Cu Fe3 N2 O9 Se -","- C100 H160 Br4 Cu4 Fe12 N8 O36 Se4 -","4","1","","Minghuey Shieh; Chia-Yeh Miu; Chang-Ju Lee; Wei-Cheng Chen; Yen-Yi Chu; Hui-Lung Chen","Construction of Copper Halide-Triiron Selenide Carbonyl Complexes: Synthetic, Electrochemical, and Theoretical Studies","Inorganic Chemistry","2008","47","","11018","11031","10.1021/ic8012552","","","0.71073","MoKα","","0.055","0.0362","","","0.0979","0.1275","","","","","","1.106","","","","has coordinates","179102","2020-10-21","18:00:00",""
"4306452","19.337","0.01","10.0058","0.0018","20.407","0.007","90","","114.28","0.04","90","","3599","3","298","2","298","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C25 H40 Cu Fe3 I N2 O9 Se -","- C25 H40 Cu Fe3 I N2 O9 Se -","- C100 H160 Cu4 Fe12 I4 N8 O36 Se4 -","4","1","","Minghuey Shieh; Chia-Yeh Miu; Chang-Ju Lee; Wei-Cheng Chen; Yen-Yi Chu; Hui-Lung Chen","Construction of Copper Halide-Triiron Selenide Carbonyl Complexes: Synthetic, Electrochemical, and Theoretical Studies","Inorganic Chemistry","2008","47","","11018","11031","10.1021/ic8012552","","","0.71073","Mokα","","0.102","0.0485","","","0.1285","0.1497","","","","","","1.089","","","","has coordinates","179102","2020-10-21","18:00:00",""
"4306754","10.317","0.005","36.146","0.005","14.429","0.005","90","","111.772","0.005","90","","4997","3","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C42 H57 Cl6 Fe2 N7 O2 -","- C42 H57 Cl6 Fe2 N7 O2 -","- C168 H228 Cl24 Fe8 N28 O8 -","4","1","","Manas K. Panda; Alex John; Mobin M. Shaikh; Prasenjit Ghosh","Mimicking the Intradiol Catechol Cleavage Activity of Catechol Dioxygenase by High-Spin Iron(III) Complexes of a New Class of a Facially Bound [N2O] Ligand","Inorganic Chemistry","2008","47","","11847","11856","10.1021/ic801576f","","","0.71073","MoKα","","0.1108","0.0775","","","0.1645","0.1782","","","","","","1.093","","","","has coordinates","179105","2020-10-21","18:00:00",""
"4306770","16.674","0.0001","10.809","0.0001","20.879","0.0002","90","","111.877","0.001","90","","3492.02","0.06","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H60 N4 O4 Zn4 -","- C24 H60 N4 O4 Zn4 -","- C96 H240 N16 O16 Zn16 -","4","1","","Andrew L. Johnson; Nathan Hollingsworth; Gabriele Kociok-Köhn; Kieran C. Molloy","Organozinc Aminoalcoholates: Synthesis, Structure, and Materials Chemistry","Inorganic Chemistry","2008","47","","12040","12048","10.1021/ic801591d","","","0.71073","MoKα","","0.0437","0.0321","","","0.0802","0.0856","","","","","","1.065","","","","has coordinates,has disorder","179105","2020-10-21","18:00:00",""
"4306812","20.9438","0.0003","13.0864","0.0002","23.3105","0.0005","90","","111.651","0.0006","90","","5938.15","0.18","150","","150","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(Me2calix)TiNN(Me)Ph . 2(C7H8)","","- C67 H82 N2 O4 Ti -","- C67 H82 N2 O4 Ti -","- C268 H328 N8 O16 Ti4 -","4","1","","Andrew J. Clulow; Jonathan D. Selby; Michael G. Cushion; Andrew D. Schwarz; Philip Mountford","Synthesis, Structures and Reactivity of Group 4 Hydrazido Complexes Supported by Calix[4]arene Ligands","Inorganic Chemistry","2008","47","","12049","12062","10.1021/ic801735c","","","0.71073","MoKα","","0.1333","0.0593","","0.1076","0.0628","0.0628","","","","","","1.1748","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306943","13.247","0.003","23.613","0.006","12.127","0.003","90","","99.452","0.018","90","","3741.8","1.6","123","2","123","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","complex4","","- C33 H32 F12 N8 O P2 Ru -","- C33 H26 F11.94 N8 O P2 Ru -","- C132 H104 F47.76 N32 O4 P8 Ru4 -","4","1","","Akiko Inagaki; Shinichi Yatsuda; Shinichi Edure; Akiko Suzuki; Takeshi Takahashi; Munetaka Akita","Synthesis of Pd Complexes Combined with Photosensitizing of a Ruthenium(II) Polypyridyl Moiety through a Series of Substituted Bipyrimidine Bridges. Substituent Effect of the Bridging Ligand on the Photocatalytic Dimerization of α-Methylstyrene","Inorganic Chemistry","2007","46","","2432","2445","10.1021/ic0612909","","","0.71069","MoKα","","0.0677","0.0511","","","0.1392","0.1499","","","","","","1.03","","","","has coordinates","179107","2020-10-21","18:00:00",""
"4307364","17.6105","0.0004","15.5432","0.0005","29.3316","0.0009","90","","91.475","0.003","90","","8026.1","0.4","120","2","120","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C54 H124 I Mo6 N5 O26 -","- C54 H124 I Mo6 N5 O26 -","- C216 H496 I4 Mo24 N20 O104 -","4","1","","Daisuke Honda; Shusaku Ikegami; Tomoaki Inoue; Tomoji Ozeki; Atsushi Yagasaki","Protonation and Methylation of an Anderson-Type Polyoxoanion [IMo6O24]5-","Inorganic Chemistry","2007","46","","1464","1470","10.1021/ic061881z","","","0.71073","MoKα","","0.0937","0.0588","","","0.1708","0.1842","","","","","","1.004","","","","has coordinates,has disorder","179111","2020-10-21","18:00:00",""
"4307694","9.1455","0.0013","8.4625","0.0012","15.81","0.002","90","","103.57","0.013","90","","1189.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H16 N4 O2 -","- C12 H16 N4 O2 -","- C48 H64 N16 O8 -","4","1","","Patricia Antunes; Rita Delgado; Michael G. B. Drew; Vitor Félix; Helmut Maecke","Copper Complexes of New Benzodioxotetraaza Macrocycles with Potential Applications in Nuclear Medicine","Inorganic Chemistry","2007","46","","3144","3153","10.1021/ic062172o","","","0.71073","MoKα","","0.1367","0.106","","","0.315","0.3254","","","","","","1.18","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4307708","10.515","0.002","28.9","0.009","10.762","0.005","90","","113.402","0.004","90","","3001.4","1.8","173.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H33 Cu F6 N4 Sb -","- C29 H33 Cu F6 N4 Sb -","- C116 H132 Cu4 F24 N16 Sb4 -","4","1","","Kajita, Yuji; Arii, Hidekazu; Saito, Takahiro; Saito, Yamato; Nagatomo, Shigenori; Kitagawa, Teizo; Funahashi, Yasuhiro; Ozawa, Tomohiro; Masuda, Hideki","Syntheses, Characterization, and Dioxygen Reactivities of Cu(I) Complexes with cis,cis-1,3,5-Triaminocyclohexane Derivatives: A Cu(III)2O2Intermediate Exhibiting Higher C‒H Activation","Inorganic Chemistry","2007","46","8","3322","3335","10.1021/ic062206s","","","0.7107","MoKα","","","0.0391","","","","0.1368","","","","","","1.022","","","","has coordinates","210308","2020-10-21","18:00:00",""
"4307709","16.97","0.03","19.83","0.02","19.62","0.04","90","0.015","107.925","0.017","90","0.015","6282","18","103.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C28 H33 Cu F6 N3 O2 Sb -","- C28 H33 Cu F6 N3 O2 Sb -","- C224 H264 Cu8 F48 N24 O16 Sb8 -","8","2","","Kajita, Yuji; Arii, Hidekazu; Saito, Takahiro; Saito, Yamato; Nagatomo, Shigenori; Kitagawa, Teizo; Funahashi, Yasuhiro; Ozawa, Tomohiro; Masuda, Hideki","Syntheses, Characterization, and Dioxygen Reactivities of Cu(I) Complexes with cis,cis-1,3,5-Triaminocyclohexane Derivatives: A Cu(III)2O2Intermediate Exhibiting Higher C‒H Activation","Inorganic Chemistry","2007","46","8","3322","3335","10.1021/ic062206s","","","0.7107","MoKα","","","0.0701","","","","0.2128","","","","","","1.04","","","","has coordinates","210308","2020-10-21","18:00:00",""
"4307741","8.045","0.003","8.335","0.003","11.588","0.004","90","","93.22","0.03","90","","775.8","0.5","99","2","99","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","[Co(4-acpy)2(N3)2]n","","","- C14 H14 Co N8 O2 -","- C14 H14 Co N8 O2 -","- C28 H28 Co2 N16 O4 -","2","0.5","","Morsy A. M. Abu-Youssef; Franz A. Mautner; Ramon Vicente","1D and 2D End-to-End Azide-Bridged Cobalt(II) Complexes: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2007","46","","4654","4659","10.1021/ic0622297","","","0.71069","MoKα","","0.0558","0.0408","","0.095","","0.0848","","","1.088","","","1.086","","","","has coordinates","179115","2020-10-21","18:00:00",""
"4308180","17.493","0.006","10.969","0.004","18.647","0.005","90","","114.08","0.03","90","","3267","2","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H34 Cl4 Cu2 N8 O12 -","- C22 H34 Cl4 Cu2 N8 O12 -","- C88 H136 Cl16 Cu8 N32 O48 -","4","1","","Gianluca Ambrosi; Mauro Formica; Vieri Fusi; Luca Giorgi; Annalisa Guerri; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi","A New Branched Phenanthroline Derivative Ligand: Synthesis, Solution Chemistry, and Crystal Structures of Copper(II) and Zinc(II) Complexes","Inorganic Chemistry","2007","46","","4737","4748","10.1021/ic070184j","","","0.71069","MoKα","","0.1397","0.0971","","","0.2161","0.2483","","","","","","1.076","","","","has coordinates","179119","2020-10-21","18:00:00",""
"4308357","12.7833","0.0001","11.6372","0.0001","18.5013","0.0002","90","","102.831","0.0004","90","","2683.56","0.04","200","","","","","","","","","","Local laboratory","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H32 Cl3 Co N4 O10 -","- C19 H26 Cl3 Co N4 O9 -","- C76 H104 Cl12 Co4 N16 O36 -","4","1","","Zhou, Xiangting; Day, Anthony I.; Edwards, Alison J.; Willis, Anthony C.; Jackson, W. Gregory","Facile C‒H Bond Activation: Synthesis of the N4C Donor Set Pentadentate Ligand 1,4-Bis(2-pyridylmethyl)-1,4-diazacyclononane (dmpdacn) and a Structural Study of Its Alkyl‒Cobalt(III) Complex [Co(dmpdacn-C)(OH2)](ClO4)2·H2O and Its Hydroxylated Derivative [Co(dmpdacnOH-O)Cl](ClO4)2·C3H6O","Inorganic Chemistry","2005","44","2","452","460","10.1021/ic040081q","","","0.71073","MoKα","","","0.0413","","","","0.0475","","","","","","1.0678","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4308358","13.331","0.003","23.353","0.005","16.478","0.004","90","","94.98","0.02","90","","5111","2","296.2","","296.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H62 Cl4 Co2 N10 O21 -","- C38 H52 Cl4 Co2 N10 O21 -","- C152 H208 Cl16 Co8 N40 O84 -","4","1","","Jackson, W. Gregory; Dickie, Alistair J.; McKeon, Josephine A.; Spiccia, Leone; Brudenell, Suzanne J.; Hockless, David C. R.; Willis, Anthony C.","Synthesis, Structure, and Kinetics and Stereochemistry of Base-Catalyzed Hydrolysis of meso- and rac-[Co2(tmpdtne)Cl2]4+, Bis(pentaamine) Complexes Devoid of Deprotonatable NH Centers","Inorganic Chemistry","2005","44","2","401","409","10.1021/ic0400888","","","1.5418","CuKα","","0.3506","0.0901","","0.127","","0.0764","","","1.5","","","2.096","","","","has coordinates","210147","2020-10-21","18:00:00",""
"4308546","9.931","0.002","10.952","0.003","10.448","0.002","90","","106.77","0.02","90","","1088","0.4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C4 H4 B K N8 O4 -","- C4 H4 B K N8 O4 -","- C16 H16 B4 K4 N32 O16 -","4","1","","Maura Pellei; Franco Benetollo; Giancarlo Gioia Lobbia; Simone Alidori; Carlo Santini","The First Nitro-Substituted Heteroscorpionate Ligand","Inorganic Chemistry","2005","44","","846","848","10.1021/ic048562x","","","0.71073","MoKα","","0.0456","0.0449","","","0.1189","0.1196","","","","","","1.22","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308642","8.0198","0.0007","19.6504","0.0014","9.8681","0.0007","90","","94.882","0.003","90","","1549.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[Ni(tsalamo)]","","","- C16 H14 N2 Ni O2 S2 -","- C16 H14 N2 Ni O2 S2 -","- C64 H56 N8 Ni4 O8 S8 -","4","1","","Shigehisa Akine; Tatsuya Nabeshima","Novel Thiosalamo Ligand as a Remarkably Stable N2S2 Salen-Type Chelate and Synthesis of a Nickel(II) Complex","Inorganic Chemistry","2005","44","","1205","1207","10.1021/ic048347g","","","0.71069","MoKα","","0.0469","0.0443","","","0.1112","0.1136","","","","","","1.04","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308681","7.62079","","11.53322","","8.67176","","90","","101.193","","90","","747.684","","","","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","tetraaquo-bis(5-nitro-pyrimidin-2-olate)-cobalt(ii)","","- C8 H12 Co N6 O10 -","- C8 H4 Co N6 O10 -","- C16 H8 Co2 N12 O20 -","2","0.5","","Elisa Barea; M. Angustias Romero; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Structure, Spectroscopic Properties, and Reversible Solid-to-Solid Reactions of Metal Complexes of 5-Nitro-pyrimidin-2-olate","Inorganic Chemistry","2005","44","","1472","1481","10.1021/ic048539b","","","1.5418","CuKα","","0.076","","","","","0.101","","","","","","4.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308682","7.502977","","11.46582","","8.750554","","90","","101.781","","90","","736.934","","","","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","tetraaquo-bis(5-nitro-pyrimidin-2-olate)-nickel(ii)","","- C8 H12 N6 Ni O10 -","- C6 N6 Ni O4 -","- C12 N12 Ni2 O8 -","2","0.5","","Elisa Barea; M. Angustias Romero; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Structure, Spectroscopic Properties, and Reversible Solid-to-Solid Reactions of Metal Complexes of 5-Nitro-pyrimidin-2-olate","Inorganic Chemistry","2005","44","","1472","1481","10.1021/ic048539b","","","1.5418","CuKα","","0.121","","","","","0.166","","","","","","7.86","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308739","8.785","0.011","9.0793","0.0018","10.718","0.006","90","0.005","110.824","0.006","90","0.005","799","1.1","200","2","200","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- B2 Cd F10 Xe -","- B2 Cd F10 Xe -","- B8 Cd4 F40 Xe4 -","4","1","","Gašper Tavčar; Boris Žemva","XeF2 as a Ligand in a Coordination Compound with the BF4- Anion","Inorganic Chemistry","2005","44","","1525","1529","10.1021/ic048684p","","","0.71069","MoKα","","0.0279","0.0238","","","0.0546","0.0587","","","","","","1.141","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4309007","19.4091","0.0008","8.9255","0.0004","19.7706","0.0008","90","","106.98","0.001","90","","3275.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C28 H40 N6 O4 Pb S2 -","- C28 H40 N6 O4 Pb S2 -","- C112 H160 N24 O16 Pb4 S8 -","4","1","","Carlos Platas-Iglesias; David Esteban-Gómez; Teresa Enríquez-Pérez; Fernando Avecilla; Andrés de Blas; Teresa Rodríguez-Blas","Lead(II) Thiocyanate Complexes with Bibracchial Lariat Ethers: An X-ray and DFT Study","Inorganic Chemistry","2005","44","","2224","2233","10.1021/ic048768y","","","0.71073","MoKα","","0.1419","0.0542","","","0.0881","0.1091","","","","","","0.917","","","","has coordinates,has disorder","179128","2020-10-21","18:00:00",""
"4309033","12.32059","0.00051","24.1211","0.001","3.8","","90","","90","","90","","1129.31","0.07","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[DT-TTF][Au0.75Pt0.25(mnt)2]","","","- C18 H4 Au0.75 N4 Pt0.25 S10 -","- C18 H4 Au0.75 N4 Pt0.25 S10 -","- C36 H8 Au1.5 N8 Pt0.5 S20 -","2","0.5","","Xavi Ribas; Angelo Sironi; Norberto Masciocchi; Elsa B. Lopes; Manuel Almeida; Jaume Veciana; Concepció Rovira","Structural, Magnetic, and Electrical Characterization of New Polycrystalline Phases of Nickel- and Platinum-Doped [(DT-TTF)n][Au(mnt)2] (n= 1, 2)","Inorganic Chemistry","2005","44","","2358","2366","10.1021/ic048484d","","","","","","","","","","","","","","","","","","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309348","10.093","0.001","9.5224","0.0006","15.5413","0.0017","90","","99.969","0.012","90","","1471.1","0.2","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H13 Co2 N O9 P2 -","- C10 H10 Co2 N O9 P2 -","- C40 H40 Co8 N4 O36 P8 -","4","1","","Sebastian Bauer; Thomas Bein; Norbert Stock","High-Throughput Investigation and Characterization of Cobalt Carboxy Phosphonates","Inorganic Chemistry","2005","44","","5882","5889","10.1021/ic0505089","","","0.71073","MoKα","","0.1068","0.0553","","","0.1182","0.1309","","","","","","0.896","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309775","19.011","0.001","21.985","0.001","23.38","0.001","90","","98.37","0.002","90","","9667.7","0.8","133.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C113 H132 B2 Co N6 O3 -","- C113 H132 B2 Co N6 O3 -","- C452 H528 B8 Co4 N24 O12 -","4","1","","Shinya Hayami; Reiko Moriyama; Yuji Shigeyoshi; Ryo Kawajiri; Tadaoki Mitani; Motoko Akita; Katsuya Inoue; Yonezo Maeda","Spin-Crossover Cobalt(II) Compound with Banana-Shaped Structure","Inorganic Chemistry","2005","44","","7295","7297","10.1021/ic051059f","","","0.7107","MoKα","","","0.0819","","","","0.1984","","","","","","2.229","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309841","12.088","0.002","9.614","0.001","16.7819","0.0007","90","","107.343","0.006","90","","1861.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H29 As Cl N -","- C18 H29 As Cl N -","- C72 H116 As4 Cl4 N4 -","4","1","","Neil Burford; T. Stanley Cameron; Charles L. B. Macdonald; Katherine N. Robertson; Robert Schurko; Denise Walsh; Robert McDonald; Roderick E. Wasylishen","Dissociation of 2,4-Bis(2,4,6-tri-tert-butylphenyl)-cyclo-1,3-dipnicta-2,4-diazanes (pnict = P, As, Sb) Imposed by Substituent Steric Strain: A Cyclobutane/Olefin Analogy","Inorganic Chemistry","2005","44","","8058","8064","10.1021/ic050770h","","","1.5418","CuKα","","0.0949","0.0364","","","0.0919","0.1101","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4310083","9.883","0.005","23.837","0.005","12.395","0.005","90","","94.22","0.005","90","","2912","2","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H40 N2 Ni O4 S16 -","- C38 H40 N2 Ni O4 S16 -","- C76 H80 N4 Ni2 O8 S32 -","2","0.5","","Julien Massue; Nathalie Bellec; Stéphanie Chopin; Eric Levillain; Thierry Roisnel; Rodolphe Clérac; Dominique Lorcy","Electroactive Ligands: The First Metal Complexes of Tetrathiafulvenyl-Acetylacetonate","Inorganic Chemistry","2005","44","","8740","8748","10.1021/ic051017r","","x-ray","0.71069","MoKα","","0.072","0.0527","","","0.1497","0.1645","","","","","","1.032","","","","has coordinates,has disorder","179139","2020-10-21","18:00:00",""
"4310206","15.05","0.01","9.701","0.006","27.03","0.03","90","","98.56","0.02","90","","3902","6","253.2","","223.15","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C44 H36 Br2 Cu2 N2 P2 -","- C44 H36 Br2 Cu2 N2 P2 -","- C176 H144 Br8 Cu8 N8 P8 -","4","1","","Hiromi Araki; Kiyoshi Tsuge; Yoichi Sasaki; Shoji Ishizaka; Noboru Kitamura","Luminescence Ranging from Red to Blue: A Series of Copper(I)-Halide Complexes Having Rhombic {Cu2(μ-X)2} (X = Br and I) Units with N-Heteroaromatic Ligands","Inorganic Chemistry","2005","44","","9667","9675","10.1021/ic0510359","","","0.7107","MoKα","","","0.0653","","","","0.1467","","","","","","1.409","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310253","17.477","0.003","16.156","0.003","18.996","0.004","90","0.001","101.699","0.001","90","0.001","5252.3","1.7","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C57 H44 Fe2 Mn N16 O5 -","- C57 H38 Fe2 Mn N16 O5 -","- C228 H152 Fe8 Mn4 N64 O20 -","4","1","","Zhong-Hai Ni; Hui-Zhong Kou; Li-Fang Zhang; Wei-Wei Ni; Yun-Bo Jiang; Ai-Li Cui; Joan Ribas; Osamu Sato","mer-[Fe(pcq)(CN)3]-: A Novel Cyanide-Containing Building Block and Its Application to Assembling Cyanide-Bridged Trinuclear FeIII2MnII Complexes [pcq-= 8-(Pyridine-2-carboxamido)quinoline Anion]","Inorganic Chemistry","2005","44","","9631","9633","10.1021/ic051385v","","","0.7107","MoKα","","0.0803","0.07","","","0.1775","0.1877","","","","","","1.052","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310386","21.979","0.002","10.924","0.001","34.406","0.002","90","","90.81","0.01","90","","8260","1.2","20","2","20","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C88 H144 Co16 -","- C88 Co8 Y144 -","- C352 Co32 Y576 -","4","1","","Robert Bau; Nam N. Ho; Joerg J. Schneider; Sax A. Mason; Garry J. McIntyre","Neutron Diffraction Study of [H4Co4(C5Me4Et)4], a Tetrahedral Metal Cluster Complex with Four Face-Bridging Hydride Ligands","Inorganic Chemistry","2004","43","","555","558","10.1021/ic030275q","","neutron","1.3201","neutronbeam","","0.1434","0.0994","","","0.233","0.2568","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310476","15.1347","0.0002","19.483","0.0003","15.2672","0.0003","90","","105.684","0.001","90","","4334.21","0.12","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","Te(Tm)2","","","- C26 H34 B2 Cl6 N12 S6 Te -","- C26 H34 B2 Cl6 N12 S6 Te -","- C104 H136 B8 Cl24 N48 S24 Te4 -","4","1","","Christopher A. Dodds; Alan R. Kennedy; John Reglinski; Mark D. Spicer","Pushing the Frontiers of Hard and Soft Scorpionate Chemistry","Inorganic Chemistry","2004","43","","394","395","10.1021/ic035167i","","x-ray","0.71073","MoKα","","0.0665","0.0429","","","0.0871","0.0952","","","","","","1.025","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310494","8.6859","0.0007","28.06","0.002","9.5334","0.0009","90","","107.894","0.01","90","","2211.1","0.3","153","2","153","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H19 Cl3 Cu2 N6 O4 -","- C18 H19 Cl3 Cu2 N6 O4 -","- C72 H76 Cl12 Cu8 N24 O16 -","4","1","","Dilovan S. Cati; Joan Ribas; Jordi Ribas-Ariño; Helen Stoeckli-Evans","Self-Assembly of CuII and NiII [2 x 2] Grid Complexes and a Binuclear CuII Complex with a New Semiflexible Substituted Pyrazine Ligand: Multiple Anion Encapsulation and Magnetic Properties","Inorganic Chemistry","2004","43","","1021","1030","10.1021/ic030174s","","","0.71073","MoKα","","0.162","0.0358","","","0.0506","0.0808","","","","","","0.503","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310495","13.046","0.002","25.712","0.005","13.187","0.003","90","","117.42","0.01","90","","3926.5","1.4","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C35 H22 F15 Os P2 S5 -","- C35 H22 F15 Os P2 S5 -","- C140 H88 F60 Os4 P8 S20 -","4","1","","Maribel Arroyo; Sylvain Bernès; Joaquín Cerón; Jordi Rius; Hugo Torrens","Insertion reactions of [M(SR)~3~(PMe~2~Ph)~2~] with CS~2~ (M = Ru, Os; R = C~6~F~4~H, C~6~F~5~). X-ray structures of [Ru(S~2~CSC~6~F~4~H-4)~2~(PMe~2~Ph)~2~], trans thiolates- M(SR)~2~(S~2~CSR)(PMe~2~Ph)~2~] (M = Ru; R = C~6~F~5~ and M = Os; R = C~6~F~4~H-4) and trans thiolate-phosphine- [Os(SC~6~F~5~)~2~(S~2~CSC~6~F~5~)(PMe~2~Ph)~2~]","Inorganic Chemistry","2004","43","","986","992","10.1021/ic034125r","","x-ray","0.71073","MoKα","","0.2362","0.0555","","","0.1336","0.2025","","","","","","0.951","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310499","14.855","0.002","12.647","0.004","5.9688","0.0009","90","","98.37","0.01","90","","1109.4","0.4","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C9 H11 Cu N5 O -","- C9 H11 Cu N5 O -","- C36 H44 Cu4 N20 O4 -","4","1","","Subratanath Koner; Sandip Saha; Tallal Mallah; Ken-Ichi Okamoto","Unprecedented Low Cu-N(azide)-Cu Angles in End-On Double Azido Bridged Copper(II) Complex","Inorganic Chemistry","2004","43","","840","842","10.1021/ic034347p","","","0.7107","MoKα","","","0.0358","","","","0.1251","","","","","","1.178","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310695","9.8308","0.0011","12.205","0.002","16.792","0.002","90","","91.364","0.015","90","","2014.2","0.5","180","2","180","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H27 Fe N O -","- C25 H27 Fe N O -","- C100 H108 Fe4 N4 O4 -","4","1","","Jérôme Maynadié; Béatrice Delavaux-Nicot; Dominique Lavabre; Bruno Donnadieu; Jean-Claude Daran; Alix Sournia-Saquet","From Calcium Interaction to Calcium Electrochemical Detection by [(C5H5)Fe(C5H4COCHCHC6H4NEt2)] and Its Two Novel Structurally Characterized Derivatives","Inorganic Chemistry","2004","43","","2064","2077","10.1021/ic0345828","","","0.71073","MoKα","","0.0946","0.0488","","","0.093","0.1058","","","","","","0.92","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310844","11.7907","0.0005","13.1664","0.0005","11.9232","0.0006","90","","113.866","0.002","90","","1692.7","0.13","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H23 B Cl N -","- C18 H23 B Cl N -","- C72 H92 B4 Cl4 N4 -","4","1","","T. Chivers; C. Fedorchuk; M. Parvez","Synthetic and Structural Investigations of Monomeric Dilithium Boraamidinates and Bidentate NBNCN Ligands with Bulky N-Bonded Groups","Inorganic Chemistry","2004","43","","2643","2653","10.1021/ic0352755","","","0.71069","MoKα","","0.0698","0.0424","","","0.1094","0.124","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310972","20.395","0.003","15.287","0.002","21.022","0.004","90","","92.347","0.014","90","","6548.7","1.8","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C65 H71 B2 Cu2 F8 N3 P4 -","- C65 H71 B2 Cu2 F8 N3 P4 -","- C260 H284 B8 Cu8 F32 N12 P16 -","4","1","","Éric Fournier; Frédéric Lebrun; Marc Drouin; Andreas Decken; Pierre D. Harvey","Preparation and Solid-State Characterization of Mixed-Ligand Coordination/Organometallic Oligomers and Polymers of Copper(I) and Silver(I) Using Diphosphine and Mono- and Diisocyanide Ligands","Inorganic Chemistry","2004","43","","3127","3135","10.1021/ic034806m","","","1.5406","","","0.0822","0.0669","","","0.1997","0.2159","","","","","","1.051","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311058","10.1887","0.0008","8.0008","0.0011","11.6684","0.0009","90","","98.31","0.01","90","","941.19","0.17","296","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H22 Cu2 N4 O10 -","- C18 H18 Cu2 N4 O8 -","- C36 H36 Cu4 N8 O16 -","2","0.5","","Suman Mukhopadhyay; Pabitra Baran Chatterjee; Debdas Mandal; Golam Mostafa; Andrea Caneschi; Joris van Slageren; Timothy J. R. Weakley; Muktimoy Chaudhury","Honeycomb Nets with Interpenetrating Frameworks Involving Iminodiacetato-Copper(II) Blocks and Bipyridine Spacers: Syntheses, Characterization, and Magnetic Studies","Inorganic Chemistry","2004","43","","3413","3420","10.1021/ic035422z","","","0.71073","MoKα","","0.042","0.028","","0.067","","0.033","","","1.49","","","1.52","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311059","9.6779","0.001","9.1718","0.001","12.9144","0.0012","90","","102.796","0.008","90","","1117.9","0.2","296","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H22 Cu2 N4 O8 -","- C20 H22 Cu2 N4 O8 -","- C40 H44 Cu4 N8 O16 -","2","0.5","","Suman Mukhopadhyay; Pabitra Baran Chatterjee; Debdas Mandal; Golam Mostafa; Andrea Caneschi; Joris van Slageren; Timothy J. R. Weakley; Muktimoy Chaudhury","Honeycomb Nets with Interpenetrating Frameworks Involving Iminodiacetato-Copper(II) Blocks and Bipyridine Spacers: Syntheses, Characterization, and Magnetic Studies","Inorganic Chemistry","2004","43","","3413","3420","10.1021/ic035422z","","","0.71073","MoKα","","0.058","0.043","","0.114","","0.057","","","2.28","","","2.49","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311355","15.6327","0.0008","31.577","0.0016","19.6687","0.001","90","","111.392","0.001","90","","9040.2","0.8","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C194 H200 N32 Na2 O18 Sm2 -","- C194 H200 N32 Na2 O18 Sm2 -","- C388 H400 N64 Na4 O36 Sm4 -","2","0.5","","Hongchuan Zhang; Rongmin Wang; Peihua Zhu; Zefeng Lai; Juan Han; Chi-Fung Choi; Dennis K. P. Ng; Xuegui Cui; Changqin Ma; Jianzhuang Jiang","The First Slipped Pseudo-Quadruple-Decker Complex of Phthalocyanines","Inorganic Chemistry","2004","43","","4740","4742","10.1021/ic049705i","","","0.71073","MoKα","","0.1157","0.0761","","","0.1954","0.2266","","","","","","1.042","","","","has coordinates,has disorder","179152","2020-10-21","18:00:00",""
"4311506","7.277","0.002","15.929","0.003","8.263","0.002","90","","106.06","0.03","90","","920.4","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","catena-[aqua(mu-oxalato)purinecopper(II)]","","- C7 H6 Cu N4 O5 -","- C7 H6 Cu N4 O5 -","- C28 H24 Cu4 N16 O20 -","4","1","","Juan P. García-Terán; Oscar Castillo; Antonio Luque; Urko García-Couceiro; Pascual Román; Francesc Lloret","One-Dimensional Oxalato-Bridged Cu(II), Co(II), and Zn(II) Complexes with Purine and Adenine as Terminal Ligands","Inorganic Chemistry","2004","43","","5761","5770","10.1021/ic049569h","","x-ray","1.54178","CuKα","","0.0412","0.0411","","","0.1178","0.1179","","","","","","1.118","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311507","6.9489","0.0004","16.1481","0.0011","8.3511","0.0005","90","","105.956","0.006","90","","900.99","0.1","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","catena-[aqua(mu-oxalato)purinecobalt(II)]","","- C7 H6 Co N4 O5 -","- C7 H6 Co N4 O5 -","- C28 H24 Co4 N16 O20 -","4","1","","Juan P. García-Terán; Oscar Castillo; Antonio Luque; Urko García-Couceiro; Pascual Román; Francesc Lloret","One-Dimensional Oxalato-Bridged Cu(II), Co(II), and Zn(II) Complexes with Purine and Adenine as Terminal Ligands","Inorganic Chemistry","2004","43","","5761","5770","10.1021/ic049569h","","x-ray","0.71073","MoKα","","0.036","0.0353","","","0.0871","0.0876","","","","","","1.151","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311508","6.988","0.001","16.143","0.002","8.334","0.001","90","","106.1","0.01","90","","903.3","0.2","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","catena-[aqua(mu-oxalato)purinezinc(II)]","","- C7 H6 N4 O5 Zn -","- C7 H6 N4 O5 Zn -","- C28 H24 N16 O20 Zn4 -","4","1","","Juan P. García-Terán; Oscar Castillo; Antonio Luque; Urko García-Couceiro; Pascual Román; Francesc Lloret","One-Dimensional Oxalato-Bridged Cu(II), Co(II), and Zn(II) Complexes with Purine and Adenine as Terminal Ligands","Inorganic Chemistry","2004","43","","5761","5770","10.1021/ic049569h","","x-ray","0.71073","MoKα","","0.0677","0.0373","","","0.0764","0.0836","","","","","","0.908","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311509","6.897","0.001","16.457","0.002","8.308","0.001","90","","106.14","0.01","90","","905.8","0.2","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","catena-aqua(mu-oxalato)purinecobalt(II)","","- C7 H6.24 Co N4.24 O5 -","- C7 H6.24 Co N4.24 O5 -","- C28 H24.96 Co4 N16.96 O20 -","4","1","","Juan P. García-Terán; Oscar Castillo; Antonio Luque; Urko García-Couceiro; Pascual Román; Francesc Lloret","One-Dimensional Oxalato-Bridged Cu(II), Co(II), and Zn(II) Complexes with Purine and Adenine as Terminal Ligands","Inorganic Chemistry","2004","43","","5761","5770","10.1021/ic049569h","","x-ray","0.71073","MoKα","","0.0813","0.0433","","","0.073","0.0886","","","","","","0.892","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311607","7.231","0.0013","16.669","0.0011","11.057","0.0007","90","0.005","103.335","0.009","90","0.009","1296.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H14 N8 -","- C12 H14 N8 -","- C48 H56 N32 -","4","1","","Srikanta Patra; Biprajit Sarkar; Sandeep Ghumaan; Jan Fiedler; Wolfgang Kaim; Goutam Kumar Lahiri","Isovalent and Mixed-Valent Diruthenium Complexes [(acac)2RuII(μ-bpytz)RuII(acac)2] and [(acac)2RuII(μ-bpytz)RuIII(acac)2](ClO4) (acac = Acetylacetonate and bpytz = 3,6-Bis(3,5-dimethylpyrazolyl)-1,2,4,5-tetrazine): Synthesis, Spectroelectrochemical, and EPR Investigation","Inorganic Chemistry","2004","43","","6108","6113","10.1021/ic049346r","","","0.7093","MoKα","","0.051","0.0386","","","0.0935","0.103","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311640","9.248","0.003","17.372","0.004","12.754","0.002","90","","91.004","0.018","90","","2048.7","0.9","296","2","296","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","trans-Chloro(7H-adenine-κN^9^)bis(ethane-1,2-diamine)cobalt(III) Tetrafluoroborate Hydrate","","- C9 H23 B2 Cl Co F8 N9 O -","- C9 H23 B2 Cl Co F8 N9 O -","- C36 H92 B8 Cl4 Co4 F32 N36 O4 -","4","1","","Takayoshi Suzuki; Yoko Hirai; Hideaki Monjushiro; Sumio Kaizaki","Cobalt(III) Complexes of Monodentate N(9)-Bound Adeninate (ade-), [Co(ade-κN9)Cl(en)2]+ (en = 1,2-Diaminoethane): Syntheses, Crystal Structures, and Protonation Behaviors of the Geometrical Isomers","Inorganic Chemistry","2004","43","","6435","6444","10.1021/ic035336z","","","0.71069","MoKα","","0.0613","0.046","","","0.135","0.1441","","","","","","1.063","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311662","8.332","0.0018","20.42","0.004","10.32","0.003","90","","95.253","0.017","90","","1748.5","0.7","180","2","180","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","[Zn3(salamo)2(OAc)2]","","","- C36 H34 N4 O12 Zn3 -","- C36 H34 N4 O12 Zn3 -","- C72 H68 N8 O24 Zn6 -","2","0.5","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Cooperative Formation of Trinuclear Zinc(II) Complexes via Complexation of a Tetradentate Oxime Chelate Ligand, Salamo, and Zinc(II) Acetate","Inorganic Chemistry","2004","43","","6142","6144","10.1021/ic049282k","","","0.71069","MoKα","","0.0707","0.0587","","","0.1379","0.1474","","","","","","1.039","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311679","10.336","0.003","22.802","0.007","22.722","0.007","90","","94.586","0.005","90","","5338","3","223.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C68 H52 O10 Ru2 -","- C68 H52 O10 Ru2 -","- C272 H208 O40 Ru8 -","4","1","","Shuhei Furukawa; Susumu Kitagawa","Neutral Paddlewheel Diruthenium Complexes with Tetracarboxylates of Large π-Conjugated Substituents: Facile One-Pot Synthesis, Crystal Structures, and Electrochemical Studies","Inorganic Chemistry","2004","43","","6464","6472","10.1021/ic0493752","","","0.7107","MoKα","","","0.0293","","","","0.0626","","","","","","0.694","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311788","13.2132","0.00007","6.5384","0.0003","13.6825","0.00005","90","","110.135","0.002","90","","1109.83","0.05","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 N2 O2 S2 -","- C10 H10 N2 O2 S2 -","- C40 H40 N8 O8 S8 -","4","1","","R. Cejudo-Marín; G. Alzuet; S. Ferrer; J. Borrás; A. Castiñeiras; E. Monzani; L. Casella","Functional Superoxide Dismutase Mimics. Structural Characterization and Magnetic Exchange Interactions of Copper(II)-N-Substituted Sulfonamide Dimer Complexes","Inorganic Chemistry","2004","43","","6805","6814","10.1021/ic049718w","","","1.5418","CuKα","","0.0518","0.0463","","","0.1598","0.1982","","","","","","1.096","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4312057","16.8","0.02","20.748","0.006","19.343","0.008","90","","114.76","0.04","90","","6122","8","296","2","296","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C26 H33 Cl4 Ga N2 P -","- C26 H33 Cl4 Ga N2 P -","- C208 H264 Cl32 Ga8 N16 P8 -","8","2","","Bobby D. Ellis; Paul J. Ragogna; Charles L. B. Macdonald","Computational Insights into the Acceptor Chemistry of Phosphenium Cations","Inorganic Chemistry","2004","43","","7857","7867","10.1021/ic0488738","","","1.5418","CuKα","","0.3244","0.0745","","","0.2086","0.2798","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4312074","10.475","0.004","18.482","0.006","13.785","0.006","90","","100.06","0.01","90","","2627.7","1.7","133.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C28 H36 Cl N3 Ni O -","- C28 H36 Cl N3 Ni O -","- C112 H144 Cl4 N12 Ni4 O4 -","4","1","","Yuichi Shimazaki; Stefan Huth; Satoru Karasawa; Shun Hirota; Yoshinori Naruta; Osamu Yamauchi","Nickel(II)-Phenoxyl Radical Complexes: Structure-Radical Stability Relationship","Inorganic Chemistry","2004","43","","7816","7822","10.1021/ic049040k","","","0.7107","MoKα","","","0.0513","","","","0.0645","","","","","","0.953","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312165","15.6604","0.0001","23.0236","0.0002","23.3432","0.0002","90","","94.44","","90","","8391.34","0.12","173","1","173","1","","","","","","","","7","P 1 21/a 1","-P 2yab","14","ana235","","","- C91 H69 F18 O7 P3 Pt2 S -","- C91 H69 F18 O7 P3 Pt2 S -","- C364 H276 F72 O28 P12 Pt8 S4 -","4","1","","Jesús R. Berenguer; María Bernechea; Juan Forniés; Ana García; Elena Lalinde; M. Teresa Moreno","Alkynyldiphenylphosphine d8 (Pt, Rh, Ir) Complexes: Contrasting Behavior toward cis-[Pt(C6F5)2(THF)2]","Inorganic Chemistry","2004","43","","8185","8198","10.1021/ic048987j","","","0.71073","MoKα","","0.0606","0.0454","","","0.1078","0.1157","","","","","","1.043","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312213","8.935","0.001","9.056","0.002","10.214","0.003","90","","100.26","0.01","90","","813.3","0.3","293","2","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C4 H16 I4 N2 O2 Pb -","- C4 H16 I4 N2 O2 Pb -","- C8 H32 I8 N4 O4 Pb2 -","2","0.5","","Nicolas Mercier; Sylvain Poiroux; Amédée Riou; Patrick Batail","Unique Hydrogen Bonding Correlating with a Reduced Band Gap and Phase Transition in the Hybrid Perovskites (HO(CH2)2NH3)2PbX4 (X = I, Br)","Inorganic Chemistry","2004","43","","8361","8366","10.1021/ic048814u","","x-ray","0.71073","MoKα","","","0.0315","","","","0.0697","","","","","","1.002","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312345","10.243","0.004","7.82","0.003","17.913","0.003","90","","105.02","0.02","90","","1385.8","0.8","296.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C28 H24 Cu Fe2 N6 O6 -","- C28 H24 Cu Fe2 N6 O6 -","- C56 H48 Cu2 Fe4 N12 O12 -","2","0.5","","Ryo Horikoshi; Chisato Nambu; Tomoyuki Mochida","Metal-Centered Ferrocene Clusters from 5-Ferrocenylpyrimidine and Ferrocenylpyrazine","Inorganic Chemistry","2003","42","","6868","6875","10.1021/ic034684y","","","0.7107","MoKα","","","0.0395","","","","0.1299","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312361","25.974","0.009","12.469","0.004","11.288","0.003","90","","92.91","0.03","90","","3651","2","296","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C28 H32 F12 N6 O4 P2 Rh2 -","- C28 H24 F12 N6 O4 P2 Rh2 -","- C112 H96 F48 N24 O16 P8 Rh8 -","4","1","","Takashi Yoshimura; Keisuke Umakoshi; Yoichi Sasaki","Structural Studies on the Stepwise Chelating Processes of Bidentate 2-(Aminomethyl)pyridine and Tridentate Bis(2-pyridylmethyl)amine toward an Acetate-Bridged Dirhodium(II) Center","Inorganic Chemistry","2003","42","","7106","7115","10.1021/ic030093w","","","0.71073","MoK-alpha","","","0.05","","","0.064","","","","","3.091","3.091","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312514","13.5366","0.0002","16.8549","0.0002","17.4487","0.0003","90","","104.916","0.0005","90","","3846.92","0.1","150","1","150","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C34 H42 Cl2 Mn N4 O12 -","- C34 H42 Cl2 Mn N4 O12 -","- C136 H168 Cl8 Mn4 N16 O48 -","4","1","","Magdalena M. Makowska-Grzyska; Ewa Szajna; Crystal Shipley; Atta M. Arif; Michael H. Mitchell; Jason A. Halfen; Lisa M. Berreau","First Row Divalent Transition Metal Complexes of Aryl-Appended Tris((pyridyl)methyl)amine Ligands: Syntheses, Structures, Electrochemistry, and Hydroxamate Binding Properties","Inorganic Chemistry","2003","42","","7472","7488","10.1021/ic034810y","","","0.71073","MoKα","","0.0859","0.0565","","","0.1464","0.167","","","","","","1.03","","","","has coordinates","179164","2020-10-21","18:00:00",""
"4312520","14.4377","0.0003","10.8203","0.0003","18.7587","0.0004","90","","110.631","0.0013","90","","2742.56","0.11","150","1","150","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H24 Cl2 N6 O8 Zn -","- C22 H24 Cl2 N6 O8 Zn -","- C88 H96 Cl8 N24 O32 Zn4 -","4","1","","Magdalena M. Makowska-Grzyska; Ewa Szajna; Crystal Shipley; Atta M. Arif; Michael H. Mitchell; Jason A. Halfen; Lisa M. Berreau","First Row Divalent Transition Metal Complexes of Aryl-Appended Tris((pyridyl)methyl)amine Ligands: Syntheses, Structures, Electrochemistry, and Hydroxamate Binding Properties","Inorganic Chemistry","2003","42","","7472","7488","10.1021/ic034810y","","","0.71073","MoKα","","0.05","0.0346","","","0.0806","0.0879","","","","","","1.029","","","","has coordinates","179164","2020-10-21","18:00:00",""
"4312531","13.3749","0.0009","11.0529","0.0009","13.3455","0.0007","90","","43.615","0.002","90","","1360.91","0.17","100","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H30 Mn N10 O10 -","- C20 H30 Mn N10 O10 -","- C40 H60 Mn2 N20 O20 -","2","0.5","","Chigusa Aoki; Takayuki Ishida; Takashi Nogami","Molecular Metamagnet [Ni(4ImNNH)2(NO3)2] (4ImNNH = 4-Imidazolyl Nitronyl Nitroxide) and the Related Compounds Showing Supramolecular H-Bonding Interactions","Inorganic Chemistry","2003","42","","7616","7625","10.1021/ic0349048","","","0.7107","MoKα","","","0.0546","","","","0.1388","","","","","","1.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312532","13.3545","0.0002","10.8843","0.0003","13.3566","0.0005","90","","43.306","0.001","90","","1331.62","0.07","100","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H30 Co N10 O10 -","- C20 H30 Co N10 O10 -","- C40 H60 Co2 N20 O20 -","2","0.5","","Chigusa Aoki; Takayuki Ishida; Takashi Nogami","Molecular Metamagnet [Ni(4ImNNH)2(NO3)2] (4ImNNH = 4-Imidazolyl Nitronyl Nitroxide) and the Related Compounds Showing Supramolecular H-Bonding Interactions","Inorganic Chemistry","2003","42","","7616","7625","10.1021/ic0349048","","","0.7107","MoKα","","","0.0671","","","","0.1797","","","","","","1.913","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312533","13.349","0.0009","10.9253","0.0007","13.297","0.001","90","","43.384","0.002","90","","1332.05","0.17","100","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H30 N10 Ni O10 -","- C20 H30 N10 Ni O10 -","- C40 H60 N20 Ni2 O20 -","2","0.5","","Chigusa Aoki; Takayuki Ishida; Takashi Nogami","Molecular Metamagnet [Ni(4ImNNH)2(NO3)2] (4ImNNH = 4-Imidazolyl Nitronyl Nitroxide) and the Related Compounds Showing Supramolecular H-Bonding Interactions","Inorganic Chemistry","2003","42","","7616","7625","10.1021/ic0349048","","","0.7107","MoKα","","","0.0624","","","","0.1659","","","","","","1.825","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312534","12.7794","0.0007","11.1557","0.0007","13.191","0.001","90","","44.373","0.002","90","","1315.12","0.16","100","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H30 Cu N10 O10 -","- C20 H30 Cu N10 O10 -","- C40 H60 Cu2 N20 O20 -","2","0.5","","Chigusa Aoki; Takayuki Ishida; Takashi Nogami","Molecular Metamagnet [Ni(4ImNNH)2(NO3)2] (4ImNNH = 4-Imidazolyl Nitronyl Nitroxide) and the Related Compounds Showing Supramolecular H-Bonding Interactions","Inorganic Chemistry","2003","42","","7616","7625","10.1021/ic0349048","","","0.7107","MoKα","","","0.0633","","","","0.2061","","","","","","1.985","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312735","12.893","0.003","11.2","0.003","14.06","0.002","90","","102.04","0.05","90","","1985.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H19 N2 O14 Pr -","- C14 H18 N2 O14 Pr -","- C56 H72 N8 O56 Pr4 -","4","1","","Sujit K. Ghosh; Parimal K. Bharadwaj","Coexistence of Water Dimer and Hexamer Clusters in 3D Metal-Organic Framework Structures of Ce(III) and Pr(III) with Pyridine-2,6-dicarboxylic Acid","Inorganic Chemistry","2003","42","","8250","8254","10.1021/ic034976z","","","0.71069","MoKα","","0.0511","0.0437","","","0.1111","0.1161","","","","","","1.033","","","","has coordinates","179166","2020-10-21","18:00:00",""
"4312736","12.953","0.002","11.237","0.002","14.007","0.003","90","","101.86","0.05","90","","1995.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H19 Ce N2 O14 -","- C14 H6 Ce N2 O14 -","- C56 H24 Ce4 N8 O56 -","4","1","","Sujit K. Ghosh; Parimal K. Bharadwaj","Coexistence of Water Dimer and Hexamer Clusters in 3D Metal-Organic Framework Structures of Ce(III) and Pr(III) with Pyridine-2,6-dicarboxylic Acid","Inorganic Chemistry","2003","42","","8250","8254","10.1021/ic034976z","","","0.71073","MoKα","","0.1092","0.0435","","","0.1025","0.119","","","","","","1.03","","","","has coordinates","179166","2020-10-21","18:00:00",""
"4312780","19.4534","0.0004","13.8298","0.0003","19.8218","0.0005","90","","109.189","0.001","90","","5036.5","0.2","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[Rh2(form)2(bpy)2(CH3CN)][BF4]2","","","- C52 H49 B2 F8 N9 Rh2 -","- C52 H49 B2 F8 N9 Rh2 -","- C208 H196 B8 F32 N36 Rh8 -","4","1","","Helen T. Chifotides; Kemal V. Catalan; Kim R. Dunbar","Dirhodium Formamidinate Compounds with Bidentate Nitrogen Chelating Ligands","Inorganic Chemistry","2003","42","","8739","8747","10.1021/ic034737b","","","0.71069","MoKα","","0.1258","0.0589","","","0.086","0.1018","","","","","","1.013","","","","has coordinates,has disorder","179166","2020-10-21","18:00:00",""
"4312966","7.63","0.003","12.559","0.005","18.886","0.007","90","","93","0.03","90","","1807.3","1.2","300","2","300","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[Mn(4-Bzpy)2(3-Cl-C6H4-NCN)2(H2O)2]","","","- C38 H30 Cl2 Mn N6 O4 -","- C38 H30 Cl2 Mn N6 O4 -","- C76 H60 Cl4 Mn2 N12 O8 -","2","0.5","","Albert Escuer; Núria Sanz; Ramon Vicente; Franz A. Mautner","Molecular, 1D, and 2D Systems Built from Phenylcyanamido Ligands. Syntheses, Crystal Structures, and Characterization of Their Magnetic Properties","Inorganic Chemistry","2003","42","","541","551","10.1021/ic025931l","","","0.71069","MoKα","","0.0719","0.0473","","0.1196","0.1001","","","","1.077","1.117","1.117","","","","","has coordinates","179181","2020-10-21","18:00:00",""
"4313082","10.946","0.002","21.052","0.004","11.766","0.001","90","","111.706","0.002","90","","2519.1","0.7","93.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H24 Mo2 S10 -","- C16 H24 Mo2 S10 -","- C64 H96 Mo8 S40 -","4","1","","Takashi Shibahara; Masanobu Tsuboi; Shinsuke Nakaoka; Yasuhiro Ide","Photochromic Isomerization of a Dinuclear Molybdenum Complex with Ethylene-1,2-Dithiolate and Disulfur Ligands: X-ray Structures of the Two Isomers","Inorganic Chemistry","2003","42","","935","937","10.1021/ic020380k","","","0.7107","MoKα","","","0.0991","","","","0.2694","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313220","6.668","0.003","13.963","0.002","18.441","0.003","90","","93.3","0.02","90","","1714.1","0.9","295","","295","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C12 H12 Br N4 O3 S2 V -","- C12 H12 Br N4 O3 S2 V -","- C48 H48 Br4 N16 O12 S8 V4 -","4","1","","Satyabrata Samanta; Dipesh Ghosh; Suman Mukhopadhyay; Akira Endo; Timothy J. R. Weakley; Muktimoy Chaudhury","Oxovanadium(IV) and -(V) Complexes of Dithiocarbazate-Based Tridentate Schiff Base Ligands: Syntheses, Structure, and Photochemical Reactivity of Compounds Involving Imidazole Derivatives as Coligands","Inorganic Chemistry","2003","42","","1508","1517","10.1021/ic020438v","","","0.71073","MoKα","","0.091","0.055","","0.11","","0.057","","","1.89","","","2.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313558","8.055","0.003","10.284","0.004","11.099","0.004","90","","100.69","0.04","90","","903.5","0.6","143","","143","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C4 H7 Bi Cl2 O2 S -","- C4 H7 Bi Cl2 O2 S -","- C16 H28 Bi4 Cl8 O8 S4 -","4","1","","Glen G. Briand; Neil Burford; Melanie D. Eelman; T. Stanley Cameron; Katherine N. Robertson","Synthesis and Structures of the First Bismuth-Ester Complexes Using Heterobifunctional Thiolate Anchored Ligands and Mass Spectrometric Identification of Ligand-Bridged Derivatives","Inorganic Chemistry","2003","42","","3136","3141","10.1021/ic0261934","","","0.7107","MoKα","","0.0939","0.0294","","","0.0668","0.0794","","","","","","0.986","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313640","17.762","0.002","10.2865","0.001","19.579","0.003","90","","110.81","0.01","90","","3343.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C26 H44 B2 I N8 U -","- C26 H44 B2 I N8 U -","- C104 H176 B8 I4 N32 U4 -","4","1","","Leonor Maria; Ângela Domingos; Isabel Santos","Synthesis and Structural Characterization of Unprecedented Bis-Asymmetric Heteroscorpionate U(III) Complexes: [U{κ3-H2B(pztBu,Me)(pzMe,tBu)}2I] and [U{κ3-H2B(pztBu,Me)(pzMe2)}2I]","Inorganic Chemistry","2003","42","","3323","3330","10.1021/ic026210p","","","0.71073","MoKα","","0.1082","0.0559","","","0.0907","0.1139","","","","","","1.072","","","","has coordinates","179198","2020-10-21","18:00:00",""
"4313752","13.262","0.001","21.008","0.002","18.5598","0.0004","90","","108.526","0.0005","90","","4902.9","0.6","297.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C42 H68 N12 Pd2 -","- C42 H68 N12 Pd2 -","- C168 H272 N48 Pd8 -","4","1","","Umakoshi, Keisuke; Yamauchi, Yoko; Nakamiya, Keiko; Kojima, Takashi; Yamasaki, Mikio; Kawano, Hiroyuki; Onishi, Masayoshi","Pyrazolato-Bridged Polynuclear Palladium and Platinum Complexes. Synthesis, Structure, and Reactivity","Inorganic Chemistry","2003","42","12","3907","3916","10.1021/ic026196g","","","0.7107","MoKα","","","0.0357","","","","0.0888","","","","","","1.02","","","","has coordinates","210302","2020-10-21","18:00:00",""
"4313927","10.802","0.0017","30.137","0.004","12.5009","0.0012","90","","97.419","0.01","90","","4035.5","0.9","193","","193","","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C37 H44 B F3 N7 O6 P Ru S -","- C37 H44 B F3 N7 O6 P Ru S -","- C148 H176 B4 F12 N28 O24 P4 Ru4 S4 -","4","1","","David Conner; K. N. Jayaprakash; Michael B. Wells; Selena Manzer; T. Brent Gunnoe; Paul D. Boyle","Octahedral Ru(II) Amido Complexes TpRu(L)(L')(NHR) (Tp = Hydridotris(pyrazolyl)borate; L = L' = P(OMe)3 or PMe3 or L = CO and L' = PPh3; R = H, Ph, ortBu): Synthesis, Characterization, and Reactions with Weakly Acidic C-H Bonds","Inorganic Chemistry","2003","42","","4759","4772","10.1021/ic034410a","","","0.71073","MolybdenumKα","","0.035","0.035","","0.039","0.039","","","","","1.47","1.47","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314099","15.692","0.006","13.804","0.004","16.223","0.005","90","","117.92","0.02","90","","3105.1","1.9","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H22 P S Ti -","- C15 H22 P S Ti -","- C120 H176 P8 S8 Ti8 -","8","2","","Kazutaka Matsuzaki; Hiroyuki Kawaguchi; Peter Voth; Kyoko Noda; Sumitaka Itoh; Hideo D. Takagi; Kazuo Kashiwabara; Kazuyuki Tatsumi","Syntheses and Characterization of Titanium(IV) and Titanium(III) Complexes with (2-Dimethylphosphino)ethane-1-thiolate and (3-Dimethylphosphino)propane-1-thiolate as Ligands","Inorganic Chemistry","2003","42","","5320","5329","10.1021/ic034353l","","","0.7107","MoKα","","","0.049","","","","0.0498","","","","","","2.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314165","10.029","0.007","20.291","0.012","13.907","0.006","90","","95.38","0.05","90","","2818","3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","[tris(2-aminomethyl)pyridine]disilver(I) dihexafluorophosphate","","- C18 H24 Ag2 F12 N6 P2 -","- C18 H24 Ag2 F12 N6 P2 -","- C72 H96 Ag8 F48 N24 P8 -","4","1","","S. Sailaja; M. V. Rajasekharan","Synthesis and Structure of Coordination Polymers of Ag(I) with Isomeric (Aminomethyl)pyridines. Formation of A Novel Circular Helicate and 2-D Networks via Ag...Ag Contacts and Coordination Shell Expansion under Anion Control","Inorganic Chemistry","2003","42","","5675","5684","10.1021/ic0342292","","","0.71073","MoKα","","0.1407","0.0581","","","0.1534","0.1832","","","","","","0.931","","","","has coordinates","179211","2020-10-21","18:00:00",""
"4314181","23.12","0.01","14.394","0.006","8.801","0.004","90","","94.81","0.01","90","","2919","2","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C31 H29 N2 O S3 Tc -","- C31 H29 N2 O S3 Tc -","- C124 H116 N8 O4 S12 Tc4 -","4","1","","Maria Papachristou; Ioannis C. Pirmettis; Charalambos Tsoukalas; Dionyssia Papagiannopoulou; Catherine Raptopoulou; Aris Terzis; Chariklia I. Stassinopoulou; Efstratios Chiotellis; Maria Pelecanou; Minas Papadopoulos","Synthesis and Characterization of Novel Oxotechnetium (99Tc and 99mTc) and Oxorhenium Complexes from the 2,2'-Bipyridine (NN)/Thiol (S) Mixed-Ligand System","Inorganic Chemistry","2003","42","","5778","5784","10.1021/ic034368j","","","0.71073","MoKα","","0.0573","0.0376","","0.1039","0.0921","","","","1.041","1.082","1.082","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4314182","23.018","0.009","14.421","0.005","8.775","0.003","90","","94.78","0.01","90","","2902.7","1.8","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C31 H29 N2 O Re S3 -","- C31 H29 N2 O Re S3 -","- C124 H116 N8 O4 Re4 S12 -","4","1","","Maria Papachristou; Ioannis C. Pirmettis; Charalambos Tsoukalas; Dionyssia Papagiannopoulou; Catherine Raptopoulou; Aris Terzis; Chariklia I. Stassinopoulou; Efstratios Chiotellis; Maria Pelecanou; Minas Papadopoulos","Synthesis and Characterization of Novel Oxotechnetium (99Tc and 99mTc) and Oxorhenium Complexes from the 2,2'-Bipyridine (NN)/Thiol (S) Mixed-Ligand System","Inorganic Chemistry","2003","42","","5778","5784","10.1021/ic034368j","","","0.71073","MoKα","","0.049","0.0387","","0.1091","0.1003","","","","1.063","1.075","1.075","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4314242","15.7673","0.0004","10.5813","0.0003","16.771","0.0005","90","","99.9216","0.0009","90","","2756.2","0.13","150","","150","","","","","","","","?","6","P 1 21/a 1","-P 2yab","14","","","","- C6 H21 N3 O25.5 S4 U2 -","- C6 H21 N3 O25.5 S4 U2 -","- C24 H84 N12 O102 S16 U8 -","4","1","","Alexander J. Norquist; Michael B. Doran; Paul M. Thomas; Dermot O'Hare","Controlled Structural Variations in Templated Uranium Sulfates","Inorganic Chemistry","2003","42","","5949","5953","10.1021/ic034343k","","","0.71073","MoKα","","","0.031","","","","0.0725","","","","","","0.8453","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314247","17.8592","0.0009","12.436","0.0005","21.702","0.001","90","","103.486","0.001","90","","4687","0.4","100.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[Mn(hfac)2.hnn]","4,4,5,5-tetramethylimidazolin-1-oxyl 3-oxide manganese(II) 1,1,1,5,5,5-hexafluoropentane-2,4-dionate polymer","","- C17 H15 F12 Mn N2 O6 -","- C17 H15 F12 Mn N2 O6 -","- C136 H120 F96 Mn8 N16 O48 -","8","2","","Tomoaki Ise; Takayuki Ishida; Daisuke Hashizume; Fujiko Iwasaki; Takashi Nogami","Ferro- and Ferrimagnetic Chains of hin-Bridged Copper(II) and Manganese(II) and hnn-Bridged Manganese(II) Complexes (hin = 4,4,5,5-Tetramethylimidazolin-1-oxyl; hnn = 4,4,5,5-Tetramethylimidazolin-1-oxyl 3-Oxide)","Inorganic Chemistry","2003","42","","6106","6113","10.1021/ic034392x","","","0.7107","MoKα","","","0.0682","","","","0.2001","","","","","","0.957","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314312","6.54","0.003","26.966","0.01","8.068","0.002","90","","110.51","0.03","90","","1332.7","0.9","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C9 H8 Cs N2 O3 S2 V -","- C9 H8 Cs N2 O3 S2 V -","- C36 H32 Cs4 N8 O12 S8 V4 -","4","1","","Satyabrata Samanta; Suman Mukhopadhyay; Debdas Mandal; Ray J. Butcher; Muktimoy Chaudhury","Adduct Formation between Alkali Metal Ions and Anionic LVVO2- (L2- = Tridentate ONS Ligands) Species: Syntheses, Structural Investigation, and Photochemical Studies","Inorganic Chemistry","2003","42","","6284","6293","10.1021/ic030080i","","","0.71073","MoKα","","0.1002","0.0624","","","0.1373","0.1549","","","","","","1.041","","","","has coordinates","179216","2020-10-21","18:00:00",""
"4314331","13.262","0.001","21.008","0.002","18.5598","0.0004","90","","108.526","0.0005","90","","4902.9","0.6","297.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C42 H68 N12 Pd2 -","- C42 H68 N12 Pd2 -","- C168 H272 N48 Pd8 -","4","1","","Umakoshi, Keisuke; Yamauchi, Yoko; Nakamiya, Keiko; Kojima, Takashi; Yamasaki, Mikio; Kawano, Hiroyuki; Onishi, Masayoshi","Pyrazolato-Bridged Polynuclear Palladium and Platinum Complexes. Synthesis, Structure, and Reactivity","Inorganic Chemistry","2003","42","20","6584","6584","10.1021/ic030215k","","","0.7107","MoKα","","","0.0357","","","","0.0888","","","","","","1.02","","","","has coordinates","210296","2020-10-21","18:00:00",""
"4314401","18.5881","0.0004","19.6427","0.0004","10.4897","0.0002","90","","90.4537","0.0011","90","","3829.88","0.13","150","1","150","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C45 H35 Cl N4 Ni O7 -","- C45 H35 Cl N4 Ni O7 -","- C180 H140 Cl4 N16 Ni4 O28 -","4","1","","Katarzyna Grubel; Katarzyna Rudzka; Atta M. Arif; Katie L. Klotz; Jason A. Halfen; Lisa M. Berreau","Synthesis, Characterization, and Ligand Exchange Reactivity of a Series of First Row Divalent Metal 3-Hydroxyflavonolate Complexes","Inorganic Chemistry","2010","49","","82","96","10.1021/ic901405h","","","0.71073","MoKα","","0.1014","0.0576","","","0.1087","0.1255","","","","","","1.036","","","","has coordinates,has disorder","179218","2020-10-21","18:00:00",""
"4315539","18.5182","0.0011","12.3375","0.0006","22.096","0.0014","90","","93.224","0.003","90","","5040.2","0.5","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C36 H86 O10 S2 Sn4 -","- C36 H86 O10 S2 Sn4 -","- C144 H344 O40 S8 Sn16 -","4","1","","Ravi Shankar; Archana Jain; Gabriele Kociok-Köhn; Mary F. Mahon; Kieran C. Molloy","Cleavage of Sn-C and S-CalkylBonds on an Organotin Scaffold: Synthesis and Characterization of a Novel Organotin-Sulfite Cluster Bearing Methyltin- and Dimethyltin Fragments","Inorganic Chemistry","2010","49","","4708","4715","10.1021/ic100465u","","","0.71073","MoKα","","0.1557","0.0764","","","0.1458","0.1693","","","","","","1.064","","","","has coordinates,has disorder","179235","2020-10-21","18:00:00",""
"4315575","24.2549","0.0019","20.8237","0.0014","27.881","0.002","90","","103.137","0.003","90","","13713.5","1.7","223","2","223","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C112 H104 In10 N20 Ni3 O7 S20 -","- C112 H72 In10 N20 Ni3 O7 S20 -","- C448 H288 In40 N80 Ni12 O28 S80 -","4","1","","Zhi-Xin Lei; Qin-Yu Zhu; Xu Zhang; Wen Luo; Wen-Qin Mu; Jie Dai","Indium-Sulfur Supertetrahedral Clusters Integrated with a Metal Complex of 1,10-Phenanthroline","Inorganic Chemistry","2010","49","","4385","4387","10.1021/ic902572m","","","0.71075","MoKα","","0.0947","0.0747","","","0.1553","0.1685","","","","","","1.041","","","","has coordinates","179235","2020-10-21","18:00:00",""
"4315723","9.3229","0.0002","9.2897","0.0003","17.4537","0.0005","90","","92.992","0.002","90","","1509.55","0.07","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H12 Cl2 N4 Pt -","- C14 H12 Cl2 N4 Pt -","- C56 H48 Cl8 N16 Pt4 -","4","1","","Damijana Urankar; Balazs Pinter; Andrej Pevec; Frank De Proft; Iztok Turel; Janez Košmrlj","Click-Triazole N2 Coordination to Transition-Metal Ions Is Assisted by a Pendant Pyridine Substituent","Inorganic Chemistry","2010","49","","4820","4829","10.1021/ic902354e","","","0.71073","MoKα","","0.0334","0.0285","","","0.0761","0.08","","","","","","1.039","","","","has coordinates","179237","2020-10-21","18:00:00",""
"4315726","11.7266","0.0003","18.6948","0.0005","12.1187","0.0002","90","","93.603","0.002","90","","2651.49","0.11","293","2","293","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C25 H26 Cl F3 N4 O3 Ru S -","- C25 H26 Cl F3 N4 O3 Ru S -","- C100 H104 Cl4 F12 N16 O12 Ru4 S4 -","4","1","","Damijana Urankar; Balazs Pinter; Andrej Pevec; Frank De Proft; Iztok Turel; Janez Košmrlj","Click-Triazole N2 Coordination to Transition-Metal Ions Is Assisted by a Pendant Pyridine Substituent","Inorganic Chemistry","2010","49","","4820","4829","10.1021/ic902354e","","","0.71073","MoKα","","0.085","0.0562","","","0.1478","0.1676","","","","","","1.033","","","","has coordinates","179237","2020-10-21","18:00:00",""
"4316001","13.1104","0.0004","11.2959","0.0003","18.1129","0.0005","90","","102.874","0.001","90","","2614.98","0.13","115","2","115","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H30 Cu4 I4 S3 -","- C12 H30 Cu4 I4 S3 -","- C48 H120 Cu16 I16 S12 -","4","1","","Michael Knorr; Abdoulaye Pam; Abderrahim Khatyr; Carsten Strohmann; Marek M. Kubicki; Yoann Rousselin; Shawkat M. Aly; Daniel Fortin; Pierre D. Harvey","Reactivity of CuI and CuBr toward Et2S: a Reinvestigation on the Self-Assembly of Luminescent Copper(I) Coordination Polymers","Inorganic Chemistry","2010","49","","5834","5844","10.1021/ic901906h","","","0.71073","MoKα","","0.0336","0.0305","","","0.0661","0.0676","","","","","","1.189","","","","has coordinates","179240","2020-10-21","18:00:00",""
"4316002","13.1469","0.0004","11.4443","0.0003","18.3143","0.0006","90","","103.42","0.001","90","","2680.28","0.14","235","2","235","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H30 Cu4 I4 S3 -","- C12 H30 Cu4 I4 S3 -","- C48 H120 Cu16 I16 S12 -","4","1","","Michael Knorr; Abdoulaye Pam; Abderrahim Khatyr; Carsten Strohmann; Marek M. Kubicki; Yoann Rousselin; Shawkat M. Aly; Daniel Fortin; Pierre D. Harvey","Reactivity of CuI and CuBr toward Et2S: a Reinvestigation on the Self-Assembly of Luminescent Copper(I) Coordination Polymers","Inorganic Chemistry","2010","49","","5834","5844","10.1021/ic901906h","","","0.71073","MoKα","","0.0473","0.0376","","","0.0786","0.0836","","","","","","1.131","","","","has coordinates","179240","2020-10-21","18:00:00",""
"4316003","13.159","0.0004","11.5203","0.0003","18.3708","0.0006","90","","103.854","0.001","90","","2703.92","0.14","275","2","275","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H30 Cu4 I4 S3 -","- C12 H30 Cu4 I4 S3 -","- C48 H120 Cu16 I16 S12 -","4","1","","Michael Knorr; Abdoulaye Pam; Abderrahim Khatyr; Carsten Strohmann; Marek M. Kubicki; Yoann Rousselin; Shawkat M. Aly; Daniel Fortin; Pierre D. Harvey","Reactivity of CuI and CuBr toward Et2S: a Reinvestigation on the Self-Assembly of Luminescent Copper(I) Coordination Polymers","Inorganic Chemistry","2010","49","","5834","5844","10.1021/ic901906h","","","0.71073","MoKα","","0.0597","0.0456","","","0.0938","0.1007","","","","","","1.14","","","","has coordinates","179240","2020-10-21","18:00:00",""
"4316196","14.061","0.0001","21.128","0.0002","14.651","0.0001","90","","114.08","0.002","90","","3973.76","0.08","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C39 H64 Hf N2 O4 -","- C39 H64 Hf N2 O4 -","- C156 H256 Hf4 N8 O16 -","4","1","","Emma L. Whitelaw; Matthew D. Jones; Mary F. Mahon","Group 4 Salalen Complexes and Their Application for the Ring-Opening Polymerization of rac-Lactide","Inorganic Chemistry","2010","49","","7176","7181","10.1021/ic1010488","","","0.71073","MoKα","","0.0312","0.0246","","","0.0563","0.0592","","","","","","1.073","","","","has coordinates,has disorder","179241","2020-10-21","18:00:00",""
"4316217","12.069","0.0001","36.74","0.0003","12.133","0.0001","90","","109.006","0.001","90","","5086.66","0.08","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C56 H48 Cl5 O P3 Ru -","- C56 H48 Cl5 O P3 Ru -","- C224 H192 Cl20 O4 P12 Ru4 -","4","1","","Araminta E. W. Ledger; Aitor Moreno; Charles E. Ellul; Mary F. Mahon; Paul S. Pregosin; Michael K. Whittlesey; Jonathan M. J. Williams","Pincer Phosphine Complexes of Ruthenium: Formation of Ru(P-O-P)(PPh3)HCl (P-O-P = xantphos, DPEphos, (Ph2PCH2CH2)2O) and Ru(dppf)(PPh3)HCl and Characterization of Cationic Dioxygen, Dihydrogen, Dinitrogen, and Arene Coordinated Phosphine Products","Inorganic Chemistry","2010","49","","7244","7256","10.1021/ic100438d","","","0.71073","MoKα","","0.0588","0.0432","","","0.1038","0.1126","","","","","","1.018","","","","has coordinates,has disorder","179242","2020-10-21","18:00:00",""
"4316219","18.454","0.0002","20.401","0.0003","22.491","0.0003","90","","94.387","0.001","90","","8442.6","0.19","150","2","150","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C92.6 H62 B Cl0 F24 O2 P3 Ru -","- C92.6 H62 B F24 O2 P3 Ru -","- C370.4 H248 B4 F96 O8 P12 Ru4 -","4","1","","Araminta E. W. Ledger; Aitor Moreno; Charles E. Ellul; Mary F. Mahon; Paul S. Pregosin; Michael K. Whittlesey; Jonathan M. J. Williams","Pincer Phosphine Complexes of Ruthenium: Formation of Ru(P-O-P)(PPh3)HCl (P-O-P = xantphos, DPEphos, (Ph2PCH2CH2)2O) and Ru(dppf)(PPh3)HCl and Characterization of Cationic Dioxygen, Dihydrogen, Dinitrogen, and Arene Coordinated Phosphine Products","Inorganic Chemistry","2010","49","","7244","7256","10.1021/ic100438d","","","0.71073","MoKα","","0.0761","0.0502","","","0.1184","0.1382","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4316220","13.277","0.0001","40.204","0.0004","17.205","0.0002","90","","97.14","","90","","9112.61","0.16","150","2","150","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C89.5 H61 B Cl F24 O3 P3 Ru -","- C89 H60 B F24 O3 P3 Ru -","- C356 H240 B4 F96 O12 P12 Ru4 -","4","1","","Araminta E. W. Ledger; Aitor Moreno; Charles E. Ellul; Mary F. Mahon; Paul S. Pregosin; Michael K. Whittlesey; Jonathan M. J. Williams","Pincer Phosphine Complexes of Ruthenium: Formation of Ru(P-O-P)(PPh3)HCl (P-O-P = xantphos, DPEphos, (Ph2PCH2CH2)2O) and Ru(dppf)(PPh3)HCl and Characterization of Cationic Dioxygen, Dihydrogen, Dinitrogen, and Arene Coordinated Phosphine Products","Inorganic Chemistry","2010","49","","7244","7256","10.1021/ic100438d","","","0.71073","MoKα","","0.147","0.0963","","","0.2347","0.2625","","","","","","1.11","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4317294","9.396","0.0006","15.6032","0.0007","10.0489","0.0007","90","","94.957","0.005","90","","1467.74","0.15","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Br2 Hg N4 -","- C10 H10 Br2 Hg N4 -","- C40 H40 Br8 Hg4 N16 -","4","1","","Behrouz Notash; Nasser Safari; Hamid Reza Khavasi","Anion-Directed Self-Assembly in Coordination Networks: Architectural Control via Cooperative Noncovalent Interactions","Inorganic Chemistry","2010","49","","11415","11420","10.1021/ic101387c","","","0.71073","MoKα","","0.0909","0.0838","","","0.2243","0.2311","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317849","10.929","0.014","13.514","0.017","11.299","0.016","90","","90.52","0.01","90","","1669","4","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C20 H38 Cl4 N4 O4 Ru2 S6 -","- C20 H38 Cl4 N4 O4 Ru2 S6 -","- C40 H76 Cl8 N8 O8 Ru4 S12 -","2","0.5","","Cordélia S. Araújo; Michael G. B. Drew; Vítor Félix; Lorna Jack; João Madureira; Mike Newell; Sue Roche; Teresa M. Santos; Jim A. Thomas; Lesley Yellowlees","RuII Electron Transfer Systems Containing S-Donor Ligands","Inorganic Chemistry","2002","41","","2250","2259","10.1021/ic010882i","","","0.71073","MoKα","","0.1296","0.0781","","","0.1897","0.2139","","","","","","1.074","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4317985","7.955","0.009","24.05","0.008","8.223","0.006","90","","112.24","0.06","90","","1456","2","296.2","","296.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H36 N4 O22 U2 -","- C12 H28 N4 O22 U2 -","- C24 H56 N8 O44 U4 -","2","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","","0.1093","0.0417","","0.0431","0.0344","","","","2.155","2.023","2.023","","","","","has coordinates","209475","2020-10-21","18:00:00",""
"4318151","15.8941","0.0005","9.3054","0.0002","19.8964","0.0007","90","","99.3345","0.0012","90","","2903.73","0.15","200","1","200","1","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C23 H35 Cl N4 O7 S2 Zn -","- C23 H35 Cl N4 O7 S2 Zn -","- C92 H140 Cl4 N16 O28 S8 Zn4 -","4","1","","Dewain K. Garner; Russell A. Allred; Kyle J. Tubbs; Atta M. Arif; Lisa M. Berreau","Synthesis and Characterization of Mononuclear Zinc Aryloxide Complexes Supported by Nitrogen/Sulfur Ligands Possessing an Internal Hydrogen Bond Donor","Inorganic Chemistry","2002","41","","3533","3541","10.1021/ic020031q","","","0.71073","MoKα","","0.0783","0.0467","","","0.0984","0.11","","","","","","1.027","","","","has coordinates","179261","2020-10-21","18:00:00",""
"4318153","15.2217","0.0002","9.6944","0.0002","20.6876","0.0004","90","","97.0568","0.0007","90","","3029.65","0.09","200","1","200","1","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C26 H39 Cl N4 O5 S2 Zn -","- C26 H39 Cl N4 O5 S2 Zn -","- C104 H156 Cl4 N16 O20 S8 Zn4 -","4","1","","Dewain K. Garner; Russell A. Allred; Kyle J. Tubbs; Atta M. Arif; Lisa M. Berreau","Synthesis and Characterization of Mononuclear Zinc Aryloxide Complexes Supported by Nitrogen/Sulfur Ligands Possessing an Internal Hydrogen Bond Donor","Inorganic Chemistry","2002","41","","3533","3541","10.1021/ic020031q","","","0.71073","MoKα","","0.0995","0.0476","","","0.095","0.1132","","","","","","1.022","","","","has coordinates","179261","2020-10-21","18:00:00",""
"4318225","25.0752","0.0005","10.6732","0.00029","28.1601","0.00059","90","","95.1951","0.0016","90","","7505.6","0.3","100","","100","","","","","","","","?","6","P 1 21/a 1","-P 2yab","14","","","","- C54 H36 Cl4 Cr N6 S34 -","- C53.988 H31.992 Cl4 Cr N6 S33.99 -","- C215.952 H127.968 Cl16 Cr4 N24 S135.96 -","4","1","","Fatima Setifi; Lahcène Ouahab; Stéphane Golhen; Olivier Hernandez; Akira Miyazaki; Toshiaki Enoki; Takashi Toita; Jun-ichi Yamada; Hiroyuki Nishikawa; Andrzej Łapiński; Roman Świetlik","New Tetrathiapentalene-Derived Charge Transfer Salts with Paramagnetic Transition Metal Complex Anion: κ-(EDDH-TTP)3[Cr(phen)(NCS)4].2CH2Cl2 and κ21-(BDH-TTP)5[Cr(phen)(NCS)4]2.2CH2Cl2","Inorganic Chemistry","2002","41","","3761","3768","10.1021/ic0255961","","","0.71073","MoKα","","","0.0585","","","","0.064","","","","","","1.2034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318226","23.8275","0.0004","9.1015","0.0002","27.042","0.00012","90","","99.9297","0.0008","90","","5776.64","0.16","120","2","120","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C42 H28 Cl2 Cr N6 S24 -","- C41.96 H27.92 Cl2.161 Cr N6 S24 -","- C167.84 H111.68 Cl8.644 Cr4 N24 S96 -","4","1","","Fatima Setifi; Lahcène Ouahab; Stéphane Golhen; Olivier Hernandez; Akira Miyazaki; Toshiaki Enoki; Takashi Toita; Jun-ichi Yamada; Hiroyuki Nishikawa; Andrzej Łapiński; Roman Świetlik","New Tetrathiapentalene-Derived Charge Transfer Salts with Paramagnetic Transition Metal Complex Anion: κ-(EDDH-TTP)3[Cr(phen)(NCS)4].2CH2Cl2 and κ21-(BDH-TTP)5[Cr(phen)(NCS)4]2.2CH2Cl2","Inorganic Chemistry","2002","41","","3761","3768","10.1021/ic0255961","","","0.71073","MoKα","","0.1335","0.053","","","0.1196","0.166","","","","","","0.992","","","","has coordinates,has disorder","179262","2020-10-21","18:00:00",""
"4318342","15.112","0.003","21.515","0.006","21.445","0.002","90","","94.76","0.01","90","","6948","2","296.2","","296.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C29 H40 N2 S6 W2 -","- C29 H40 N2 S6 W2 -","- C232 H320 N16 S48 W16 -","8","2","","Rong Cao; Kazuyuki Tatsumi","Alkylation Reactions of [WS4]2- and [(η5-C5Me5)WS3]- with 2,6-Bis(bromomethyl)pyridine: The First Isolation of Bisalkylated Tetrathiometalate WS2{2,6-(SCH2)2(C5H3N)}","Inorganic Chemistry","2002","41","","4102","4104","10.1021/ic0256258","","","0.7107","MoKα","","0.0556","0.0556","","","0.0562","0.0562","","","","","","1.24","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318468","18.3963","","14.8554","","23.0908","","90","","102","","90","","6172.46","","273.2","","273.2","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C31 H27 Cl F3 Fe N5 O6 S -","- C31 H27 Cl F3 Fe N5 O6 S -","- C248 H216 Cl8 F24 Fe8 N40 O48 S8 -","8","2","","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","","","0.7109","MoKα","","","0.051","","","","0.057","","","","","","3.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318763","12.106","0.004","15.625","0.005","24.315","0.008","90","","100.984","0.004","90","","4515","3","173.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C44 H59 Cl Cr N3 O10 -","- C44 H54 Cl Cr N3 O10 -","- C176 H216 Cl4 Cr4 N12 O40 -","4","1","","Kazushi Shiren; Koji Tanaka","Acid-Base Equilibrium of Aqua-Chromium-Dioxolene Complexes Aimed at Formation of Oxo-Chromium Complexes","Inorganic Chemistry","2002","41","","5912","5919","10.1021/ic020308m","","","0.7107","MoKα","","","0.0824","","","","0.1657","","","","","","1.7","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318766","12.473","0.001","12.2879","0.0008","17.138","0.001","90","","104.08","0.004","90","","2547.8","0.3","173.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C21 H15 Cl5 Cr N3 O8 -","- C21 H11 Cl5 Cr N3 O8 -","- C84 H44 Cl20 Cr4 N12 O32 -","4","1","","Kazushi Shiren; Koji Tanaka","Acid-Base Equilibrium of Aqua-Chromium-Dioxolene Complexes Aimed at Formation of Oxo-Chromium Complexes","Inorganic Chemistry","2002","41","","5912","5919","10.1021/ic020308m","","","0.7107","MoKα","","","0.0556","","","","0.1558","","","","","","1.73","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319012","16.9725","0.0003","20.8445","0.0003","21.5041","0.0004","90","","94.66","0.0006","90","","7582.6","0.2","170","2","170","2","","","","","","","synthesized by authors","6","P 1 21/a 1","-P 2yab","14","","","","- C64 H112 Li8 N8 O6 P4 -","- C64 H112 Li8 N8 O6 P4 -","- C256 H448 Li32 N32 O24 P16 -","4","1","","Glen G. Briand; Tristram Chivers; Mark Krahn; Masood Parvez","Synthesis and X-ray Structures of Dilithium Complexes of the Phosphonate Anions [PhP(E)(NtBu)2]2- (E = O, S, Se, Te) and Dimethylaluminum Derivatives of [PhP(E)(NtBu)(NHtBu)]- (E = S, Se)","Inorganic Chemistry","2002","41","","6808","6815","10.1021/ic020471h","","","0.71073","MoKα","","0.0875","0.0528","","","0.13","0.1501","","","","","","0.995","","","","has coordinates,has disorder","179270","2020-10-21","18:00:00",""
"4319028","15.1058","0.0002","9.9859","0.0003","18.2415","0.0005","90","","109.724","0.0016","90","","2590.2","0.11","200","0.1","200","0.1","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C17 H31 Cd Cl2 N3 O8 S2 -","- C17 H31 Cd Cl2 N3 O8 S2 -","- C68 H124 Cd4 Cl8 N12 O32 S8 -","4","1","","Russell A. Allred; Lenore H. McAlexander; Atta M. Arif; Lisa M. Berreau","Chemistry of a Binuclear Cadmium(II) Hydroxide Complex: Formation from Water, CO2 Reactivity, and Comparison to a Zinc Analog","Inorganic Chemistry","2002","41","","6790","6801","10.1021/ic0258072","","","0.71073","MoKα","","0.0616","0.0408","","","0.0906","0.1003","","","","","","1.026","","","","has coordinates,has disorder","179270","2020-10-21","18:00:00",""
"4319107","13.472","0.001","20.5443","0.0005","17.6961","0.0003","90","","110.432","0.0004","90","","4589.7","0.4","296.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H20 Br12 Co2 Cr O6 -","- C38 H20 Br12 Co2 Cr O6 -","- C152 H80 Br48 Co8 Cr4 O24 -","4","1","","Ho-Chol Chang; Hitoshi Miyasaka; Susumu Kitagawa","New Molecular Assemblies of Redox Isomers, [CrIII(X4SQ)3-n (X4Cat)n]-n(X = Cl and Br; n = 0, 1, and 2), with Metallocenium Cations, [MIIICp2]+ (M = Co and Fe): X-ray Crystal Structures and Physical Properties","Inorganic Chemistry","2001","40","","146","156","10.1021/ic0003832","","","0.7107","MoKα","","","0.0379","","","","0.041","","","","","","1.379","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319366","15.204","0.005","7.681","0.0007","29.37","0.01","90","","100.42","0.02","90","","3373.3","1.6","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C13 H44 Cl4 Cu2 N6 O21 -","- C13 H44 Cl4 Cu2 N6 O21 -","- C52 H176 Cl16 Cu8 N24 O84 -","4","1","","Paul V. Bernhardt","Diverse Solid-State and Solution Structures within a Series of Hexaamine Dicopper(II) Complexes","Inorganic Chemistry","2001","40","","1086","1092","10.1021/ic000928s","","","0.71073","MoKα","","0.1302","0.0668","","","0.1876","0.2338","","","","","","1.01","","","","has coordinates,has disorder","179273","2020-10-21","18:00:00",""
"4319680","21.405","0.007","18.896","0.004","21.55","0.01","90","0.03","116.24","0.02","90","0.02","7818","5","298.2","","298.2","","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C71 Cl5 F3 Fe N6 O3 P4 Re S -","- C71 H92 Cl5 F3 Fe N6 O3 P4 Re S -","- C284 H368 Cl20 F12 Fe4 N24 O12 P16 Re4 S4 -","4","1","","Qian-Feng Zhang; Joyce L. C. Chim; Willetta Lai; Wing-Tak Wong; Wa-Hung Leung","Bridged Dinitrogen Complexes of Iron and Chromium Porphyrins","Inorganic Chemistry","2001","40","","2470","2471","10.1021/ic001341g","","","0.7107","MoKalpha","","","0.0811","","","0.0871","","","","","2.808","2.808","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319865","8.542","0.002","13.712","0.006","11.76","0.01","90","","102.6","0.04","90","","1344.3","1.3","293","","293","","","","","","","","see paper","5","P 1 21/a 1","-P 2yab","14","beta-1 phase","Di-mu-chlorotetrakis(1-methylboratabenzene)diyttrium","","- C24 H32 B4 Cl2 Y2 -","- C24 H32 B4 Cl2 Y2 -","- C48 H64 B8 Cl4 Y4 -","2","0.5","","Xiaolai Zheng; Bing Wang; Ulli Englert; Gerhard E. Herberich","Three Conformational Polymorphs of Di-μ-chlorotetrakis(1-methylboratabenzene)diyttrium: Synthesis, X-ray Structures, Quantum Chemical Calculations, and Lattice Energy Minimizations1","Inorganic Chemistry","2001","40","","3117","3123","10.1021/ic0014641","","","0.56087","Ag-Kα","","0.1159","0.0386","","","0.0426","0.049","","","","","","0.712","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4320366","7.2949","0.0002","15.7167","0.0005","16.6267","0.0004","90","","100.062","0.0007","90","","1876.96","0.09","123.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C21 H24 Cu N3 O2 -","- C21 H24 Cu N3 O2 -","- C84 H96 Cu4 N12 O8 -","4","1","","Seiji Yokota; Yoshimitsu Tachi; Nagatoshi Nishiwaki; Masahiro Ariga; Shinobu Itoh","A New β-Diketiminate Ligand Carrying a Functional Group on the Carbon Framework. Synthesis and Characterization of a Linear Polymeric Copper(I) Complex","Inorganic Chemistry","2001","40","","5316","5317","10.1021/ic0155535","","","0.7107","MoKα","","","0.031","","","","0.046","","","","","","0.862","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320796","16.4","0.005","8.24","0.003","16.908","0.004","90","","113.93","0.02","90","","2088.5","1.2","296.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C24 H20 O Ru Se Zr -","- C24 O Ru Se Zr -","- C96 O4 Ru4 Se4 Zr4 -","4","1","","Yusuke Sunada; Yuji Hayashi; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Alkynethiolato and Alkyneselenolato Ruthenium Half-Sandwich Complexes: Synthesis, Structures, and Reactions with (η5-C5H5)2Zr","Inorganic Chemistry","2001","40","","7072","7078","10.1021/ic010826h","","","0.7107","MoKα","","","0.0399","","","","0.041","","","","","","1.637","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320886","7.316","0.002","29.508","0.005","12.9095","0.0015","90","","101.304","0.016","90","","2732.8","0.9","293","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C28 H18 F6 N4 O2 S2 -","- C28 H18 F6 N4 O2 S2 -","- C112 H72 F24 N16 O8 S8 -","4","1","","Tristram Chivers; Monica P. Gibson; Masood Parvez; Ignacio Vargas-Baca","Eight- and 16-Membered Cyanuric-Sulfanuric Ring Systems: C2N4S2→C2N3S Ring Contraction","Inorganic Chemistry","2000","39","","1697","1704","10.1021/ic991314u","","","0.71069","MoKα","","0.2664","0.0851","","","0.2493","0.3585","","","","","","0.954","","","","has coordinates,has disorder","179311","2020-10-21","18:00:00",""
"4320943","14.821","0.005","10.27","0.004","17.663","0.006","90","","108.87","0.03","90","","2544","1.6","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H38 Cl3 N5 Ni2 O2 -","- C16.5 H27 Cl3 N5 Ni2 O4 -","- C66 H108 Cl12 N20 Ni8 O16 -","4","1","","Paolo Dapporto; Mauro Formica; Vieri Fusi; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Paolo Romani; Patrizia Rossi","Polyamine Macrocycles Incorporating a Phenolic Function: Their Synthesis, Basicity, and Coordination Behavior toward Metal Cations. Crystal Structure of a Binuclear Nickel Complex","Inorganic Chemistry","2000","39","","2156","2163","10.1021/ic991291j","","","0.71069","MoKα","","0.2031","0.0973","","0.2794","0.2136","","","","1.05","1.193","1.193","","","","","has coordinates","179312","2020-10-21","18:00:00",""
"4321089","26.273","0.003","9.73","0.003","31.526","0.003","90","","112.12","0.02","90","","7466","3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Ag(dmb)2 DCTC","","- C70 H80 Ag2 N14 O2 -","- C70 H80 Ag2 N14 O2 -","- C280 H320 Ag8 N56 O8 -","4","1","","Daniel Fortin; Marc Drouin; Pierre D. Harvey","Preparation and Characterization of {[M(dmb)2]TCNQ.xTCNQ° }n Polymers (M = Cu,Ag; dmb = 1,8-Diisocyano-p-menthane; x = 0, 0.5, 1.0, 1.5; TCNQ = 7,7,8,8-Tetracyano-p-quinodimethane) and Design of New Semi- and Photoconducting Organometallic Materials","Inorganic Chemistry","2000","39","","2758","2769","10.1021/ic990975o","","","1.5406","CuKa","","0.2301","0.1346","","","0.2999","0.3243","","","","","","1.473","","","","has coordinates","179313","2020-10-21","18:00:00",""
"4321092","11.592","0.001","30.953","0.004","11.799","0.002","90","","94.312","0.007","90","","4221.6","1","298","","","","","","","","","","Local laboratory","7","P 1 21/a 1","-P 2yab","14","","","","- C38 H42 F6 N2 O5 P3 Re -","- C38 H42 F6 N2 O5 P3 Re -","- C152 H168 F24 N8 O20 P12 Re4 -","4","1","","Kazuhide Koike; Junji Tanabe; Shigeki Toyama; Hideaki Tsubaki; Kazuhiko Sakamoto; Jeremy R. Westwell; Frank P. A. Johnson; Hisao Hori; Hideki Saitoh; Osamu Ishitani","New Synthetic Routes to Biscarbonylbipyridinerhenium(I) Complexes cis,trans-[Re(X2bpy)(CO)2(PR3)(Y)]n+ (X2bpy = 4,4'-X2-2,2'-bipyridine) via Photochemical Ligand Substitution Reactions, and Their Photophysical and Electrochemical Properties","Inorganic Chemistry","2000","39","","2777","2783","10.1021/ic991190l","","","0.71073","MoK-alpha","","","0.066","","","0.058","","","","","2.813","2.813","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321230","13.5753","0.0011","16.3","0.002","7.499","0.0007","90","","102.258","0.007","90","","1621.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Compound 13d","","","- C12 H16 Cl N2 S3 V -","- C12 H15.568 Cl N2 S3 V -","- C48 H62.272 Cl4 N8 S12 V4 -","4","1","","Sian C. Davies; David L. Hughes; Zofia Janas; Lucjan B. Jerzykiewicz; Raymond L. Richards; J. Roger Sanders; James E. Silverston; Piotr Sobota","Vanadium Complexes of the N(CH2CH2S)33- and O(CH2CH2S)22- Ligands with Coligands Relevant to Nitrogen Fixation Processes","Inorganic Chemistry","2000","39","","3485","3498","10.1021/ic9909476","","","0.71069","MoKα","","0.0348","0.0275","","0.0748","0.0698","","","","1.081","1.11","1.11","","","","","has coordinates,has disorder","179315","2020-10-21","18:00:00",""
"4321263","23.743","0.003","9.7522","0.0005","27.731","0.002","90","","114.58","0.01","90","","5839.2","1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H22 Cl2 Cu2 N4 O14 -","- C46 H36 Cl4 Cu4 N8 O28 -","- C184 H144 Cl16 Cu16 N32 O112 -","4","1","","Catalina Ruiz-Pérez; María Hernández-Molina; Pablo Lorenzo-Luis; Francesc Lloret; Juan Cano; Miguel Julve","Magnetic Coupling through the Carbon Skeleton of Malonate in Two Polymorphs of {[Cu(bpy)(H2O)][Cu(bpy)(mal)(H2O)]}(ClO4)2 (H2mal = Malonic Acid; bpy = 2,2'-Bipyridine)","Inorganic Chemistry","2000","39","","3845","3852","10.1021/ic000314n","","","1.5418","CuKα","","0.0753","0.0597","","0.2113","0.1591","","","","1.359","1.081","1.081","","","","","has coordinates","179315","2020-10-21","18:00:00",""
"4321381","14.368","0.001","14.099","0.001","26.116","0.003","90","","97.009","0.008","90","","5250.9","0.8","293","","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C16 H34 Cl2 Cu2 N6 O11 -","- C16 H31 Cl2 Cu2 N6 O11 -","- C128 H248 Cl16 Cu16 N48 O88 -","8","2","","Paolo Dapporto; Mauro Formica; Vieri Fusi; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi","Synthesis of a Flexible Ligand for Assembling Two Metal Ions in Close Proximity. Crystal Structures of Binuclear Nickel and Copper Complexes","Inorganic Chemistry","2000","39","","4663","4665","10.1021/ic0000799","","","1.5418","CuKα","","0.0598","0.055","","","0.1505","0.1549","","","","","","1.027","","","","has coordinates","179316","2020-10-21","18:00:00",""
"4321404","12.5","0.02","22.63","0.04","10.49","0.02","90","","101.37","0.04","90","","2909","9","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C13 H12 N O Re S3 -","- C13 H12 N O Re S3 -","- C104 H96 N8 O8 Re8 S24 -","8","2","","Berthold Nock; Theodosia Maina; Achilleas Tsortos; Maria Pelecanou; Catherine P. Raptopoulou; Minas Papadopoulos; Hans-Jürgen Pietzsch; Chariklia I. Stassinopoulou; Aris Terzis; Hartmut Spies; Georgios Nounesis; Efstratios Chiotellis","Glutathione Interaction with SNS/S Mixed-Ligand Complexes of Oxorhenium(V): Kinetic Aspects and Characterization of the Products","Inorganic Chemistry","2000","39","","4433","4441","10.1021/ic000350m","","","0.71073","MoKα","","0.0889","0.0633","","0.1648","0.1421","","","","1.044","1.075","1.075","","","","","has coordinates","179317","2020-10-21","18:00:00",""
"4321730","26.312","0.004","10.847","0.004","32.9","0.003","90","","111.274","0.008","90","","8750","4","23","","23","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C26.5 H45 Cl3 Mo2 N2 Rh2 S8 -","- C220 H352 Cl40 Mo16 N16 Rh16 S64 -","- C220 H352 Cl40 Mo16 N16 Rh16 S64 -","","","","Tomotake Ikada; Shigeki Kuwata; Yasushi Mizobe; Masanobu Hidai","Syntheses and Structures of Mixed-Metal Sulfido Clusters Containing Incomplete Cubane-Type M2M'S4 and Cubane-Type M2M'2S4 Cores (M = Mo, W; M' = Rh, Ir)","Inorganic Chemistry","1999","38","","64","69","10.1021/ic981035r","","","0.7107","MoKalpha","","","0.049","","","0.052","","","","","4.35","4.35","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321763","8.401","0.001","7.126","0.001","15.144","0.001","90","","98.866","0.009","90","","895.77","0.18","296.2","","296.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H7 K O2 S -","- C8 H7 K O2 S -","- C32 H28 K4 O8 S4 -","4","1","","Osamu Niyomura; Shinzi Kato; Takahiro Kanda","Facile Synthesis and Structure of Heavy Alkali Metal Thiocarboxylates: Structural Comparison with the Selenium and Tellurium Isologues","Inorganic Chemistry","1999","38","","507","518","10.1021/ic9808091","","","0.7107","MoKα","","0.0318","0.0318","","","0.0408","0.0408","","","","","","1.735","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321767","11.983","0.002","9.064","0.002","12.882","0.002","90","","95.53","0.01","90","","1392.7","0.4","296.2","","296.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C12 H16 F3 N O S -","- C12 H16 F3 N O S -","- C48 H64 F12 N4 O4 S4 -","4","1","","Osamu Niyomura; Shinzi Kato; Takahiro Kanda","Facile Synthesis and Structure of Heavy Alkali Metal Thiocarboxylates: Structural Comparison with the Selenium and Tellurium Isologues","Inorganic Chemistry","1999","38","","507","518","10.1021/ic9808091","","","0.7107","MoKα","","0.0487","0.0487","","","0.0584","0.0584","","","","","","1.865","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321768","8.597","0.004","7.106","0.004","15.104","0.006","90","","100.36","0.04","90","","907.7","0.8","193.2","","193.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H7 K O2 Se -","- C8 H7 K O2 Se -","- C32 H28 K4 O8 Se4 -","4","1","","Osamu Niyomura; Shinzi Kato; Takahiro Kanda","Facile Synthesis and Structure of Heavy Alkali Metal Thiocarboxylates: Structural Comparison with the Selenium and Tellurium Isologues","Inorganic Chemistry","1999","38","","507","518","10.1021/ic9808091","","","0.7107","MoKα","","0","0","","","0","0.041","","","","","","1.83","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321770","5.975","0.003","14.517","0.002","10.617","0.003","90","","92.74","0.03","90","","919.9","0.5","296.2","","296.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H7 Cl O Te -","- C8 H7 Cl O Te -","- C32 H28 Cl4 O4 Te4 -","4","1","","Shinzi Kato; Osamu Niyomura; Shohou Nakaiida; Yasuyuki Kawahara; Takahiro Kanda; Ryo Yamada; Shinya Hori","First Isolation and Characterization of Sodium and Potassium Tellurocarboxylates: Structural Analysis of Te-Alkyl Telluroester","Inorganic Chemistry","1999","38","","519","530","10.1021/ic980815x","","","0.7107","MoKα","","","0.0326","","","0.0459","","","","","1.705","1.705","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321785","21.147","0.006","14.3547","0.0015","23.036","0.004","90","","116.78","0.02","90","","6243","2","220","2","220","2","","","","","","","see experimental","7","P 1 21/a 1","-P 2yab","14","","","","- C28 H29 F6 N4 O4 P Pt2 -","- C28 H29 F6 N4 O4 P Pt2 -","- C224 H232 F48 N32 O32 P8 Pt16 -","8","2","","Dirk Steinborn; Michael Gerisch; Clemens Bruhn; Julian A. Davies","Synthesis and Characterization of Intermolecular Hydrogen Bond Stabilized Acyl(hydroxycarbene)platinum(II) Complexes","Inorganic Chemistry","1999","38","","680","683","10.1021/ic9805170","","","0.71073","MoKα","","0.0574","0.0363","","0.0845","0.0767","","","","0.936","1.007","1.007","","","","","has coordinates","179320","2020-10-21","18:00:00",""
"4321789","9.834","0.002","11.871","0.005","15.368","0.008","90","","106.833","0.003","90","","1717.2","1.2","298","1","293","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","{[Cu(CH2(C6H4-4-NH2)2)(CH2(COOH)2)Cl]Cl}2","","- C16 H18 Cl2 Cu N2 O4 -","- C16 H18 Cl2 Cu N2 O4 -","- C64 H72 Cl8 Cu4 N8 O16 -","4","1","","Yugen Zhang; Masayoshi Nishiura; Li Jianmin; Deng Wei; Tsuneo Imamoto","New Maze-Type Network Assembled by Copper(II) and 4,4'-Diaminodiphenylmethane: {[Cu(C13H14N2)(C3H4O4)Cl]Cl}2","Inorganic Chemistry","1999","38","","825","827","10.1021/ic980911y","","","0.71073","MoKα","","0.089","0.089","","0.125","0.125","","","","","5.26","5.26","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321804","8.669","0.003","5.55","0.001","10.456","0.002","90","","106.8","0.02","90","","481.6","0.2","297","","297","","","","","","","","synthesis","4","P 1 21/a 1","-P 2yab","14","","copper(I) cyanide/1,4-butanediamine complex","","- C6 H12 Cu2 N4 -","- C6 H12 Cu2 N4 -","- C12 H24 Cu4 N8 -","2","0.5","","Fred B. Stocker; Teodora P. Staeva; Chad M. Rienstra; Doyle Britton","Crystal Structures of a Series of Complexes Produced by Reaction of Copper(I) Cyanide with Diamines","Inorganic Chemistry","1999","38","","984","991","10.1021/ic970226b","","","0.71073","MoKalpha","","","0.028","","","0.031","","","","","1.13","1.13","","","","","has coordinates","179321","2020-10-21","18:00:00",""
"4321809","13.268","0.001","29.472","0.001","18.765","0.001","90","","95.93","","90","","7298.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C88.66 H57.66 Cl1.98 N9 O Ru -","- C88 H57 N9 O Ru -","- C352 H228 N36 O4 Ru4 -","4","1","","Enzo Alessio; Silvano Geremia; Stefano Mestroni; Elisabetta Iengo; Ivana Srnova; Miroslav Slouf","Solution and Solid State Structure of a Canted, Side-to-Face, Bis(porphyrin) Adduct","Inorganic Chemistry","1999","38","","869","875","10.1021/ic980816p","","","0.8","synchrotron","","0.0474","0.0392","","","0.1214","0.1325","","","","","","1.043","","","","has coordinates","179321","2020-10-21","18:00:00",""
"4321858","14.874","0.007","13.3","0.004","16.604","0.005","90","0.03","99.68","0.03","90","0.03","3238","2","293","","293","","","","","","","","Synthesized in the laboratory","5","P 1 21/a 1","-P 2yab","14","","","","- C38 H27.5 N6 Ni O4.75 -","- C38 H28 N6 Ni O5 -","- C152 H112 N24 Ni4 O20 -","4","1","","Apurba Kumar Patra; Rabindranath Mukherjee","Bivalent, Trivalent, and Tetravalent Nickel Complexes with a Common Tridentate Deprotonated Pyridine Bis-Amide Ligand. Molecular Structures of Nickel(II) and Nickel(IV) and Redox Activity","Inorganic Chemistry","1999","38","","1388","1393","10.1021/ic980672e","","","0.71073","MoK-alpha","","0.164","0.061","","0.159","0.064","","","","1.984","1.305","1.305","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4321871","16.576","0.003","20.844","0.002","17.024","0.002","90","","94.87","0.02","90","","5860.7","1.4","294","2","294","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C48 H64 B2 Cl4 Mo2 N14 O6 -","- C48 H64 B2 Cl4 Mo2 N14 O6 -","- C192 H256 B8 Cl16 Mo8 N56 O24 -","4","1","","Ferida S. McQuillan; Hongli Chen; Thomas A. Hamor; Christopher J. Jones; Helen A. Jones; R. Peter Sidebotham","Stereoselectivity in the Formation of Metallomacrocycles from [Mo(NO){HB(3,5-Me2C3HN2)3}I2] and Ditopic Proligands: The X-ray Crystal Structures of anti-[[Mo(NO){HB(3,5-Me2C3HN2)3}{1,4-(OCH2)2C6H4}]2.4CHCl3, syn-[Mo(NO){HB(3,5-Me2C3HN2)3}{1,4-(OCH2)2C6H4}]2.2CH2Cl2, and anti-[Mo(NO){HB(3,5-Me2C3HN2)3}{(4-OC6H4)2CH2}]2.2CHCl3.CH2Cl2","Inorganic Chemistry","1999","38","","1555","1562","10.1021/ic981010s","","","0.7107","MoKa","","0.1401","0.0789","","0.1115","0.0925","","","","1.073","1.059","1.059","","","","","has coordinates","179321","2020-10-21","18:00:00",""
"4321892","9.988","0.003","17.753","0.002","19.456","0.003","90","","101.16","0.02","90","","3384.6","1.2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C24 H54 Li N6 Sb Te2 -","- C24 H54 N6 Sb1.059 Te2 -","- C96 H216 N24 Sb4.236 Te8 -","4","1","","Tristram Chivers; Masood Parvez; Gabriele Schatte; Glenn P. A. Yap","Homoleptic Bismuth and Antimony Complexes of the Tripodal [Te(NtBu)3]2- Anion","Inorganic Chemistry","1999","38","","1380","1381","10.1021/ic9814322","","","0.71069","MoKα","","0.2118","0.0531","","","0.1143","0.1689","","","","","","0.956","","","","has coordinates,has disorder","179321","2020-10-21","18:00:00",""
"4321980","10.242","0.001","10.751","0.001","13.289","0.002","90","","102.87","0.01","90","","1426.5","0.3","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","(COD)Pt(dddt)","(1,5-cyclooctadiene)(5,6-dihydro-1,4-dithiin-2,3-dithiolate)platinum(II)","","- C12 H16 Pt S4 -","- C12 H16 Pt S4 -","- C48 H64 Pt4 S16 -","4","1","","Christopher E. Keefer; Robert D. Bereman; Suzanne T. Purrington; Brian W. Knight; Paul D. Boyle","The 195Pt NMR of L2Pt(1,2-dithiolene) Complexes","Inorganic Chemistry","1999","38","","2294","2302","10.1021/ic980369d","","","0.7093","MolybdenumKα","","0.044","0.044","","0.048","0.048","","","","","1.54","1.54","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322008","13.0529","0.0008","9.985","0.002","18.07","0.001","90","","110.755","0.004","90","","2202.3","0.5","20","","20","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C17 H23 Cl2 N O P2 W -","- C68 H92 Cl8 N4 O4 P8 W4 -","- C68 H92 Cl8 N4 O4 P8 W4 -","","","","Hiroshige Ishino; Shin'ichi Tokunaga; Hidetake Seino; Youichi Ishii; Masanobu Hidai","Synthesis and Structures of Tungsten (1-Pyridinio)imido Complexes and Their Facile N-N Bond Cleavage1","Inorganic Chemistry","1999","38","","2489","2496","10.1021/ic981116n","","","0.7107","MoKalpha","","","0.027","","","0.018","","","","","1.55","1.55","","","","","has coordinates","179323","2020-10-21","18:00:00",""
"4322127","9.525","0.005","9.071","0.004","22.841","0.011","90","","95.75","0.04","90","","1963.6","1.7","203","2","203","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C42 H46 Fe2 N4 S4 -","- C42 H46 Fe2 N4 S4 -","- C84 H92 Fe4 N8 S8 -","2","0.5","","Peter Comba; Jürgen Ensling; Philipp Gütlich; Andreas Kühner; Alexander Peters; Hans Pritzkow","Bis-macrocyclic Ligands with Two Ferrocenyl End Groups, and Their Tetranuclear Dicopper(I) Compounds","Inorganic Chemistry","1999","38","","3316","3320","10.1021/ic981389i","","","0.7107","MoKα","","0.1103","0.0497","","","0.0992","0.1163","","","","","","1.012","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4322319","12.463","0.006","19.315","0.003","17.084","0.009","90","","98.49","0.02","90","","4067","3","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C70 H56 F24 Mn2 N4 O14 P2 -","- C70 H56 F24 Mn2 N4 O14 P2 -","- C140 H112 F48 Mn4 N8 O28 P4 -","2","0.5","","Corinne Rancurel; Daniel B. Leznoff; Jean-Pascal Sutter; Stéphane Golhen; Lahcène Ouahab; Janis Kliava; Olivier Kahn","Synthesis, Structure, and Magnetism of Mono- and Binuclear Manganese(II) Compounds of Nitronyl Nitroxide Substituted Phosphine Oxides","Inorganic Chemistry","1999","38","","4753","4758","10.1021/ic990527g","","","0.71073","MoKα","","0.1706","0.0683","","","0.1775","0.2213","","","","","","1.021","","","","has coordinates","179326","2020-10-21","18:00:00",""
"4322426","15.509","0.006","10.936","0.004","17.491","0.005","90","","96.53","0.03","90","","2947.3","1.8","153.2","","153.2","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C29 H23 Cl2 Cu F10 N4 O0.5 -","- C29.5 Cl2 Cu F10 N4 O -","- C118 Cl8 Cu4 F40 N16 O4 -","4","1","","Christina Ng; Michal Sabat; Cassandra L. Fraser","Metal Complexes with Cis α Topology from Stereoselective Quadridentate Ligands with Amine, Pyridine, and Quinoline Donor Groups","Inorganic Chemistry","1999","38","","5545","5556","10.1021/ic990475v","","","0.7107","MoKalpha","","","0.0566","","","0.0778","","","","","2.274","2.274","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322437","10.974","0.003","8.575","0.005","14.898","0.005","90","","91.33","0.03","90","","1401.6","1","170.2","","170.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C11 H22 Li N O2 S -","- C11 H22 Li N O2 S -","- C44 H88 Li4 N4 O8 S4 -","4","1","","Tristram Chivers; Andrew Downard; Masood Parvez","Steric and Solvation Effects on the Aggregation of Lithium Thioamidates: Single-Strand Polymers with (LiS)n and (LiNCS)n Backbones","Inorganic Chemistry","1999","38","","5565","5570","10.1021/ic990759f","","","0.7107","MoKα","","0.0527","0.0527","","0.0433","0.0433","","","","1.776","1.776","1.776","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322438","9.129","0.002","11.099","0.002","12.537","0.002","90","","94.14","0.02","90","","1267","0.4","170.2","","170.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H20 Li N O S -","- C10 H20 Li N O S -","- C40 H80 Li4 N4 O4 S4 -","4","1","","Tristram Chivers; Andrew Downard; Masood Parvez","Steric and Solvation Effects on the Aggregation of Lithium Thioamidates: Single-Strand Polymers with (LiS)n and (LiNCS)n Backbones","Inorganic Chemistry","1999","38","","5565","5570","10.1021/ic990759f","","","0.7107","MoKα","","0.0487","0.0487","","0.0475","0.0475","","","","1.873","1.873","1.873","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322652","12.938","0.003","29.647","0.004","13.131","0.003","90","","107.89","0.02","90","","4793.2","1.8","294.2","","294.2","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C45 H60 B Cl Fe O1.25 P4 -","- C45 H60 B Cl Fe O1.25 P4 -","- C180 H240 B4 Cl4 Fe4 O5 P16 -","4","1","","Leslie D. Field; Iain P. Thomas; Trevor W. Hambley; Peter Turner","Iron(II) Complexes Containing the 1,2-Diphospholanoethane Ligand","Inorganic Chemistry","1998","37","","612","618","10.1021/ic9701928","","","1.5418","CuKα","","0.0915","0.0915","","0.0866","0.0866","","","","2.856","2.856","2.856","","","","","has coordinates","209476","2020-10-21","18:00:00",""
"4322737","19.758","0.006","9.463","0.003","16.297","0.004","90","","93.4","0.02","90","","3041.7","1.5","203","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C27 H27.5 Cl F6 N2.5 O2 P2 Re -","- C27 H26 Cl F6 N2.5 O2 P2 Re -","- C108 H104 Cl4 F24 N10 O8 P8 Re4 -","4","1","","J. Mattheus Botha; Keisuke Umakoshi; Yoichi Sasaki; Gert J. Lamprecht","Chelation Processes to an Oxorhenium(V) Center by N,N,N,O-Tetradentate and N,N,O-Tridentate Ligands As Verified by Structural and Mechanistic Studies of Intermediate Species","Inorganic Chemistry","1998","37","","1609","1615","10.1021/ic971477n","","","0.71073","MoK-alpha","","","0.059","","","0.069","","","","","3.42","3.42","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322847","8.596","0.003","6.033","0.0004","15.363","0.004","90","","93.03","0.01","90","","795.6","0.4","298","2","298","2","","","","","","","Aldrich chemical: recrystallized from ethanol","5","P 1 21/a 1","-P 2yab","14","silver(I) p-toluenesulfonate","silver(I) p-toluenesulfonate","","- C7 H7 Ag O3 S -","- C7 H7 Ag O3 S -","- C28 H28 Ag4 O12 S4 -","4","1","","Graham Smith; Brett A. Cloutt; Daniel E. Lynch; Karl A. Byriel; Colin H. L. Kennard","Nitrogen Base Adducts with Silver(I) p-Toluenesulfonate: Syntheses and Single Crystal X-ray Characterizations of the Adducts with Pyridine (1:1), 2-Aminopyridine (1:2), 2-Aminopyrimidine (1:1), 4,6-Dimethyl-2-aminopyrimidine (2:3), and 3-Aminobenzoic Acid (1:2) and the Crystal Structure of the Parent Silver(I) p-Toluenesulfonate","Inorganic Chemistry","1998","37","","3236","3242","10.1021/ic9706461","","","0.71069","MoKa","","0.0996","0.0901","","0.2321","0.2161","","","","1.068","1.102","1.102","","","","","has coordinates","179331","2020-10-21","18:00:00",""
"4322852","8.006","0.002","31.675","0.008","8.803","0.002","90","","104.413","0.009","90","","2162.1","0.9","298","2","298","2","","","","","","","From silver(I) p-toluenesulfonate and 3-aminobenzoic acid in EtOH","6","P 1 21/a 1","-P 2yab","14","silver(I) p-toluenesulfonate: 3-aminobenzoic acid adduct","Silver(I) p-toluenesulfonate: 3-aminobenzoic acid (1:2)","","- C21 H21 Ag N2 O7 S -","- C21 H21 Ag N2 O7 S -","- C84 H84 Ag4 N8 O28 S4 -","4","1","","Graham Smith; Brett A. Cloutt; Daniel E. Lynch; Karl A. Byriel; Colin H. L. Kennard","Nitrogen Base Adducts with Silver(I) p-Toluenesulfonate: Syntheses and Single Crystal X-ray Characterizations of the Adducts with Pyridine (1:1), 2-Aminopyridine (1:2), 2-Aminopyrimidine (1:1), 4,6-Dimethyl-2-aminopyrimidine (2:3), and 3-Aminobenzoic Acid (1:2) and the Crystal Structure of the Parent Silver(I) p-Toluenesulfonate","Inorganic Chemistry","1998","37","","3236","3242","10.1021/ic9706461","","","0.71073","MoKa","","0.0439","0.0281","","0.1472","0.0747","","","","1.051","1.028","1.028","","","","","has coordinates","179331","2020-10-21","18:00:00",""
"4322875","17.985","0.002","19.453","0.005","20.194","0.003","90","","115.191","0.01","90","","6393","2","288.2","","288.2","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C61 H90 B Cl N6 O2 P2 Ru -","- C61 H70 B Cl N6 O2 P2 Ru -","- C244 H280 B4 Cl4 N24 O8 P8 Ru4 -","4","1","","Yoshiaki Takahashi; Munetaka Akita; Shiro Hikichi; Yoshihiko Moro-oka","Synthesis of Various Cationic Ruthenium-Aqua Complexes with Hydrotris(3,5-diisopropylpyrazolyl)borate Ligand, TpiPrRu(OH2)n(L)3-n.(CF3SO3)(THF)x, and Their Structures Supported by Hydrogen-Bonding Networks1","Inorganic Chemistry","1998","37","","3186","3194","10.1021/ic9801802","","","0.7107","MoKα","","","0.0699","","","0.1076","","","","","6.603","6.603","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322961","9.364","0.003","23.918","0.005","10.15","0.003","90","","96.53","0.02","90","","2258.5","1.1","294.2","","294.2","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C36 H50 Cl2 Cu2 N6 O8 S4 -","- C18 H25 Cl Cu N3 O4 S2 -","- C72 H100 Cl4 Cu4 N12 O16 S8 -","4","1","","Peter Comba; Andreas Fath; Trevor W. Hambley; Andreas Kühner; David T. Richens; Annette Vielfort","Helical Figure-of-Eight Loop Dicopper(I) Compounds: Syntheses, Structures, and Dynamics","Inorganic Chemistry","1998","37","","4389","4401","10.1021/ic980216q","","","1.5418","CuKalpha","","","0.0593","","","0.0741","","","","","2.505","2.505","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323024","16.269","0.01","35.31","0.03","16.056","0.01","90","","97.59","0.02","90","","9143","11","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C63 H78 B3 Mo3 N21 O9 -","- C63 H78 B3 Mo3 N21 O9 -","- C252 H312 B12 Mo12 N84 O36 -","4","1","","Ferida S. McQuillan; Timothy E. Berridge; Hongli Chen; Thomas A. Hamor; Christopher J. Jones","Bi-, Tri-, and Tetranuclear Metallomacrocycles Constructed by Metal-Directed Reactions Involving Resorcinol or Hydroquinone or by Addition of Octahedral Metal Centers to Tetrahexylcalix[4]resorcinarene: X-ray Crystal Structure of syn,syn-[Mo{HB(3,5-Me2C3HN2)3}(NO)(1,4-O2C6H4)]3","Inorganic Chemistry","1998","37","","4959","4970","10.1021/ic9803659","","","0.7107","MoKa","","","","","","","","","","1.017","1.139","1.139","","","","","has coordinates","179333","2020-10-21","18:00:00",""
"4323025","13.272","0.003","15.768","0.002","14.771","0.002","90","","105.64","0.01","90","","2976.7","0.9","23","","23","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C42 H64 Fe K Mn2 N10 O12 -","- C48 Fe K Mn2 N10 O12 -","- C96 Fe2 K2 Mn4 N20 O24 -","2","0.5","","Hitoshi Miyasaka; Hisashi Okawa; Akira Miyazaki; Toshiaki Enoki","Synthesis, Crystal and Network Structures, and Magnetic Properties of a Hybrid Layered Compound: [K(18-cr)(2-PrOH)2][{Mn(acacen)}2{Fe(CN)6}] (18-cr = 18-Crown-6-ether, acacen =N,N'-Ethylenebis(acetylacetonylideneiminate))","Inorganic Chemistry","1998","37","","4878","4883","10.1021/ic980448p","","","0.7107","MoKalpha","","","0.056","","","0.055","","","","","4.05","4.05","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323098","11.553","0.004","16.135","0.007","15.046","0.003","90","","108.08","0.02","90","","2666.2","1.6","296.2","","296.2","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C21 H2 Cu F6 N6 O2 P -","- C572 Cu44 N227 -","- C2288 Cu176 N908 -","4","1","","Megumu Munakata; Gui Ling Ning; Takayoshi Kuroda-Sowa; Masahiko Maekawa; Yusaku Suenaga; Takashi Horino","Construction of Copper(I) Coordination Polymers of 1,2,4,5-Tetracyanobenzene with Zigzag Sheet and Porous Frameworks","Inorganic Chemistry","1998","37","","5651","5656","10.1021/ic980427v","","","0.7107","MoKα","","0.0686","0.0686","","","0.0801","0.08","","","","","","2.325","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323147","13.531","0.004","25.207","0.005","14.083","0.003","90","","115.57","0.02","90","","4332.9","1.9","170","","170","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C33 H37 Cl10 O2 P S2 W2 -","- C33 H37 Cl10 O2 P S2 W2 -","- C132 H148 Cl40 O8 P4 S8 W8 -","4","1","","P. Michael Boorman; Naomi L. Langdon; Vivian J. Mozol; Masood Parvez; Glenn P. A. Yap","Syntheses, Crystal Structures, Spectroscopic Characterization, and Electrochemical Studies of the Ditungsten(III) Complexes Cl~3~W(μ-L)~3~WCl~3~ and [Cl~3~W(μ-L)~2~(μ-Cl)WCl~3~]^-^ (L = 1,4-Dithiane, 1,4-Thioxane, pms = Pentamethylene Sulfide). C-S Bond Cleavage of the Bridging Thioether(s) in Cl~3~W(μ-L)~3~WCl~3~","Inorganic Chemistry","1998","37","","6023","6029","10.1021/ic971542t","","","0.7107","MoKα","","","0.0811","","","0.0869","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323210","14.994","0.006","28.13","0.009","15.667","0.009","90","","95.24","0.04","90","","6580","5","23","","23","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C66 H64 F12 Fe Ni2 O P6 S2 -","- C264 H256 F72 Fe4 Ni8 O4 P24 S8 -","- C264 H256 F72 Fe4 Ni8 O4 P24 S8 -","","","","Shin Takemoto; Shigeki Kuwata; Yoshiaki Nishibayashi; Masanobu Hidai","Synthesis of Heterobimetallic Fe-M (M = Ni, Pd, Pt) Complexes Containing the 1,1'-Ferrocenedithiolato Ligand and Their Conversion to Trinuclear Complexes","Inorganic Chemistry","1998","37","","6428","6434","10.1021/ic9806129","","","0.7107","MoKalpha","","","0.078","","","0.06","","","","","2.39","2.39","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323226","16.778","0.001","13.97","0.002","16.94","0.002","90.01","0.01","113.583","0.007","90.01","0.008","3638.9","0.7","203.2","","203.2","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C38 H36 Cu F3 N6 O6 S -","- C38 H36 Cu F3 N6 O6 S -","- C152 H144 Cu4 F12 N24 O24 S4 -","4","1","","Robert T. Jonas; T. D. P. Stack","Synthesis and Characterization of a Family of Systematically Varied Tris(2-pyridyl)methoxymethane Ligands: Copper(I) and Copper(II) Complexes","Inorganic Chemistry","1998","37","","6615","6629","10.1021/ic9713487","","","0.7109","MoKα","","","0.042","","","","0.036","","","","","","2.2","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323281","12.792","0.001","6.503","0.001","14.933","0.001","90","","109.025","0.007","90","","1174.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","number 11","","","- C26 H30 Ni O4 -","- C26 H30 Ni O4 -","- C52 H60 Ni2 O8 -","2","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","","0.0428","0.0401","","0.1159","0.114","","","","1.046","1.08","1.08","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323486","20.862","0.008","19.11","0.005","22.452","0.009","90","","110.09","0.03","90","","8406","5","295.2","","295.2","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C84 H66 B2 Cu F8 N8 O2 -","- C84 H66 B2 Cu F8 N8 O2 -","- C336 H264 B8 Cu4 F32 N32 O8 -","4","1","","Rajiv Bhalla; Madeleine Helliwell; C. David Garner","Synthesis and Coordination Chemistry of the Bis(imidazole) Ligand, Bis(1-methyl-4,5-diphenylimidaz-2-oyl)(benzyloxy)methane","Inorganic Chemistry","1997","36","","2944","2949","10.1021/ic961204c","","","1.5418","CuKα","","","0.1293","","","0.1385","","","","","3.704","3.704","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323488","17.171","0.005","13.988","0.003","17.897","0.005","90","","112.52","0.02","90","","3970.9","1.9","303.2","","303.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C44 H38 Cl2 Cu N4 O2 -","- C46 H38 Cl2 Cu N4 O2 -","- C184 H152 Cl8 Cu4 N16 O8 -","4","1","","Rajiv Bhalla; Madeleine Helliwell; C. David Garner","Synthesis and Coordination Chemistry of the Bis(imidazole) Ligand, Bis(1-methyl-4,5-diphenylimidaz-2-oyl)(benzyloxy)methane","Inorganic Chemistry","1997","36","","2944","2949","10.1021/ic961204c","","","1.5418","CuKα","","","0.0837","","","0.0923","","","","","2.507","2.507","","","","","has coordinates","209476","2020-10-21","18:00:00",""
"4323503","13.339","0.003","13.446","0.003","15.179","0.003","90","","99.33","0.02","90","","2686.4","1","293","2","293","2","","","","","","","synthesized","6","P 1 21/a 1","-P 2yab","14","cis,cis-Tetrachloro-bis(sec-butylamido)-bis(trimethylphosphine) ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(sec-butylamido)-(cis,cis)-1,2- bis(trimethylphosphine) ditungsten(III)","","- C14 H38 Cl4 N2 P2 W2 -","- C14 H38 Cl4 N2 P2 W2 -","- C56 H152 Cl16 N8 P8 W8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 7. Preparation, Characterization, and Structures of W2Cl4(NHR)2(NH2R)2 and W2Cl4(NHR)2(PMe3)2 (R =sec-Butyl and Cyclohexyl) and 31P{1H} NMR Studies of Trans-to-Cis Isomerizations of W2Cl4(NHR)2(PMe3)2","Inorganic Chemistry","1997","36","","3268","3276","10.1021/ic961485o","","","1.54184","CuKα","","0.0643","0.0565","","0.1716","0.1644","","","","1.134","1.159","1.159","","","","","has coordinates,has disorder","179338","2020-10-21","18:00:00",""
"4323645","12.9235","0.0014","12.9692","0.0015","9.6551","0.0013","90","","92.777","0.004","90","","1616.4","0.3","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C26 H32 Cl2 Cu N4 O14 -","- C26 H32 Cl2 Cu N4 O14 -","- C52 H64 Cl4 Cu2 N8 O28 -","2","0.5","","Vasilis Tangoulis; Catherine P. Raptopoulou; Sofia Paschalidou; Alexandros E. Tsohos; Evangelos G. Bakalbassis; Aris Terzis; Spyros P. Perlepes","The Case of a Cu4 Rhombus in Molecular Magnetism: Preparation, Crystal Structure, and Magnetic Properties of [Cu4(dpk.CH3O)4(CH3O)2](ClO4)2 (dpk.CH3OH = Monomethylated Diol of Di-2-pyridyl Ketone), an Example of a Cluster Allowing the Determination of All Its Exchange Parameters, Ranging from Very Strong to Very Weak","Inorganic Chemistry","1997","36","","5270","5277","10.1021/ic970332d","","","0.7107","MoKα","","0.0882","0.0534","","0.1784","0.1405","","","","1.116","1.113","1.113","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323755","15.6964","0.0014","8.5234","0.0012","22.072","0.003","90","","92.941","0.009","90","","2949.1","0.6","293","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H10 As2 Fe3 Mn2 O13 -","- C23 H10 As2 Fe6 Mn2 O13 -","- C92 H40 As8 Fe24 Mn8 O52 -","4","1","","Boyce E. Collins; Yoshihiro Koide; Cynthia K. Schauer; Peter S. White","Structures, Bonding, Infrared Spectroscopy, and Two-Electron Reduction Potentials of the Coordinated Metallopnictanes Fe3(CO)9(μ3-EMLn)2 (E = P, As, Sb; MLn= Cr(CO)5, MnCp(CO)2)","Inorganic Chemistry","1997","36","","6172","6183","10.1021/ic970786a","","","0.7093","MolybdenumKα","","0","0","","0","0","","","","","0","0","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323821","13.731","0.002","14.319","0.004","13.949","0.002","90","","90.77","0.01","90","","2742.3","0.9","296","","296","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","tris(2-aminoethyl)amine-trichloro-ruthenium(III) hydrochloric acid 1/2hydrate","","- C6 H20 Cl4 N4 O0.5 Ru -","- C6 H11.5 Cl4 N4 O0.5 Ru -","- C48 H92 Cl32 N32 O4 Ru8 -","8","2","","Ken Sakai; Yasutaka Yamada; Taro Tsubomura","Syntheses and Crystal Structures of Ruthenium Complexes of 1,4,8,11-Tetraazacyclotetradecane, Tris(2-aminoethyl)amine (tren), and Bis(2-aminoethyl)(iminomethyl)amine. A Microporous Layered Structure Consisting of {[K(tren)]2[RuCl6]}nn- and {(H5O2)4[RuCl6]}nn+","Inorganic Chemistry","1996","35","","3163","3172","10.1021/ic950688u","","","0.71069","MoKα","","","0.0417","","","0.0387","","","","","2.07","2.07","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324019","10.578","0.005","51.154","0.005","9.394","0.004","90","","97.74","0.04","90","","5037","3","297","","297","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- O9 P3 Ru -","- O9 P3 Ru -","- O288 P96 Ru32 -","32","8","","Hideo Imoto; Hiroshi Fukuoka; Shigenori Tsunesawa; Hisaya Horiuchi; Takao Amemiya; Noboru Koga","Preparation and Crystal Structure of Ruthenium Metaphosphate Ru(PO3)3 with an 8-fold Superstructure. Analysis of Structural Frustration with a Simple Model","Inorganic Chemistry","1997","36","","4172","4181","10.1021/ic9701773","","","0.7107","Mo_Kα","","0.081","0.058","","0.05","0.049","","","","","3.67","3.67","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324040","12.453","0.002","24.074","0.003","13.174","0.002","90","","90.67","0.01","90","","3949.2","1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C36 H21 O12 P Rh2 Ru2 -","- C36 H21 O12 P Rh2.0566 Ru1.9398 -","- C144 H84 O48 P4 Rh8.2264 Ru7.7592 -","4","1","","Alessandro Fumagalli; Davide Italia; Maria Carlotta Malatesta; Gianfranco Ciani; Massimo Moret; Angelo Sironi","Mixed Ruthenium-Rhodium Carbonyl Clusters. Synthesis and Crystal Structure of the [PPh4]+ Salts of the Anions [Ru2Rh2(CO)7(μ-CO)5]2-, [Ru2Rh2(CO)9(μ-CO)3(μ-H)]-, and [Ru2Rh2(CO)7(μ-CO)5(μ3-AuPPh3)]-","Inorganic Chemistry","1996","35","","1765","1772","10.1021/ic950728u","","","0.71073","MoKα","","0.0393","0.0389","","0.0978","0.0961","","","","1.04","1.04","1.04","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324068","17.6","0.01","13.5","0.01","18.641","0.009","90","","105","","90","","4278","4","293.2","","293.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C48 H40 N2 O2 P4 Pt -","- C48 H40 N2 O2 P4 Pt -","- C192 H160 N8 O8 P16 Pt4 -","4","1","","Pravat Bhattacharyya; Alexandra M. Z. Slawin; Martin B. Smith; J. Derek Woollins","Palladium(II) and Platinum(II) Complexes of the Heterodifunctional Ligand Ph2PNHP(O)Ph2","Inorganic Chemistry","1996","35","","3675","3682","10.1021/ic951247d","","","1.5418","CuKalpha","","","0.041","","","0.036","","","","","1.61","1.61","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324217","14.426","0.003","12.697","0.002","15.187","0.003","90","","104.718","0.004","90","","2690.5","0.9","193","2","193","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C21 H31 F6 Hg N2 O2 P S2 -","- C21 H31 F6 Hg N2 O2 P S2 -","- C84 H124 F24 Hg4 N8 O8 P4 S8 -","4","1","","Xiao-Yan Tang; Ai-Xia Zheng; Hai Shang; Rong-Xin Yuan; Hong-Xi Li; Zhi-Gang Ren; Jian-Ping Lang","Binding of a Coordinatively Unsaturated Mercury(II) Thiolate Compound by Carboxylate Anions","Inorganic Chemistry","2011","50","","503","516","10.1021/ic101587h","","","0.7107","MoKα","","0.072","0.057","","","0.1","0.1051","","","","","","1.197","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324407","8.7523","0.0005","8.0191","0.0005","11.7635","0.0008","90","","94.729","0.003","90","","822.82","0.09","293","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C8 H16 Au Cl2 Co N8 -","- C8 H16 Au Cl2 Co N8 -","- C16 H32 Au2 Cl4 Co2 N16 -","2","0.5","","Andrew R. Geisheimer; John E. C. Wren; Vladimir K. Michaelis; Masayuki Kobayashi; Ken Sakai; Scott Kroeker; Daniel B. Leznoff","Aggregation of [Au(CN)4]- Anions: Examination by Crystallography and 15N CP-MAS NMR and the Structural Factors Influencing Intermolecular Au...N Interactions","Inorganic Chemistry","2011","50","","1265","1274","10.1021/ic101782v","","","0.71073","MoKα","","0.1512","0.1011","","0.1242","0.1072","0.1047","","","","","","1.0162","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325059","12.5153","0.0008","8.0997","0.0005","14.0564","0.0008","90","","96.496","0.004","90","","1415.75","0.15","150","2","150","2","","","","","","","Ross Forgan","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C60 H92 N4 O8 -","4","1","","Ross S. Forgan; Benjamin D. Roach; Peter A. Wood; Fraser J. White; John Campbell; David K. Henderson; Eduardo Kamenetzky; Fiona E. McAllister; Simon Parsons; Elna Pidcock; Patricia Richardson; Ronald M. Swart; Peter A. Tasker","Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants","Inorganic Chemistry","2011","50","","4515","4522","10.1021/ic200154y","","","0.71073","MoKα","","0.0684","0.0474","","","0.109","0.113","","","","","","0.947","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4325513","23.81","0.0017","10.4107","0.0008","13.208","0.001","90","","89.727","0.009","90","","3273.9","0.4","180","2","180","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H29 Gd N8 Ni O13 -","- C25 H29 Gd N8 Ni O13 -","- C100 H116 Gd4 N32 Ni4 O52 -","4","1","","Traian D. Pasatoiu; Jean-Pascal Sutter; Augustin M. Madalan; Fatima Zohra Chiboub Fellah; Carine Duhayon; Marius Andruh","Preparation, Crystal Structures, and Magnetic Features for a Series of Dinuclear [NiIILnIII] Schiff-Base Complexes: Evidence for Slow Relaxation of the Magnetization for the DyIII Derivative","Inorganic Chemistry","2011","50","","5890","5898","10.1021/ic2004276","","","0.71073","MoKα","","0.0552","0.0457","","","0.1238","0.13","","","","","","1.06","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4326632","21.368","0.001","10.17","0.001","21.555","0.002","90","","118.776","0.001","90","","4105.7","0.6","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C38 H32 Ag2 B2 F8 N8 S2 -","- C38 H32 Ag2 B2 F8 N8 S2 -","- C152 H128 Ag8 B8 F32 N32 S8 -","4","1","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.0843","0.0554","","","0.1314","0.1494","","","","","","1.044","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326728","9.767","0.004","17.615","0.008","23.233","0.01","90","","100.66","0.005","90","","3928","3","113","2","113","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C72 H10 O3 S2 -","- C72 H10 O3 S2 -","- C288 H40 O12 S8 -","4","1","","Li-Cheng Song; Xu-Feng Liu; Zhao-Jun Xie; Fei-Xian Luo; Hai-Bin Song","Synthesis and Structural Characterization of Some New Porphyrin-Fullerene Dyads and Their Application in Photoinduced H2 Evolution","Inorganic Chemistry","2011","50","","11162","11172","10.1021/ic201713x","","","0.7107","MoKα","","0.0878","0.0747","","","0.1848","0.1945","","","","","","1.204","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4327026","14.5433","0.0012","37.143","0.003","15.2818","0.0014","90","","117.171","0.005","90","","7344","1.1","158","2","158","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C40 H56 Cl12 Fe6 N20 O12 -","- C40 H52 Cl12 Fe6 N20 O12 -","- C160 H208 Cl48 Fe24 N80 O48 -","4","1","","Muhammad U. Anwar; Konstantin V. Shuvaev; Louise N. Dawe; Laurence K. Thompson","Polynuclear Fen Complexes (n= 1, 2, 4, 5) of Polytopic Hydrazone Ligands with Fe(II), Fe(III) and Mixed Oxidation State Combinations","Inorganic Chemistry","2011","50","","12141","12154","10.1021/ic201891h","","","0.71069","MoKα","","0.123","0.116","","","0.2731","0.2774","","","","","","1.16","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327380","11.8041","0.0002","23.7157","0.0003","15.9856","0.0002","90","","98.3719","0.0006","90","","4427.36","0.11","150","","150","","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C66 H98 Cu6 N32 O8 S6 -","- C66 H98 Cu6 N32 O8 S6 -","- C132 H196 Cu12 N64 O16 S12 -","2","0.5","","Laura J. Ashfield; Andrew R. Cowley; Jonathan R. Dilworth; Paul S. Donnelly","Functionalized Thiosemicarbazone Clusters of Copper(I) and Silver(I)","Inorganic Chemistry","2004","43","","4121","4123","10.1021/ic035451+","","","0.71073","MoKα","","","0.0324","","","","0.0383","","","","","","1.0407","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327420","11.72","0.01","13.8","0.01","19.45","0.02","90","","103.95","0.03","90","","3053","5","153.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H39 Cu N3 O4 S -","- C30 H39 Cu N3 O4 S -","- C120 H156 Cu4 N12 O16 S4 -","4","1","","Takao Osako; Yoshiki Ueno; Yoshimitsu Tachi; Shinobu Itoh","C-S Bond Formation Reaction between a Phenolate and Disulfide-Bridged Dicopper(I) Complexes","Inorganic Chemistry","2004","43","","6516","6518","10.1021/ic049495+","","","0.7107","MoKα","","","0.048","","","","0.056","","","","","","0.985","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327421","11.227","0.002","13.716","0.002","19.488","0.002","90","","101.568","0.009","90","","2940","0.7","159.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H39 Cu N3 O4 S -","- C30 H39 Cu N3 O4 S -","- C120 H156 Cu4 N12 O16 S4 -","4","1","","Takao Osako; Yoshiki Ueno; Yoshimitsu Tachi; Shinobu Itoh","C-S Bond Formation Reaction between a Phenolate and Disulfide-Bridged Dicopper(I) Complexes","Inorganic Chemistry","2004","43","","6516","6518","10.1021/ic049495+","","","0.7107","MoKα","","","0.036","","","","0.037","","","","","","0.945","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327715","15.522","0.004","17.881","0.005","16.898","0.003","90","","91.15","0.02","90","","4689","2","293","2","293","2","","","","","","","synthesized","6","P 1 21/a 1","-P 2yab","14","","Bis[dichloroμ-bis(diphenylphosphino)amine)molybdenum(II)]","","- C48 H42 Cl4 Mo2 N2 P4 -","- C48 H42 Cl4 Mo2 N2 P4 -","- C192 H168 Cl16 Mo8 N8 P16 -","4","1","","Deirdre I. Arnold; F. Albert Cotton; Fritz E. Kühn","Preparation and Characterization of Bis[dihalo(μ-bis(diphenylphosphino)amine)molybdenum(II)] Complexes","Inorganic Chemistry","1996","35","","5764","5769","10.1021/ic960325+","","","0.7093","MoKα","","0.0812","0.0369","","0.0995","0.0845","","","","1.022","1.054","1.054","","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327834","12.449","0.005","6.861","0.002","12.916","0.005","90","","116.702","0.004","90","","985.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","VOTTDPz","vanadyl tetrakisthiadiazoleporphyrazine","","- C16 N16 O S4 V -","- C16 N16 O S4 V -","- C32 N32 O2 S8 V2 -","2","0.5","","Yasuhito Miyoshi; Kouji Takahashi; Takuya Fujimoto; Hirofumi Yoshikawa; Michio M. Matsushita; Yukio Ouchi; Mikael Kepenekian; Vincent Robert; Maria Pia Donzello; Claudio Ercolani; Kunio Awaga","Crystal Structure, Spin Polarization, Solid-State Electrochemistry, and High n-Type Carrier Mobility of a Paramagnetic Semiconductor: Vanadyl Tetrakis(thiadiazole)porphyrazine","Inorganic Chemistry","2012","51","","456","462","10.1021/ic201880g","","","0.7107","MoKα","","0.1041","0.0732","","","0.1934","0.2183","","","","","","1.073","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4328073","22.311","0.0002","33.0752","0.0005","23.0088","0.0003","90","","117.063","0.0008","90","","15120","0.3","183","1","183","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C168 Cr12 O104 Si W12 -","- C168 Cr12 O104 Si W12 -","- C336 Cr24 O208 Si2 W24 -","2","0.5","","Sayaka Uchida; Aldes Lesbani; Yoshiyuki Ogasawara; Noritaka Mizuno","Ionic Crystals [M3O(OOCC6H5)6(H2O)3]4[α-SiW12O40] (M = Cr, Fe) as Heterogeneous Catalysts for Pinacol Rearrangement","Inorganic Chemistry","2012","51","","775","777","10.1021/ic2025186","","","0.71069","MoKα","","","0.1043","","","","0.3298","","","","","","1.174","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328074","22.4142","0.0002","33.2833","0.0004","22.9409","0.0003","90","","116.766","0.0004","90","","15280.5","0.3","183","1","183","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C168 Fe12 O104 Si W12 -","- C168 Fe12 O104 Si W12 -","- C336 Fe24 O208 Si2 W24 -","2","0.5","","Sayaka Uchida; Aldes Lesbani; Yoshiyuki Ogasawara; Noritaka Mizuno","Ionic Crystals [M3O(OOCC6H5)6(H2O)3]4[α-SiW12O40] (M = Cr, Fe) as Heterogeneous Catalysts for Pinacol Rearrangement","Inorganic Chemistry","2012","51","","775","777","10.1021/ic2025186","","","0.71069","MoKα","","","0.1191","","","","0.3733","","","","","","1.194","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328437","17.587","0.003","13.356","0.003","23.862","0.005","90","","103.347","0.003","90","","5453.6","1.9","173","","173","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C36 H26 S2 -","- C36 H26 S2 -","- C288 H208 S16 -","8","2","","Shun Ohta; Saori Yokozawa; Yasuhiro Ohki; Kazuyuki Tatsumi","Oxido-Bridged Di-, Tri-, and Tetra-Nuclear Iron Complexes Bearing Bis(trimethylsilyl)amide and Thiolate Ligands","Inorganic Chemistry","2012","51","","2645","2651","10.1021/ic2025928","","","0.7107","MoKα","","","0.0626","","","","0.1702","","","","","","1.106","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4329809","7.0106","0.0003","11.4083","0.0003","10.353","0.0003","90","","91.257","0.003","90","","827.82","0.05","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H6 Ag2 N8 O6 Se2 -","- C10 H6 Ag2 N8 O6 Se2 -","- C20 H12 Ag4 N16 O12 Se4 -","2","0.5","","Goutam Mukherjee; Puspendra Singh; Chandrasekhar Ganguri; Sagar Sharma; Harkesh B. Singh; Nidhi Goel; Udai P. Singh; Ray J. Butcher","Selenadiazolopyridine: A Synthon for Supramolecular Assembly and Complexes with Metallophilic Interactions","Inorganic Chemistry","2012","51","","8128","8140","10.1021/ic3005272","","","0.71073","MoKα","","0.06","0.0295","","","0.0552","0.0602","","","","","","0.896","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329946","8.711","0.001","29.08","0.005","10.925","0.002","90","0.013","96.941","0.011","90","0.015","2747.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C25 H14 N6 S8 -","- C25 H14 N6 S8 -","- C100 H56 N24 S32 -","4","1","","Diana G. Branzea; Arnaud Fihey; Thomas Cauchy; Abdelkrim El-Ghayoury; Narcis Avarvari","Tetrathiafulvalene-Triazine-Dipyridylamines as Multifunctional Ligands for Electroactive Complexes: Synthesis, Structures, and Theoretical Study","Inorganic Chemistry","2012","51","","8545","8556","10.1021/ic301117h","","","0.71073","MoKα","","0.1656","0.0676","","","0.0858","0.1087","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4330131","17.014","0.002","22.785","0.003","20.89","0.003","90","","101.305","0.0018","90","","7941.2","1.8","103.1","","103.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C98 H60 Cl8 Mn N8 -","- C98 H60 Cl8 Mn N8 -","- C392 H240 Cl32 Mn4 N32 -","4","1","","Ryuta Ishikawa; Keiichi Katoh; Brian K. Breedlove; Masahiro Yamashita","MnIII(tetra-biphenyl-porphyrin)-TCNE Single-Chain Magnet via Suppression of the Interchain Interactions","Inorganic Chemistry","2012","51","","9123","9131","10.1021/ic3015223","","","0.71075","MoKα","","","0.0669","","","","0.187","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330145","9.57","0.02","13.72","0.02","11.03","0.02","90","","110.28","0.08","90","","1358","4","223","","223","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H7 Cu N2 O7 -","- C12 H7 Cu N2 O7 -","- C48 H28 Cu4 N8 O28 -","4","1","","Prakash Kanoo; Ryotaro Matsuda; Ryo Kitaura; Susumu Kitagawa; Tapas Kumar Maji","Topological Difference in 2D Layers Steers the Formation of Rigid and Flexible 3D Supramolecular Isomers: Impact on the Adsorption Properties","Inorganic Chemistry","2012","51","","9141","9143","10.1021/ic300695v","","","0.7107","MoKα","","","0.046","","","","0.064","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330982","20.2827","0.0006","13.2697","0.0004","21.7579","0.0007","90","","115.257","0.0007","90","","5296.2","0.3","170.2","","170.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C58 H50 N5 O3 P2 Re -","- C58 H50 N5 O3 P2 Re -","- C232 H200 N20 O12 P8 Re4 -","4","1","","Hayato Ikeda; Takashi Yoshimura; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara","Photoluminescence Switching with Changes in the Coordination Number and Coordinating Volatile Organic Compounds in Tetracyanidonitridorhenium(V) and -technetium(V) Complexes","Inorganic Chemistry","2012","51","","12065","12074","10.1021/ic202243d","","","0.7107","MoKα","","","0.0376","","","","0.092","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330987","14.482","0.003","11.329","0.002","20.162","0.004","90","","101.89","0.003","90","","3236.9","1.1","113","2","113","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H32 Fe N2 Pt S6 -","- C32 H32 Fe N2 Pt S6 -","- C128 H128 Fe4 N8 Pt4 S24 -","4","1","","Tetsuro Kusamoto; Kenji Takada; Ryota Sakamoto; Shoko Kume; Hiroshi Nishihara","Ferrocene-Dithiolene Hybrids: Control of Strong Donor-Acceptor Electronic Communication to Reverse the Charge Transfer Direction","Inorganic Chemistry","2012","51","","12102","12113","10.1021/ic300581a","","","0.71073","MoKα","","0.0789","0.0647","","","0.1004","0.107","","","","","","1.123","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4331254","11.181","0.006","5.613","0.003","24.414","0.014","90","","102.47","0.04","90","","1496.1","1.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H26 Cl4 N2 Si2 -","- C28 H26 Cl4 N2 Si2 -","- C56 H52 Cl8 N4 Si4 -","2","0.5","","Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey","Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline","Inorganic Chemistry","2012","51","","13081","13095","10.1021/ic300775n","","","1.54176","CuKα","","0.1265","0.0839","","","0.2248","0.2573","","","","","","0.987","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331374","17.2222","0.0002","9.0102","0.0001","20.3315","0.0003","90","","91.8612","0.0005","90","","3153.29","0.07","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H50 Be N2 O -","- C33 H50 Be N2 O -","- C132 H200 Be4 N8 O4 -","4","1","","Merle Arrowsmith; Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall; Mary F. Mahon; Ian Mallov","Three-Coordinate Beryllium β-Diketiminates: Synthesis and Reduction Chemistry","Inorganic Chemistry","2012","51","","13408","13418","10.1021/ic3022968","","","0.71073","MoKα","","0.0666","0.0487","","","0.1149","0.1259","","","","","","1.039","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331572","15.151","0.017","7.078","0.01","18.68","0.02","90","","99.16","0.01","90","","1978","4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H21 N4 O7 V -","- C18 H21 N4 O7 V -","- C72 H84 N16 O28 V4 -","4","1","","Sutradhar, Manas; Mukherjee, Gurunath; Drew, Michael G. B.; Ghosh, Saktiprosad","Synthesis, Reactivity, and X-ray Crystal Structure of Some Mixed-Ligand Oxovanadium(V) Complexes: First Report of Binuclear Oxovanadium(V) Complexes Containing 4,4‘-Bipyridine Type Bridge","Inorganic Chemistry","2006","45","13","5150","5161","10.1021/ic051120g","","","0.71073","MoKα","","0.1453","0.1263","","","0.2495","0.2583","","","","","","1.215","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331634","18.6171","0.0003","11.351","0.0002","30.2636","0.0007","90","","101.856","0.0009","90","","6258.9","0.2","173.1","","173.1","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C70 H58 Cl2 Mo N2 O1.5 P4 -","- C70 H58 Cl2 Mo N2 O1.5 P4 -","- C280 H232 Cl8 Mo4 N8 O6 P16 -","4","1","","Takahiko Ogawa; Yuji Kajita; Yuko Wasada-Tsutsui; Hiroaki Wasada; Hideki Masuda","Preparation, Characterization, and Reactivity of Dinitrogen Molybdenum Complexes with Bis(diphenylphosphino)amine Derivative Ligands that Form a Unique 4-Membered P-N-P Chelate Ring","Inorganic Chemistry","2013","52","","182","195","10.1021/ic301577a","","","0.7107","MoKα","","","0.0406","","","","0.1193","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331639","18.483","0.003","13.674","0.002","19.648","0.002","90","","117.65","0.01","90","","4398.7","1.1","200","","200","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H74 Cl6 N8 O12 -","- C24 H51 Cl6 N8 O12 -","- C96 H204 Cl24 N32 O48 -","4","1","","Ambrosi, Gianluca; Dapporto, Paolo; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Guerri, Annalisa; Micheloni, Mauro; Paoli, Paola; Pontellini, Roberto; Rossi, Patrizia","Synthesis of a Large Amino-Phenolic Cage. Synthesis, Crystal Structures, and Acid−Base and Coordination Behavior toward Cations and Anions","Inorganic Chemistry","2006","45","1","304","314","10.1021/ic051304v","","","0.7107","MoKα","","0.2419","0.0886","","","0.1836","0.2548","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331646","10.922","0.002","12.611","0.001","10.96","0.002","90","","90.28","0.01","90","","1509.6","0.4","296.2","","296.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H9 Co Fe O3 S2 -","- C14 Co Fe O3 S2 -","- C56 Co4 Fe4 O12 S8 -","4","1","","Murata, Masaki; Habe, Satoru; Araki, Shingo; Namiki, Kosuke; Yamada, Teppei; Nakagawa, Norikiyo; Nankawa, Takuya; Nihei, Masayuki; Mizutani, Jun; Kurihara, Masato; Nishihara, Hiroshi","Synthesis of Heterometal Cluster Complexes by the Reaction of Cobaltadichalcogenolato Complexes with Groups 6 and 8 Metal Carbonyls","Inorganic Chemistry","2006","45","3","1108","1116","10.1021/ic0513282","","","0.7107","MoKα","","","0.051","","","","0.041","","","","","","6.86","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331995","9.5614","0.0006","11.4554","0.001","20.533","0.0018","90","","93.417","0.002","90","","2245","0.3","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H20 N2 Na2 O10 S2 -","- C18 H20 N2 Na2 O10 S2 -","- C72 H80 N8 Na8 O40 S8 -","4","1","","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; Whyte, Lynda","Supramolecuar Motifs in s-Block Metal-Bound Sulfonated Monoazo Dyes: The Case of Orange G","Inorganic Chemistry","2006","45","7","2965","2971","10.1021/ic0520115","","","0.71073","MoKα","","0.0593","0.0362","","","0.0792","0.0884","","","","","","0.981","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4332703","14.0788","0.0001","32.4703","0.0003","14.6253","0.0001","90","","117.455","0.0004","90","","5932.85","0.08","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C42 H70 Cl2 F12 Sn2 Ti4 -","- C42 H70 Cl2 F12 Sn2 Ti4 -","- C168 H280 Cl8 F48 Sn8 Ti16 -","4","1","","Perdih, Franc; Pevec, Andrej; Petriček, Saša; Petrič, Andrej; Lah, Nina; Kogej, Ksenija; Demšar, Alojz","The Solution Structures and Dynamics and the Solid-State Structures of Substituted Cyclopentadienyltitanium(IV) Trifluorides","Inorganic Chemistry","2006","45","19","7915","7921","10.1021/ic060714w","","","0.71073","MoKα","","0.085","0.052","","","0.1324","0.1492","","","","","","1.078","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332704","14.004","0.001","17.321","0.002","17.171","0.002","90","","113.948","0.008","90","","3806.5","0.7","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C11 H25 Cl3 Co N3 O4 S2 -","- C11 H25 Cl3 Co N3 O4 S2 -","- C88 H200 Cl24 Co8 N24 O32 S16 -","8","2","","Aullón, Gabriel; Bernhardt, Paul V.; Bozoglián, Fernando; Font-Bardía, Mercè; Macpherson, Brendan P.; Martínez, Manuel; Rodríguez, Carlos; Solans, Xavier","Isomeric Distribution and Catalyzed Isomerization of Cobalt(III) Complexes with Pentadentate Macrocyclic Ligands. Importance of Hydrogen Bonding","Inorganic Chemistry","2006","45","21","8551","8562","10.1021/ic060720s","","x-ray","0.71073","MoKα","","0.0932","0.0363","","","0.0777","0.0934","","","","","","1.012","","","","has coordinates,has disorder","179430","2020-10-21","18:00:00",""
"4332734","21.253","0.002","21.792","0.001","27.105","0.001","90","","101.79","0.006","90","","12288.7","1.4","293","2","293","2","","","","","","","synthesis as described","8","P 1 21/a 1","-P 2yab","14","","","","- C60 H56 Cu8 N12 Na4 O88 P2 W22 -","- C60 H48 Cu7.998 N12 Na4 O88 P2 W22.002 -","- C240 H192 Cu31.992 N48 Na16 O352 P8 W88.008 -","4","1","","San Felices, Leire; Vitoria, Pablo; Gutiérrez-Zorrilla, Juan M.; Lezama, Luis; Reinoso, Santiago","Hybrid Inorganic−Metalorganic Compounds Containing Copper(II)-Monosubstituted Keggin Polyanions and Polymeric Copper(I) Complexes.","Inorganic Chemistry","2006","45","19","7748","7757","10.1021/ic060762g","","x-ray","0.71069","MoKα","","0.2097","0.0695","","","0.111","0.1393","","","","","","0.807","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332757","8.605","0.005","16.71","0.005","16.677","0.005","90","","93.63","0.05","90","","2393.2","1.7","173","2","173","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H34 N6 Ti -","- C24 H34 N6 Ti -","- C96 H136 N24 Ti4 -","4","1","","Ward, Benjamin D.; Risler, Hélène; Weitershaus, Katharina; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Gade, Lutz H.","2-Aminopyrrolines: New Chiral Amidinate Ligands with a Rigid Well-Defined Molecular Structure and Their Coordination to TiIV","Inorganic Chemistry","2006","45","19","7777","7787","10.1021/ic060809y","","","0.71069","MoKα","","0.1726","0.1008","","","0.1524","0.1724","","","","","","1.18","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332924","11.7517","0.0019","29.076","0.004","12.5466","0.0017","90","","104.937","0.017","90","","4142.2","1.1","180","2","180","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Oxo[O-acetyl-p-tert-butyl-calix[4]aren-trihydroxylato]vanadium(V)","","- C46 H55 O6 V -","- C46 H55 O6 V -","- C184 H220 O24 V4 -","4","1","","Hoppe, Elke; Limberg, Christian; Ziemer, Burkhard","Mono- and Dinuclear Oxovanadium(V)calixarene Complexes and Their Activity as Oxidation Catalysts","Inorganic Chemistry","2006","45","20","8308","8317","10.1021/ic061106j","","","0.71073","MoKα","","0.0863","0.0454","","","0.0925","0.1033","","","","","","0.879","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332979","10.0549","0.0004","9.6066","0.0003","11.0306","0.0006","90","","114.097","0.004","90","","972.63","0.08","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C6 H20 Gd2 O21 -","- C6 Gd2 O20.5 -","- C12 Gd4 O41 -","2","0.5","","Cañadillas-Delgado, Laura; Pasán, Jorge; Fabelo, Oscar; Hernández-Molina, María; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Two- and Three-Dimensional Networks of Gadolinium(III) with Dicarboxylate Ligands: Synthesis, Crystal Structure, and Magnetic Properties","Inorganic Chemistry","2006","45","26","10585","10594","10.1021/ic061173d","","x-ray","0.71073","MoKα","","0.0621","0.0348","","","0.0803","0.0932","","","","","","0.795","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4333087","14.2009","0.0004","22.8865","0.0008","14.8558","0.0005","90","","114.799","0.001","90","","4383","0.2","153","2","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C24 N8 O40 Pd2 Si W12 -","- C24 N8 O40 Pd2 Si W12 -","- C48 N16 O80 Pd4 Si2 W24 -","2","0.5","","Uehara, Kazuhiro; Nakao, Hideaki; Kawamoto, Ryosuke; Hikichi, Shiro; Mizuno, Noritaka","2D-Grid Layered Pd-Based Cationic Infinite Coordination Polymer/Polyoxometalate Crystal with Hydrophilic Sorption","Inorganic Chemistry","2006","45","23","9448","9453","10.1021/ic061393r","","","0.71069","MoKα","","","0.0725","","","","0.2223","","","","","","0.866","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333107","15.6795","0.0004","21.3364","0.0007","16.1558","0.0006","90","","118.076","0.002","90","","4768.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C51 H41 Eu N3 O11.5 -","- C51 H39 Eu N3 O11.5 -","- C204 H156 Eu4 N12 O46 -","4","1","","Biju, S.; Raj, D. B. Ambili; Reddy, M. L. P.; Kariuki, B. M.","Synthesis, Crystal Structure, and Luminescent Properties of Novel Eu3+Heterocyclic β-Diketonate Complexes with Bidentate Nitrogen Donors","Inorganic Chemistry","2006","45","26","10651","10660","10.1021/ic061425a","","","1.54178","CuKα","","0.0473","0.0348","","","0.0895","0.0965","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333195","14.343","0.003","14.882","0.003","16.213","0.003","90","","93.958","0.015","90","","3452.5","1.2","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H61 Cl2 Ni2 P4 -","- C26 H61 Cl2 Ni2 P4 -","- C104 H244 Cl8 Ni8 P16 -","4","1","","Tyree, William S.; Vicic, David A.; Piccoli, Paula M. B.; Schultz, Arthur J.","Structural Factors Influencing Linear M−H−M Bonding in Bis(dialkylphosphino)methane Complexes of Nickel","Inorganic Chemistry","2006","45","22","8853","8855","10.1021/ic0617036","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333196","14.374","0.009","14.995","0.008","16.366","0.017","90","","94.557","0.008","90","","3516","5","183","2","183","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H61 Cl2 Ni2 P4 -","- C26 H61 Cl2 Ni2 P4 -","- C104 H244 Cl8 Ni8 P16 -","4","1","","Tyree, William S.; Vicic, David A.; Piccoli, Paula M. B.; Schultz, Arthur J.","Structural Factors Influencing Linear M−H−M Bonding in Bis(dialkylphosphino)methane Complexes of Nickel","Inorganic Chemistry","2006","45","22","8853","8855","10.1021/ic0617036","","","0.7107","MoKα","","0.038","0.0345","","","0.0746","0.0762","","","","","","1.175","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333756","18.1845","0.0007","25.8088","0.0008","19.7696","0.0008","90","","108.026","0.0019","90","","8822.9","0.6","150","2","150","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C62 H32 Cl6 Er2 F36 N4 O16 S8 -","- C62 H32 Cl6 Er2 F36 N4 O16 S8 -","- C248 H128 Cl24 Er8 F144 N16 O64 S32 -","4","1","","Fabrice Pointillart; Boris Le Guennic; Stéphane Golhen; Olivier Cador; Olivier Maury; Lahcène Ouahab","High Nuclearity Complexes of Lanthanide Involving Tetrathiafulvalene Ligands: Structural, Magnetic, and PhotoPhysical Properties","Inorganic Chemistry","2013","52","","1610","1620","10.1021/ic302532f","","","0.71073","MoKα","","0.1005","0.0553","","","0.1395","0.1761","","","","","","1.053","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4334046","17.0069","0.0002","24.7919","0.0003","27.3714","0.0004","90","","92.608","0.001","90","","11528.7","0.3","183","","183","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C134 N8 O80 Pd4 Si2 W20 -","- C134 N8 O80 Pd4 Si2 W20 -","- C268 N16 O160 Pd8 Si4 W40 -","2","0.5","","Tomohisa Hirano; Kazuhiro Uehara; Sayaka Uchida; Mitsuhiro Hibino; Keigo Kamata; Noritaka Mizuno","Synthesis and Structural Characterization of Inorganic-Organic-Inorganic Hybrids of Dipalladium-Substituted γ-Keggin Silicodecatungstates","Inorganic Chemistry","2013","52","","2662","2670","10.1021/ic302703k","","x-ray","0.71069","MoKα","","","0.0726","","","","0.2427","","","","","","1.112","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334047","30.4333","0.0002","26.6216","0.0002","31.2528","0.0002","90","","112.714","0.0003","90","","23356.7","0.3","153","","153","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C140 Cl2 N8 O80 Pd4 Si2 V0 W20 -","- C140.004 Cl2 N8 O80 Pd4 Si2 W20 -","- C560.016 Cl8 N32 O320 Pd16 Si8 W80 -","4","1","","Tomohisa Hirano; Kazuhiro Uehara; Sayaka Uchida; Mitsuhiro Hibino; Keigo Kamata; Noritaka Mizuno","Synthesis and Structural Characterization of Inorganic-Organic-Inorganic Hybrids of Dipalladium-Substituted γ-Keggin Silicodecatungstates","Inorganic Chemistry","2013","52","","2662","2670","10.1021/ic302703k","","x-ray","0.71069","MoKα","","","0.0809","","","","0.2746","","","","","","1.163","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334365","20.53","0.004","10.2424","0.0011","20.544","0.004","90","","103.761","0.015","90","","4195.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H54 Ce Mo O11 Sn -","- C29 H54 Ce Mo O11 Sn -","- C116 H216 Ce4 Mo4 O44 Sn4 -","4","1","","Johannes Schläfer; Stefan Stucky; Wieland Tyrra; Sanjay Mathur","Heterobi- and Trimetallic Cerium(IV) tert-Butoxides with Mono-, Di-, and Trivalent Metals (M= K(I), Ge(II), Sn(II), Pb(II), Al(III), Fe(III))","Inorganic Chemistry","2013","52","","4002","4010","10.1021/ic400030j","","","0.71073","MoKα","","0.2129","0.0543","","","0.0761","0.1022","","","","","","0.735","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334492","16.9554","0.0003","9.90919","0.00014","20.2316","0.0005","90","","113.859","0.003","90","","3108.71","0.13","110","0.1","110","0.1","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C32 H40 Cl2 N3 O1.5 P2 Ru -","- C32 H40 Cl2 N3 O1.5 P2 Ru -","- C128 H160 Cl8 N12 O6 P8 Ru4 -","4","1","","Aimee J. Gamble; Jason M. Lynam; Robert J. Thatcher; Paul H. Walton; Adrian C. Whitwood","cis-1,3,5-Triaminocyclohexane as a Facially Capping Ligand for Ruthenium(II)","Inorganic Chemistry","2013","52","","4517","4527","10.1021/ic302819j","","","0.7107","MoKα","","0.0403","0.0314","","","0.0689","0.0737","","","","","","1.073","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334994","17.6081","0.0002","13.565","0.0002","22.809","0.0005","90","","101.76","0.0005","90","","5333.66","0.15","170","","170","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C59 H49 Cl2 N6 P2 Re -","- C59 H49 Cl2 N6 P2 Re -","- C236 H196 Cl8 N24 P8 Re4 -","4","1","","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","","","0.0278","","","","0.0657","","","","","","1.065","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4335089","9.347","0.004","18.49","0.008","14.046","0.006","90","","102.817","0.008","90","","2367","1.8","293.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C20 H10 Cu0.5 F6 N O2 S5 -","- C20 H10 Cu0.5 F6 N O2 S5 -","- C80 H40 Cu2 F24 N4 O8 S20 -","4","1","","Sayo Yokota; Keijiro Tsujimoto; Sadayoshi Hayashi; Fabrice Pointillart; Lahcène Ouahab; Hideki Fujiwara","CuII and CuI Coordination Complexes Involving Two Tetrathiafulvalene-1,3-benzothiazole Hybrid Ligands and Their Radical Cation Salts","Inorganic Chemistry","2013","52","","6543","6550","10.1021/ic4005246","","","0.7107","MoKα","","","0.0578","","","","0.0398","","","","","","1.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335212","11.71243","0.00017","13.58998","0.00015","3.67828","0.00009","90","","97.629","0.004","90","","580.296","0.019","298","3","298","3","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H12 Cl2 N2 Ni -","- C12 Cl2 N2 Ni -","- C24 Cl4 N4 Ni2 -","2","0.5","","Miguel Cortijo; Santiago Herrero; Reyes Jiménez-Aparicio; Emilio Matesanz","Modulation of the Magnetic Properties of Two-Dimensional Compounds [NiX2(N-N)] by Tailoring Their Crystal Structure","Inorganic Chemistry","2013","52","","7087","7093","10.1021/ic400632c","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","5.8864","","","","","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335519","5.3914","0.0003","15.4836","0.001","11.9543","0.0008","90","","90.977","0.004","90","","997.78","0.11","200","","200","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C3 H5 F9 N2 Ti2 -","- C3 H5 F9 N2 Ti2 -","- C12 H20 F36 N8 Ti8 -","4","1","","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","","0.0731","0.0655","","","0.1526","0.1576","","","","","","1.221","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335567","9.211","0.0003","5.004","0.0002","8.0851","0.0003","90","","92.737","0.001","90","","372.23","0.02","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Ba Co2 O8 P2 -","- Ba Co2 O8 P2 -","- Ba2 Co4 O16 P4 -","2","0.5","","Rénald David; Houria Kabbour; Alain Pautrat; Olivier Mentré","Puzzling Polymorphism of Layered Ba(CoPO4)2","Inorganic Chemistry","2013","52","","8732","8737","10.1021/ic4009027","","","0.71069","MoKα","","0.045","0.0343","","","0.0361","0.0439","","","","1.99","1.99","2.17","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4335959","9.3811","0.0002","12.4639","0.0004","6.3211","0.0002","90","","104.566","0.002","90","","715.34","0.04","90","","90","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 O14 Rb2 Se2 -","- Cu H12 O14 Rb2 Se2 -","- Cu2 H24 O28 Rb4 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0217","0.022","","0.023","","0.023","","","1.278","","","1.28","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335960","9.3851","0.0002","12.4788","0.0004","6.3235","0.0002","90","","104.573","0.002","90","","716.75","0.04","130","","130","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 O14 Rb2 Se2 -","- Cu H12 O14 Rb2 Se2 -","- Cu2 H24 O28 Rb4 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0215","0.022","","0.022","","0.022","","","1.424","","","1.42","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335961","9.3926","0.0002","12.4986","0.0004","6.329","0.0002","90","","104.598","0.002","90","","719","0.04","170","","170","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 O14 Rb2 Se2 -","- Cu H12 O14 Rb2 Se2 -","- Cu2 H24 O28 Rb4 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0211","0.021","","0.02","","0.02","","","1.287","","","1.29","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335962","9.3974","0.0002","12.5143","0.0004","6.3347","0.0002","90","","104.625","0.002","90","","720.83","0.04","210","","210","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 O14 Rb2 Se2 -","- Cu H12 O14 Rb2 Se2 -","- Cu2 H24 O28 Rb4 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.02","0.02","","0.021","","0.021","","","1.3","","","1.3","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335963","9.3982","0.0002","12.5275","0.0004","6.3404","0.0002","90","","104.657","0.002","90","","722.2","0.04","240","","240","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 O14 Rb2 Se2 -","- Cu H12 O14 Rb2 Se2 -","- Cu2 H24 O28 Rb4 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0205","0.021","","0.021","","0.021","","","1.261","","","1.26","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335964","9.3991","0.0002","12.5403","0.0004","6.3465","0.0002","90","","104.683","0.002","90","","723.62","0.04","270","","270","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 O14 Rb2 Se2 -","- Cu H12 O14 Rb2 Se2 -","- Cu2 H24 O28 Rb4 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.02","0.02","","0.021","","0.021","","","1.366","","","1.37","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335965","9.3985","0.0002","12.556","0.0003","6.354","0.0002","90","","104.716","0.0013","90","","725.22","0.03","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 O14 Rb2 Se2 -","- Cu H12 O14 Rb2 Se2 -","- Cu2 H24 O28 Rb4 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0204","0.02","","0.022","","0.022","","","1.544","","","1.54","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335966","9.3532","0.0003","12.4355","0.0003","6.3154","0.0002","90","","104.496","0.001","90","","711.17","0.04","90","","90","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.248 O14 Rb1.752 Se2 -","- Cu H12 K0.248 O14 Rb1.752 Se2 -","- Cu2 H24 K0.496 O28 Rb3.504 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0242","0.024","","0.026","","0.026","","","1.576","","","1.58","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335967","9.3578","0.0003","12.449","0.0003","6.3189","0.0002","90","","104.518","0.002","90","","712.62","0.04","130","","130","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.268 O14 Rb1.732 Se2 -","- Cu H12 K0.268 O14 Rb1.7314 Se2 -","- Cu2 H24 K0.536 O28 Rb3.4628 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0247","0.025","","0.027","","0.027","","","1.692","","","1.69","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335968","9.3636","0.0002","12.4659","0.0002","6.3238","0.0001","90","","104.549","0.0011","90","","714.48","0.02","170","","170","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.26 O14 Rb1.74 Se2 -","- Cu H12 K0.26 O14 Rb1.74 Se2 -","- Cu2 H24 K0.52 O28 Rb3.48 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0223","0.022","","0.021","","0.021","","","1.528","","","1.53","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335969","9.3683","0.0003","12.4828","0.0004","6.3321","0.0002","90","","104.586","0.002","90","","716.63","0.04","210","","210","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.25 O14 Rb1.75 Se2 -","- Cu H12 K0.25 O14 Rb1.7496 Se2 -","- Cu2 H24 K0.5 O28 Rb3.4992 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0279","0.028","","0.028","","0.028","","","1.523","","","1.52","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335970","9.3688","0.0003","12.4969","0.0004","6.3379","0.0002","90","","104.615","0.002","90","","718.04","0.04","240","","240","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.252 O14 Rb1.748 Se2 -","- Cu H12 K0.2518 O14 Rb1.748 Se2 -","- Cu2 H24 K0.5036 O28 Rb3.496 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0295","0.03","","0.03","","0.03","","","1.593","","","1.59","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335971","9.37","0.0002","12.5081","0.0002","6.3463","0.0001","90","","104.622","0.0012","90","","719.7","0.02","270","","270","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.258 O14 Rb1.742 Se2 -","- Cu H12 K0.2578 O14 Rb1.7422 Se2 -","- Cu2 H24 K0.5156 O28 Rb3.4844 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0226","0.023","","0.023","","0.023","","","1.617","","","1.62","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335972","9.366","0.0004","12.5179","0.0005","6.3535","0.0003","90","","104.642","0.002","90","","720.71","0.05","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.246 O14 Rb1.754 Se2 -","- Cu H12 K0.246 O14 Rb1.754 Se2 -","- Cu2 H24 K0.492 O28 Rb3.508 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0277","0.028","","0.029","","0.029","","","1.47","","","1.47","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335973","9.3342","0.0003","12.4193","0.0003","6.3112","0.0002","90","","104.419","0.001","90","","708.58","0.04","85","","85","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.519 O14 Rb1.481 Se2 -","- Cu H12 K0.518 O14 Rb1.4812 Se2 -","- Cu2 H24 K1.036 O28 Rb2.9624 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0198","0.02","","0.021","","0.021","","","1.345","","","1.34","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335974","9.3295","0.0003","12.4126","0.0003","6.3095","0.0002","90","","104.419","0.0012","90","","707.65","0.04","130","","130","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.534 O14 Rb1.466 Se2 -","- Cu H12 K0.534 O14 Rb1.466 Se2 -","- Cu2 H24 K1.068 O28 Rb2.932 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0208","0.021","","0.021","","0.021","","","1.198","","","1.2","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335975","9.3381","0.0003","12.4331","0.0003","6.3163","0.0002","90","","104.445","0.002","90","","710.15","0.04","170","","170","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.526 O14 Rb1.474 Se2 -","- Cu H12 K0.526 O14 Rb1.4742 Se2 -","- Cu2 H24 K1.052 O28 Rb2.9484 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.021","0.021","","0.022","","0.022","","","1.242","","","1.24","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335976","9.3399","0.0003","12.4495","0.0003","6.3246","0.0002","90","","104.466","0.001","90","","712.09","0.04","210","","210","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.52 O14 Rb1.48 Se2 -","- Cu H12 K0.52 O14 Rb1.4804 Se2 -","- Cu2 H24 K1.04 O28 Rb2.9608 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0188","0.019","","0.019","","0.019","","","1.239","","","1.24","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335977","9.3391","0.0003","12.4605","0.0003","6.3328","0.0002","90","","104.485","0.002","90","","713.52","0.04","240","","240","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.523 O14 Rb1.477 Se2 -","- Cu H12 K0.524 O14 Rb1.4766 Se2 -","- Cu2 H24 K1.048 O28 Rb2.9532 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0184","0.018","","0.019","","0.019","","","1.237","","","1.24","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335978","9.3369","0.0003","12.4707","0.0003","6.3437","0.0002","90","","104.495","0.002","90","","715.13","0.04","270","","270","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.52 O14 Rb1.48 Se2 -","- Cu H12 K0.52 O14 Rb1.4804 Se2 -","- Cu2 H24 K1.04 O28 Rb2.9608 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0184","0.018","","0.019","","0.019","","","1.326","","","1.33","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335979","9.3336","0.0003","12.4775","0.0004","6.3543","0.0002","90","","104.49","0.002","90","","716.48","0.04","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.527 O14 Rb1.473 Se2 -","- Cu H12 K0.528 O14 Rb1.473 Se2 -","- Cu2 H24 K1.056 O28 Rb2.946 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0214","0.021","","0.022","","0.022","","","1.545","","","1.54","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335980","9.3184","0.0001","12.3936","0.0002","6.3027","0.0001","90","","104.375","0.0009","90","","705.101","0.018","90","","90","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.636 O14 Rb1.364 Se2 -","- Cu H12 K0.636 O14 Rb1.364 Se2 -","- Cu2 H24 K1.272 O28 Rb2.728 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0202","0.02","","0.022","","0.022","","","1.902","","","1.9","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335981","9.323","0.0002","12.4093","0.0004","6.3082","0.0002","90","","104.402","0.002","90","","706.87","0.04","130","","130","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.628 O14 Rb1.372 Se2 -","- Cu H12 K0.628 O14 Rb1.372 Se2 -","- Cu2 H24 K1.256 O28 Rb2.744 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0211","0.021","","0.024","","0.024","","","1.635","","","1.63","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335982","9.3262","0.0002","12.4237","0.0004","6.3148","0.0002","90","","104.426","0.002","90","","708.6","0.04","170","","170","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.636 O14 Rb1.364 Se2 -","- Cu H12 K0.636 O14 Rb1.3642 Se2 -","- Cu2 H24 K1.272 O28 Rb2.7284 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0193","0.019","","0.023","","0.023","","","1.685","","","1.69","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335983","9.3262","0.0002","12.4351","0.0004","6.3239","0.0002","90","","104.441","0.002","90","","710.23","0.04","210","","210","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.63 O14 Rb1.37 Se2 -","- Cu H12 K0.63 O14 Rb1.3702 Se2 -","- Cu2 H24 K1.26 O28 Rb2.7404 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.02","0.02","","0.023","","0.023","","","1.676","","","1.68","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335984","9.3221","0.0002","12.444","0.0003","6.3348","0.0001","90","","104.429","0.0012","90","","711.68","0.03","240","","240","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.643 O14 Rb1.357 Se2 -","- Cu H12 K0.642 O14 Rb1.3572 Se2 -","- Cu2 H24 K1.284 O28 Rb2.7144 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0214","0.021","","0.023","","0.023","","","1.976","","","1.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335985","9.3171","0.0002","12.4522","0.0004","6.3472","0.0002","90","","104.436","0.002","90","","713.14","0.04","270","","270","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.64 O14 Rb1.36 Se2 -","- Cu H12 K0.642 O14 Rb1.359 Se2 -","- Cu2 H24 K1.284 O28 Rb2.718 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0217","0.022","","0.024","","0.024","","","1.767","","","1.77","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335986","9.3153","0.0002","12.4599","0.0003","6.3572","0.0002","90","","104.431","0.001","90","","714.58","0.03","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.638 O14 Rb1.362 Se2 -","- Cu H12 K0.638 O14 Rb1.3624 Se2 -","- Cu2 H24 K1.276 O28 Rb2.7248 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0223","0.022","","0.023","","0.023","","","1.703","","","1.7","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335987","9.3154","0.0002","12.4668","0.0005","6.3599","0.0003","90","","104.445","0.002","90","","715.25","0.05","310","","310","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.632 O14 Rb1.368 Se2 -","- Cu H12 K0.632 O14 Rb1.3676 Se2 -","- Cu2 H24 K1.264 O28 Rb2.7352 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0228","0.023","","0.025","","0.025","","","1.468","","","1.47","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335988","9.3158","0.0003","12.4672","0.0006","6.3623","0.0003","90","","104.443","0.003","90","","715.58","0.05","315","","315","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.636 O14 Rb1.364 Se2 -","- Cu H12 K0.636 O14 Rb1.364 Se2 -","- Cu2 H24 K1.272 O28 Rb2.728 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0258","0.026","","0.027","","0.027","","","1.502","","","1.5","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335989","9.3092","0.0002","12.3748","0.0003","6.2996","0.0002","90","","104.334","0.002","90","","703.12","0.03","90","","90","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.711 O14 Rb1.289 Se2 -","- Cu H12 K0.712 O14 Rb1.2888 Se2 -","- Cu2 H24 K1.424 O28 Rb2.5776 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0177","0.018","","0.02","","0.02","","","1.326","","","1.33","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335990","9.3121","0.0002","12.3865","0.0005","6.3033","0.0002","90","","104.36","0.002","90","","704.33","0.04","130","","130","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.72 O14 Rb1.28 Se2 -","- Cu H12 K0.72 O14 Rb1.2802 Se2 -","- Cu2 H24 K1.44 O28 Rb2.5604 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0203","0.02","","0.024","","0.024","","","1.371","","","1.37","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335991","9.3147","0.0002","12.4","0.0004","6.3096","0.0002","90","","104.381","0.002","90","","705.94","0.04","170","","170","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.714 O14 Rb1.286 Se2 -","- Cu H12 K0.714 O14 Rb1.2852 Se2 -","- Cu2 H24 K1.428 O28 Rb2.5704 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0191","0.019","","0.023","","0.023","","","1.328","","","1.33","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335992","9.314","0.0002","12.4145","0.0004","6.3209","0.0002","90","","104.396","0.002","90","","707.93","0.04","210","","210","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.714 O14 Rb1.286 Se2 -","- Cu H12 K0.714 O14 Rb1.2858 Se2 -","- Cu2 H24 K1.428 O28 Rb2.5716 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0216","0.022","","0.026","","0.026","","","1.508","","","1.51","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335993","9.3094","0.0002","12.4242","0.0003","6.3357","0.0001","90","","104.374","0.0012","90","","709.86","0.03","240","","240","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.724 O14 Rb1.276 Se2 -","- Cu H12 K0.724 O14 Rb1.276 Se2 -","- Cu2 H24 K1.448 O28 Rb2.552 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0213","0.021","","0.024","","0.024","","","1.713","","","1.71","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335994","9.3017","0.0002","12.4232","0.0004","6.3417","0.0002","90","","104.379","0.002","90","","709.87","0.04","255","","255","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.716 O14 Rb1.284 Se2 -","- Cu H12 K0.716 O14 Rb1.2842 Se2 -","- Cu2 H24 K1.432 O28 Rb2.5684 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0227","0.023","","0.026","","0.026","","","1.527","","","1.53","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335995","9.3002","0.0001","12.4295","0.0002","6.3517","0.0001","90","","104.358","0.0009","90","","711.302","0.018","270","","270","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.734 O14 Rb1.266 Se2 -","- Cu H12 K0.734 O14 Rb1.2656 Se2 -","- Cu2 H24 K1.468 O28 Rb2.5312 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0194","0.019","","0.019","","0.019","","","1.618","","","1.62","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335996","9.3021","0.0002","12.4428","0.0004","6.3617","0.0002","90","","104.36","0.002","90","","713.32","0.04","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.718 O14 Rb1.282 Se2 -","- Cu H12 K0.7176 O14 Rb1.2824 Se2 -","- Cu2 H24 K1.4352 O28 Rb2.5648 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0209","0.021","","0.023","","0.023","","","1.325","","","1.33","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335997","9.3054","0.0004","12.3738","0.0005","6.2993","0.0003","90","","104.337","0.002","90","","702.73","0.05","90","","90","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.795 O14 Rb1.205 Se2 -","- Cu H12 K0.794 O14 Rb1.2054 Se2 -","- Cu2 H24 K1.588 O28 Rb2.4108 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0223","0.022","","0.023","","0.023","","","1.266","","","1.27","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335998","9.3083","0.0003","12.3865","0.0004","6.3022","0.0002","90","","104.344","0.002","90","","703.97","0.04","130","","130","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.78 O14 Rb1.22 Se2 -","- Cu H12 K0.78 O14 Rb1.22 Se2 -","- Cu2 H24 K1.56 O28 Rb2.44 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0207","0.021","","0.021","","0.021","","","1.257","","","1.26","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335999","9.3089","0.0003","12.3982","0.0004","6.3087","0.0001","90","","104.356","0.002","90","","705.37","0.03","170","","170","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.78 O14 Rb1.22 Se2 -","- Cu H12 K0.786 O14 Rb1.2196 Se2 -","- Cu2 H24 K1.572 O28 Rb2.4392 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0215","0.021","","0.021","","0.021","","","1.364","","","1.36","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336000","9.3084","0.0003","12.4065","0.0005","6.3159","0.0001","90","","104.357","0.002","90","","706.61","0.04","190","","190","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.772 O14 Rb1.228 Se2 -","- Cu H12 K0.772 O14 Rb1.2282 Se2 -","- Cu2 H24 K1.544 O28 Rb2.4564 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0216","0.022","","0.022","","0.022","","","1.382","","","1.38","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336001","9.3032","0.0003","12.41","0.0005","6.323","0.0001","90","","104.351","0.002","90","","707.23","0.04","210","","210","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.787 O14 Rb1.213 Se2 -","- Cu H12 K0.788 O14 Rb1.2126 Se2 -","- Cu2 H24 K1.576 O28 Rb2.4252 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.024","0.024","","0.026","","0.026","","","1.655","","","1.65","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336002","9.2933","0.0003","12.4104","0.0005","6.3347","0.0002","90","","104.314","0.002","90","","707.92","0.04","225","","225","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.782 O14 Rb1.218 Se2 -","- Cu H12 K0.782 O14 Rb1.219 Se2 -","- Cu2 H24 K1.564 O28 Rb2.438 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0276","0.028","","0.028","","0.028","","","1.812","","","1.81","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336003","9.29","0.0004","12.4107","0.0005","6.3395","0.0002","90","","104.306","0.002","90","","708.25","0.05","230","","230","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.77 O14 Rb1.23 Se2 -","- Cu H12 K0.77 O14 Rb1.2294 Se2 -","- Cu2 H24 K1.54 O28 Rb2.4588 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0264","0.026","","0.027","","0.027","","","1.693","","","1.69","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336004","9.2822","0.0003","12.4069","0.0005","6.3455","0.0002","90","","104.282","0.002","90","","708.18","0.04","235","","235","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.786 O14 Rb1.214 Se2 -","- Cu H12 K0.786 O14 Rb1.214 Se2 -","- Cu2 H24 K1.572 O28 Rb2.428 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0264","0.026","","0.027","","0.027","","","1.678","","","1.68","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336005","9.281","0.0003","12.4109","0.0005","6.3544","0.0001","90","","104.26","0.002","90","","709.38","0.04","240","","240","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.772 O14 Rb1.228 Se2 -","- Cu H12 K0.772 O14 Rb1.2284 Se2 -","- Cu2 H24 K1.544 O28 Rb2.4568 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0236","0.024","","0.025","","0.025","","","1.654","","","1.65","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336006","9.2809","0.0003","12.4147","0.0004","6.3593","0.0001","90","","104.258","0.002","90","","710.15","0.03","255","","255","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.782 O14 Rb1.218 Se2 -","- Cu H12 K0.782 O14 Rb1.218 Se2 -","- Cu2 H24 K1.564 O28 Rb2.436 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0207","0.021","","0.021","","0.021","","","1.431","","","1.43","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336007","9.2844","0.0003","12.4217","0.0005","6.362","0.0002","90","","104.265","0.002","90","","711.09","0.04","270","","270","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.77 O14 Rb1.23 Se2 -","- Cu H12 K0.77 O14 Rb1.2296 Se2 -","- Cu2 H24 K1.54 O28 Rb2.4592 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0203","0.02","","0.02","","0.02","","","1.342","","","1.34","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336008","9.2922","0.0002","12.4333","0.0003","6.3652","0.0002","90","","104.295","0.0013","90","","712.62","0.03","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.784 O14 Rb1.216 Se2 -","- Cu H12 K0.784 O14 Rb1.2164 Se2 -","- Cu2 H24 K1.568 O28 Rb2.4328 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0187","0.019","","0.02","","0.02","","","1.408","","","1.41","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336009","9.2979","0.0002","12.3626","0.0003","6.2966","0.0002","90","","104.31","0.0013","90","","701.31","0.03","90","","90","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.831 O14 Rb1.169 Se2 -","- Cu H12 K0.831 O14 Rb1.168 Se2 -","- Cu2 H24 K1.662 O28 Rb2.336 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0202","0.02","","0.021","","0.021","","","1.285","","","1.28","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336010","9.3035","0.0002","12.3798","0.0003","6.3023","0.0002","90","","104.329","0.0013","90","","703.29","0.03","130","","130","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.82 O14 Rb1.18 Se2 -","- Cu H12 K0.8204 O14 Rb1.18 Se2 -","- Cu2 H24 K1.6408 O28 Rb2.36 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0191","0.019","","0.021","","0.021","","","1.364","","","1.36","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336011","9.307","0.0002","12.3932","0.0003","6.3092","0.0002","90","","104.346","0.0012","90","","705.03","0.03","170","","170","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.821 O14 Rb1.179 Se2 -","- Cu H12 K0.826 O14 Rb1.1746 Se2 -","- Cu2 H24 K1.652 O28 Rb2.3492 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.02","0.02","","0.021","","0.021","","","1.394","","","1.39","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336012","9.3055","0.0002","12.4003","0.0003","6.3154","0.0002","90","","104.339","0.0013","90","","706.04","0.03","190","","190","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.821 O14 Rb1.179 Se2 -","- Cu H12 K0.822 O14 Rb1.1788 Se2 -","- Cu2 H24 K1.644 O28 Rb2.3576 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0212","0.021","","0.024","","0.024","","","1.614","","","1.61","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336013","9.2928","0.0003","12.3922","0.0004","6.3269","0.0002","90","","104.297","0.002","90","","706.03","0.04","200","","200","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.82 O14 Rb1.18 Se2 -","- Cu H12 K0.82 O14 Rb1.18 Se2 -","- Cu2 H24 K1.64 O28 Rb2.36 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0381","0.038","","0.039","","0.039","","","2.455","","","2.45","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336014","9.2511","0.0003","12.3828","0.0003","6.3675","0.0002","90","","104.071","0.0013","90","","707.54","0.04","210","","210","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.824 O14 Rb1.176 Se2 -","- Cu H12 K0.824 O14 Rb1.176 Se2 -","- Cu2 H24 K1.648 O28 Rb2.352 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0199","0.02","","0.022","","0.022","","","1.435","","","1.43","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336015","9.2644","0.0002","12.3968","0.0003","6.3637","0.0002","90","","104.16","0.0013","90","","708.66","0.03","240","","240","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.816 O14 Rb1.184 Se2 -","- Cu H12 K0.816 O14 Rb1.1842 Se2 -","- Cu2 H24 K1.632 O28 Rb2.3684 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0192","0.019","","0.021","","0.021","","","1.435","","","1.43","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336016","9.2763","0.0002","12.4118","0.0003","6.3643","0.0002","90","","104.22","0.0013","90","","710.3","0.03","270","","270","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.828 O14 Rb1.172 Se2 -","- Cu H12 K0.828 O14 Rb1.1722 Se2 -","- Cu2 H24 K1.656 O28 Rb2.3444 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0186","0.019","","0.02","","0.02","","","1.393","","","1.39","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336017","9.2833","0.0002","12.4218","0.0003","6.3657","0.0002","90","","104.252","0.002","90","0.03","711.47","0.03","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.81 O14 Rb1.19 Se2 -","- Cu H12 K0.81 O14 Rb1.19 Se2 -","- Cu2 H24 K1.62 O28 Rb2.38 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0184","0.018","","0.02","","0.02","","","1.397","","","1.4","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336018","9.2009","0.0002","12.3225","0.0003","6.3582","0.0002","90","","103.729","0.0013","90","","700.28","0.03","90","","90","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K1.012 O14 Rb0.988 Se2 -","- Cu H12 K1.012 O14 Rb0.987 Se2 -","- Cu2 H24 K2.024 O28 Rb1.974 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0193","0.019","","0.02","","0.02","","","1.291","","","1.29","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336019","9.2132","0.0002","12.3355","0.0003","6.3628","0.0002","90","","103.783","0.002","90","","702.31","0.03","130","","130","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K1.008 O14 Rb0.992 Se2 -","- Cu H12 K1.008 O14 Rb0.9914 Se2 -","- Cu2 H24 K2.016 O28 Rb1.9828 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0194","0.019","","0.02","","0.02","","","1.214","","","1.21","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336020","9.2205","0.0002","12.3439","0.0003","6.3635","0.0002","90","","103.853","0.0013","90","","703.21","0.03","170","","170","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.996 O14 Rb1.004 Se2 -","- Cu H12 K0.996 O14 Rb1.0048 Se2 -","- Cu2 H24 K1.992 O28 Rb2.0096 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0179","0.018","","0.019","","0.019","","","1.324","","","1.32","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336021","9.2356","0.0004","12.3614","0.0006","6.3658","0.0003","90","","103.935","0.003","90","","705.36","0.06","210","","210","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.999 O14 Rb1.001 Se2 -","- Cu H12 K O14 Rb1.0006 Se2 -","- Cu2 H24 K2 O28 Rb2.0012 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0203","0.02","","0.023","","0.023","","","1.185","","","1.18","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336022","9.245","0.0002","12.373","0.0003","6.3648","0.0002","90","","104.009","0.001","90","","706.41","0.03","240","","240","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.979 O14 Rb1.021 Se2 -","- Cu H12 K0.9794 O14 Rb1.02 Se2 -","- Cu2 H24 K1.9588 O28 Rb2.04 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0185","0.018","","0.019","","0.019","","","1.271","","","1.27","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336023","9.2572","0.0003","12.3887","0.0004","6.3667","0.0002","90","","104.062","0.002","90","","708.28","0.04","270","","270","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.994 O14 Rb1.006 Se2 -","- Cu H12 K0.994 O14 Rb1.0066 Se2 -","- Cu2 H24 K1.988 O28 Rb2.0132 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.019","0.019","","0.021","","0.021","","","1.328","","","1.33","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336024","9.2654","0.0002","12.4017","0.0004","6.3686","0.0002","90","","104.114","0.002","90","","709.7","0.04","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.979 O14 Rb1.021 Se2 -","- Cu H12 K0.978 O14 Rb1.0212 Se2 -","- Cu2 H24 K1.956 O28 Rb2.0424 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0186","0.019","","0.02","","0.02","","","1.363","","","1.36","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336025","9.1628","0.0002","12.2679","0.0003","6.3358","0.0002","90","","103.367","0.001","90","","692.9","0.03","90","","90","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K1.456 O14 Rb0.544 Se2 -","- Cu H12 K1.456 O14 Rb0.5442 Se2 -","- Cu2 H24 K2.912 O28 Rb1.0884 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0212","0.021","","0.022","","0.022","","","1.344","","","1.34","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336026","9.1728","0.0002","12.2762","0.0003","6.3399","0.0002","90","","103.437","0.001","90","","694.38","0.03","140","","140","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K1.465 O14 Rb0.535 Se2 -","- Cu H12 K1.465 O14 Rb0.534 Se2 -","- Cu2 H24 K2.93 O28 Rb1.068 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0203","0.02","","0.02","","0.02","","","1.283","","","1.28","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336027","9.1885","0.0002","12.2942","0.0003","6.3469","0.0001","90","","103.517","0.0013","90","","697.12","0.03","190","","190","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K1.459 O14 Rb0.541 Se2 -","- Cu H12 K1.4586 O14 Rb0.542 Se2 -","- Cu2 H24 K2.9172 O28 Rb1.084 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0204","0.02","","0.02","","0.02","","","1.37","","","1.37","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336028","9.194","0.0002","12.3017","0.0003","6.3483","0.0002","90","","103.591","0.001","90","","697.9","0.03","220","","220","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K1.451 O14 Rb0.549 Se2 -","- Cu H12 K1.4508 O14 Rb0.55 Se2 -","- Cu2 H24 K2.9016 O28 Rb1.1 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0204","0.02","","0.021","","0.021","","","1.396","","","1.4","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336029","9.2045","0.0002","12.3143","0.0004","6.3515","0.0002","90","","103.654","0.002","90","","699.58","0.04","250","","250","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K1.446 O14 Rb0.554 Se2 -","- Cu H12 K1.4458 O14 Rb0.554 Se2 -","- Cu2 H24 K2.8916 O28 Rb1.108 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0207","0.021","","0.021","","0.021","","","1.393","","","1.39","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336030","9.2207","0.0002","12.3347","0.0003","6.3561","0.0002","90","","103.767","0.002","90","","702.14","0.03","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K1.456 O14 Rb0.544 Se2 -","- Cu H12 K1.4564 O14 Rb0.544 Se2 -","- Cu2 H24 K2.9128 O28 Rb1.088 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0184","0.018","","0.02","","0.02","","","1.339","","","1.34","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336031","9.1216","0.0001","12.2177","0.0002","6.3082","0.0001","90","","102.934","0.0007","90","","685.181","0.017","85","","85","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K2 O14 Se2 -","- Cu H12 K2 O14 Se2 -","- Cu2 H24 K4 O28 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0213","0.021","","0.025","","0.025","","","1.443","","","1.44","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336032","9.1392","0.0001","12.2346","0.0002","6.3211","0.0001","90","","103.048","0.0007","90","","688.543","0.017","170","","170","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K2 O14 Se2 -","- Cu H12 K2 O14 Se2 -","- Cu2 H24 K4 O28 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0202","0.02","","0.024","","0.024","","","1.495","","","1.5","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336033","9.1496","0.0002","12.2443","0.0003","6.327","0.0001","90","","103.154","0.001","90","","690.22","0.03","210","","210","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K2 O14 Se2 -","- Cu H12 K2 O14 Se2 -","- Cu2 H24 K4 O28 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0177","0.018","","0.021","","0.021","","","1.437","","","1.44","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336034","9.1617","0.0002","12.2559","0.0003","6.3327","0.0002","90","","103.183","0.0008","90","","692.33","0.03","240","","240","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K2 O14 Se2 -","- Cu H12 K2 O14 Se2 -","- Cu2 H24 K4 O28 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0188","0.019","","0.022","","0.022","","","1.392","","","1.39","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336035","9.1771","0.0001","12.2753","0.0002","6.3405","0.0001","90","","103.321","0.0008","90","","695.05","0.018","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K2 O14 Se2 -","- Cu H12 K2 O14 Se2 -","- Cu2 H24 K4 O28 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0209","0.021","","0.023","","0.023","","","1.389","","","1.39","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336036","9.1826","0.0005","12.2882","0.0009","6.3449","0.0005","90","","103.368","0.004","90","","696.55","0.08","320","","320","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K2 O14 Se2 -","- Cu H12 K2 O14 Se2 -","- Cu2 H24 K4 O28 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0211","0.021","","0.027","","0.027","","","1.294","","","1.29","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336037","9.214","0.0002","12.3957","0.0003","6.2785","0.0001","90","","104.201","0.0012","90","","695.18","0.03","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- H12 K2 O14 Se2 Zn -","- H12 K2 O14 Se2 Zn -","- H24 K4 O28 Se4 Zn2 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0173","0.017","","0.019","","0.019","","","1.426","","","1.43","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336038","9.3149","0.0002","12.5466","0.0003","6.3433","0.0001","90","","105.025","0.0013","90","","716","0.03","100","","100","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- H12 O14 Rb2 Se2 Zn -","- H12 O14 Rb2 Se2 Zn -","- H24 O28 Rb4 Se4 Zn2 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0191","0.019","","0.021","","0.021","","","1.421","","","1.42","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336707","14.5599","0.0006","15.9732","0.0007","15.5271","0.0016","90","","104.473","0.006","90","","3496.5","0.4","208","2","208","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C64 H72 Cl6 N6 O14 Zn4 -","- C64 H72 Cl6 N6 O14 Zn4 -","- C128 H144 Cl12 N12 O28 Zn8 -","2","0.5","","Femke F. B. J. Janssen; Laurens C. J. M. Peters; Paul P. J. Schlebos; Jan M. M. Smits; René de Gelder; Alan E. Rowan","Uncorrelated Dynamical Processes in Tetranuclear Carboxylate Clusters Studied by Variable-Temperature 1H NMR Spectroscopy.","Inorganic Chemistry","2013","52","","13004","13013","10.1021/ic401522v","","","0.71073","MoKα","","0.0854","0.0605","","0.1676","0.15","0.1676","","","1.031","","","1.031","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336907","7.858","0.0004","31.746","0.0018","9.062","0.0004","90","","112.482","0.003","90","","2088.8","0.19","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C25 H29 Co N2 -","- C25 H29 Co N2 -","- C100 H116 Co4 N8 -","4","1","","Thomas Pugh; Samuel D. Cosham; Jeff A. Hamilton; Andrew J. Kingsley; Andrew L. Johnson","Cobalt(III) Diazabutadiene Precursors for Metal Deposition: Nanoparticle and Thin Film Growth","Inorganic Chemistry","2013","52","","13719","13729","10.1021/ic402317g","","","0.71073","MoKα","","0.2204","0.0754","","","0.0861","0.1206","","","","","","1.018","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4337012","14.68142","0.00019","19.3286","0.0003","21.2712","0.0004","90","","90.1116","0.0013","90","","6036.14","0.17","109","2","109","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C55 H87 Ga4 N3 Pt3 -","- C55 H87 Ga4 N3 Pt3 -","- C220 H348 Ga16 N12 Pt12 -","4","1","","Mariusz Molon; Katharina Dilchert; Christian Gemel; Rüdiger W. Seidel; Julian Schaumann; Roland A. Fischer","Clusters [Ma(GaCp*)b(CNR)c] (M = Ni, Pd, Pt): Synthesis, Structure, and Ga/Zn Exchange Reactions","Inorganic Chemistry","2013","52","","14275","14283","10.1021/ic4022189","","","1.54184","CuKα","","0.0789","0.0604","","","0.1376","0.1505","","","","","","1.137","","","","has coordinates,has disorder","179473","2020-10-21","18:00:00",""
"4337471","30.9156","0.0019","15.34138","0.00087","7.36774","0.0004","90","","95.2747","0.0043","90","","3479.6","0.3","298","","298","","","","","","","","Phase transition","6","P 1 21/a 1","-P 2yab","14","","[(eta6-p-cymene)Ru(II)Cl2(isonicotinic acid)]","","- C16 H19 Cl2 N O2 Ru -","- C16 H19 Cl2 N O2 Ru -","- C128 H152 Cl16 N8 O16 Ru8 -","8","2","","Chierotti, Michele R.; Gobetto, Roberto; Nervi, Carlo; Bacchi, Alessia; Pelagatti, Paolo; Colombo, Valentina; Sironi, Angelo","Probing hydrogen bond networks in half-sandwich Ru(II) building blocks by a combined 1H DQ CRAMPS solid-state NMR, XRPD, and DFT approach.","Inorganic chemistry","2014","53","1","139","146","10.1021/ic401762z","powder diffraction","","1.54056","CuKα11.54056CuKα21.54439","","","","","","","","","","2.34","","","","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337635","21.444","0.005","24.029","0.005","23.796","0.005","90","0.005","100.675","0.005","90","0.005","12049","5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C44 H99 Ce3 O11 -","- C44 H99 Ce3 O11 -","- C352 H792 Ce24 O88 -","8","2","","Schläfer, Johannes; Tyrra, Wieland; Mathur, Sanjay","Octakis(tert-butoxo)dicerium(IV) [Ce2(O(t)Bu)8]: Synthesis, Characterization, Decomposition, and Reactivity.","Inorganic chemistry","2014","53","6","2751","2753","10.1021/ic4025876","","","0.71073","MoKα","","0.103","0.0523","","","0.1387","0.1675","","","","","","0.917","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338096","11.3747","0.0004","12.1459","0.0004","12.6348","0.0005","90","","92.6352","0.0007","90","","1743.73","0.11","298","2","298.15","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H13 Cl Cu2 N2 O8 -","- C14 H13 Cl Cu2 N2 O8 -","- C56 H52 Cl4 Cu8 N8 O32 -","4","1","","Liu, Min-Min; Hou, Juan-Juan; Qi, Zhi-Kai; Duan, Li Na; Ji, Wen-Juan; Han, Cai-Yun; Zhang, Xian-Ming","Tuning of valence States, bonding types, hierarchical structures, and physical properties in copper/halide/isonicotinate system.","Inorganic chemistry","2014","53","8","4130","4143","10.1021/ic5001232","","","0.71073","MOKα","","0.0292","0.0263","","","0.075","0.0768","","","","","","1.065","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338146","8.059","0.001","14.707","0.001","12.526","0.001","90","","90.093","0.002","90","","1484.6","0.2","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C12 H15 Ag B F4 N3 O -","- C12 H15 Ag B F4 N3 O -","- C48 H60 Ag4 B4 F16 N12 O4 -","4","1","","Bassanetti, Irene; Twist, Christina P.; Kim, Myung-Gil; Seyam, Afif M.; Bazzi, Hassan S.; Wang, Q. Jane; Chung, Yip-Wah; Marchió, Luciano; Delferro, Massimiliano; Marks, Tobin J.","Synthesis and characterization of silver(i) pyrazolylmethylpyridine complexes and their implementation as metallic silver thin film precursors.","Inorganic chemistry","2014","53","9","4629","4638","10.1021/ic500321w","","","0.71073","MoKα","","0.0613","0.0446","","","0.126","0.1386","","","","","","1.038","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338149","7.478","0.002","22.283","0.006","9.195","0.003","90","","109.168","0.005","90","","1447.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H15 Ag N4 O4 -","- C12 H15 Ag N4 O4 -","- C48 H60 Ag4 N16 O16 -","4","1","","Bassanetti, Irene; Twist, Christina P.; Kim, Myung-Gil; Seyam, Afif M.; Bazzi, Hassan S.; Wang, Q. Jane; Chung, Yip-Wah; Marchió, Luciano; Delferro, Massimiliano; Marks, Tobin J.","Synthesis and characterization of silver(i) pyrazolylmethylpyridine complexes and their implementation as metallic silver thin film precursors.","Inorganic chemistry","2014","53","9","4629","4638","10.1021/ic500321w","","","0.71073","MoKα","","0.0564","0.0376","","","0.0918","0.1012","","","","","","1.014","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338271","8.2395","0.0002","20.3085","0.0009","13.6924","0.0005","90","","102.441","0.002","90","","2237.37","0.14","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H18 N8 Ni O2 -","- C24 H18 N8 Ni O2 -","- C96 H72 N32 Ni4 O8 -","4","1","","Lytvynenko, A. S.; Kolotilov, S. V.; Kiskin, M. A.; Cador, O.; Golhen, S.; Aleksandrov, G. G.; Mishura, A. M.; Titov, V. E.; Ouahab, L.; Eremenko, I. L.; Novotortsev, V. M.","Redox-Active Porous Coordination Polymers Prepared by Trinuclear Heterometallic Pivalate Linking with the Redox-Active Nickel(II) Complex: Synthesis, Structure, Magnetic and Redox Properties, and Electrocatalytic Activity in Organic Compound Dehalogenation in Heterogeneous Medium.","Inorganic chemistry","2014","53","10","4970","4979","10.1021/ic403167m","","","0.71069","MoKα","","0.0963","0.0443","","","0.1048","0.1391","","","","","","1.069","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338320","16.0332","0.0008","15.8365","0.0008","17.3741","0.0009","90","","100.921","0.0016","90","","4331.6","0.4","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C42 H68 Al B Fe2 N6 -","- C42 H68 Al B Fe2 N6 -","- C168 H272 Al4 B4 Fe8 N24 -","4","1","","Oishi, Masataka; Endo, Togo; Oshima, Masato; Suzuki, Hiroharu","Aluminum-Stabilized Low-Spin Iron(II) Hydrido Complexes of 1,4,7-Trimethyl-1,4,7-triazacyclononane.","Inorganic chemistry","2014","53","10","5100","5108","10.1021/ic500195q","","","0.71069","MoKα","","0.1019","0.0509","","","0.0959","0.1206","","","","","","1.058","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338630","15.061","0.0003","14.672","0.0003","15.674","0.0003","90","","108.136","0.001","90","","3291.49","0.11","200","2","200","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H50 Al N P2 -","- C33 H49 Al N P2 -","- C132 H196 Al4 N4 P8 -","4","1","","Lee, Pei-Ying; Liang, Lan-Chang","Synthesis and Structural Characterization of Five-Coordinate Aluminum Complexes Containing Diarylamido Diphosphine Ligands","Inorganic chemistry","2009","48","12","5480","5487","10.1021/ic802030d","","","0.71073","MoKα","","0.0883","0.0582","","","0.1447","0.1627","","","","","","1.055","","","","has coordinates","210021","2020-10-21","18:00:00",""
"4339008","16.9178","0.0008","21.2629","0.0008","25.8518","0.0009","90","","98.706","0.004","90","","9192.3","0.6","100","1","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C105.5 H108 Fe2 Mo N2 O4 P4 -","- C106 H104 Fe2 Mo N2 O4 P4 -","- C424 H416 Fe8 Mo4 N8 O16 P16 -","4","1","","Paul, Frédéric; Goeb, Sébastien; Justaud, Frédéric; Argouarch, Gilles; Toupet, Loic; Ziessel, Raymond F.; Lapinte, Claude","New polypyridine ligands functionalized with redox-active Fe(II) organometallic fragments.","Inorganic chemistry","2007","46","22","9036","9038","10.1021/ic7014379","","","0.71073","MoKα","","0.1932","0.0563","","","0.1119","0.1324","","","","","","0.737","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339040","17.443","0.003","10.229","0.002","19.207","0.004","90","","110.09","0.008","90","","3218.5","1.1","133.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H41 Cl Co N3 O7 -","- C32 H41 Cl Co N3 O7 -","- C128 H164 Cl4 Co4 N12 O28 -","4","1","","Shimazaki, Yuichi; Kabe, Ryota; Huth, Stefan; Tani, Fumito; Naruta, Yoshinori; Yamauchi, Osamu","Formation and characterization of Co(III)-semiquinonate phenoxyl radical species.","Inorganic chemistry","2007","46","15","6083","6090","10.1021/ic700596g","","","0.7107","MoKα","","","0.0648","","","","0.1747","","","","","","0.808","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339041","11.382","0.001","11.971","0.002","21.791","0.003","90","","104.223","0.005","90","","2878.1","0.7","133.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H37 Cl Co N4 O -","- C29 H37 Cl Co N4 O -","- C116 H148 Cl4 Co4 N16 O4 -","4","1","","Shimazaki, Yuichi; Kabe, Ryota; Huth, Stefan; Tani, Fumito; Naruta, Yoshinori; Yamauchi, Osamu","Formation and characterization of Co(III)-semiquinonate phenoxyl radical species.","Inorganic chemistry","2007","46","15","6083","6090","10.1021/ic700596g","","","0.7107","MoKα","","","0.0325","","","","0.0764","","","","","","0.842","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339114","15.548","0.0005","20.52","0.0008","21.476","0.0007","90","","98.127","0.003","90","","6783","0.4","180","2","180","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C56.5 H34 Cr2 Fe N14 O24 -","- C56.5 H34 Cr2 Fe N14 O24 -","- C226 H136 Cr8 Fe4 N56 O96 -","4","1","","Clemente-León, Miguel; Coronado, Eugenio; Giménez-López, M Carmen; Romero, Francisco M.","Structural, thermal, and magnetic study of solvation processes in spin-crossover [Fe(bpp)(2)][Cr(L)(ox)(2)](2).nH(2)O complexes.","Inorganic chemistry","2007","46","26","11266","11276","10.1021/ic700910n","","","0.71073","MoKα","","0.1333","0.0815","","","0.241","0.2994","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339339","9.3754","0.0007","17.3669","0.0011","11.149","0.0007","90","","116.819","0.007","90","","1620","0.2","140","1","140","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Compound H2L1","","","- C38 H44 N2 O2 S2 -","- C38 H44 N2 O2 S2 -","- C76 H88 N4 O4 S4 -","2","0.5","","Homden, Damien M.; Redshaw, Carl; Hughes, David L.","Vanadium complexes possessing N2O2S2-based ligands: highly active procatalysts for the homopolymerization of ethylene and copolymerization of ethylene/1-hexene.","Inorganic chemistry","2007","46","25","10827","10839","10.1021/ic701461b","","","0.71073","Mo-Kα","","0.0564","0.0493","","","0.1196","0.1251","","","","","","1.124","","","","has coordinates","179496","2020-10-21","18:00:00",""
"4339549","14.428","0.009","13.924","0.009","19.35","0.01","90","","100.15","0.03","90","","3826","4","296.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C22 H12 Br4 Fe O2 S8 Se8 -","- C22 H12 Br4 Fe O2 S8 Se8 -","- C88 H48 Br16 Fe4 O8 S32 Se32 -","4","1","","Hayashi, Toshiki; Xiao, Xunwen; Fujiwara, Hideki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Katori, Hiroko Aruga","Weak ferromagnetism in a semiconducting (ethylenedithiodiselena- dithiafulvalenoquinone-1,3-diselenolemethide)2.FeBr4 salt.","Inorganic chemistry","2007","46","21","8478","8480","10.1021/ic701260p","","","0.7107","MoKα","","","0.038","","","","0.053","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339550","14.4459","0.0005","13.9377","0.0004","19.3784","0.0006","90","","100.107","0.0009","90","","3841.2","0.2","296.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C22 H12 Br4 Ga O2 S8 Se8 -","- C22 H12 Br4 Ga O2 S8 Se8 -","- C88 H48 Br16 Ga4 O8 S32 Se32 -","4","1","","Hayashi, Toshiki; Xiao, Xunwen; Fujiwara, Hideki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Katori, Hiroko Aruga","Weak ferromagnetism in a semiconducting (ethylenedithiodiselena- dithiafulvalenoquinone-1,3-diselenolemethide)2.FeBr4 salt.","Inorganic chemistry","2007","46","21","8478","8480","10.1021/ic701260p","","","0.7107","MoKα","","","0.037","","","","0.046","","","","","","0.937","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339692","9.311","0.005","22.628","0.005","12.208","0.005","90","0.005","99.111","0.005","90","0.005","2539.6","1.8","296","2","296","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","6,6-Dichloro-bis{3-propyl-3,4-dihydro-spiro[1,3,2-benzoxazaphosphorine} [2(lambda)**5,4(lambda)**5,6(lambda)**5][1,3,5,2,4,6]triazatriphosphorine","","- C20 H26 Cl2 N5 O2 P3 -","- C20 H26 Cl2 N5 O2 P3 -","- C80 H104 Cl8 N20 O8 P12 -","4","1","","Ilter, Elif Ece; Asmafiliz, Nuran; Kiliç, Zeynel; Isiklan, Muhammet; Hökelek, Tuncer; Caylak, Nagihan; Sahin, Ertan","Phosphorus-nitrogen compounds. 14. Synthesis, stereogenism, and structural investigations of novel n/o spirocyclic phosphazene derivatives.","Inorganic chemistry","2007","46","23","9931","9944","10.1021/ic701216f","","","0.71073","MoKα","","0.1307","0.0773","","","0.1991","0.233","","","","","","1.033","","","","has coordinates","179499","2020-10-21","18:00:00",""
"4340167","17.0927","0.0005","15.01","0.0005","20.8189","0.0005","90","","93.2538","0.0004","90","","5332.7","0.3","153.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C46 H79 Cu2 N7 O14 -","- C46 H71 Cu2 N7 O14 -","- C184 H284 Cu8 N28 O56 -","4","1","","Kato, Merii; Tanase, Tomoaki; Mikuriya, Masahiro","Dinuclear copper(II) complexes with {Cu2(mu-hydroxo)bis(mu-carboxylato)}+ cores and their reactions with sugar phosphate esters: A substrate binding model of fructose-1,6-bisphosphatase.","Inorganic chemistry","2006","45","7","2925","2941","10.1021/ic051942d","","","0.7107","MoKα","","","0.0514","","","","0.1342","","","","","","2.567","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340417","11.066","0.005","8.394","0.003","17.927","0.008","90","","97.56","0.02","90","","1650.7","1.2","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H15 N2 O5 Re S -","- C14 H15 N2 O5 Re S -","- C56 H60 N8 O20 Re4 S4 -","4","1","","Karagiorgou, O.; Patsis, G.; Pelecanou, M.; Raptopoulou, C. P.; Terzis, A.; Siatra-Papastaikoudi, T; Alberto, R.; Pirmettis, I.; Papadopoulos, M.","(S)-(2-(2'-Pyridyl)ethyl)cysteamine and (S)-(2-(2'-pyridyl)ethyl)-d,l-homocysteine as ligands for the ""fac-[M(CO)(3)](+)"" (M = Re, (99m)Tc) core.","Inorganic chemistry","2005","44","12","4118","4120","10.1021/ic050254r","","","0.71073","MoKα","","0.027","0.0247","","","0.0656","0.0671","","","","","","1.096","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340584","5.6672","0.0002","21.7434","0.0007","7.372","0.0002","90","","110.885","0.002","90","","848.72","0.05","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","[Ni(Et-thiazdt)2]0","","","- C10 H10 N2 Ni S8 -","- C10 H10 N2 Ni S8 -","- C20 H20 N4 Ni2 S16 -","2","0.5","","Filatre-Furcate, Agathe; Bellec, Nathalie; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc; Vacher, Antoine; Lorcy, Dominique","Radical or not radical: compared structures of metal (m = ni, au) bis-dithiolene complexes with a thiazole backbone.","Inorganic chemistry","2014","53","16","8681","8690","10.1021/ic501293z","","","0.71073","MoKα","","0.0442","0.0306","","","0.0618","0.0644","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340715","14.2789","0.0009","4.1546","0.0003","14.3699","0.0008","90","","93.286","0.003","90","","851.07","0.09","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Au N2 O2 S8 -","- C10 H10 Au N2 O2 S8 -","- C20 H20 Au2 N4 O4 S16 -","2","0.5","","Le Gal, Yann; Roisnel, Thierry; Auban-Senzier, Pascale; Guizouarn, Thierry; Lorcy, Dominique","Hydrogen-bonding interactions in a single-component molecular conductor: a hydroxyethyl-substituted radical gold dithiolene complex.","Inorganic chemistry","2014","53","16","8755","8761","10.1021/ic501437g","","x-ray","0.71073","MoKα","","0.035","0.0255","","","0.0556","0.0599","","","","","","1.09","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4341275","13.287","0.004","17.777","0.005","16.497","0.005","90","","99.787","0.0011","90","","3840","2","113.1","","113.1","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C39 H27 F12 N7 P2 Ru -","- C39 H27 F12 N7 P2 Ru -","- C156 H108 F48 N28 P8 Ru4 -","4","1","","Hirakawa, Shota; Koizumi, Take-Aki","Synthesis and dynamic behavior of an anthyridine-ligated ruthenium complex.","Inorganic chemistry","2014","53","20","10788","10790","10.1021/ic5011743","","","0.7107","MoKα","","","0.0414","","","","0.0434","","","","","","0.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341952","10.5666","0.0018","19.798","0.002","16.86","0.003","90","","100.173","0.014","90","","3471.6","0.9","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C31 H31 Co N6 O3 S2 -","- C31 H25 Co N6 O3 S2 -","- C124 H100 Co4 N24 O12 S8 -","4","1","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Shova, Sergiu; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Andruh, Marius","Two-Dimensional Coordination Polymers Constructed Using, Simultaneously, Linear and Angular Spacers and Cobalt(II) Nodes. New Examples of Networks of Single-Ion Magnets.","Inorganic chemistry","2015","54","1","16","18","10.1021/ic5025197","","","0.71073","MoKα","","0.2445","0.0658","","","0.072","0.1104","","","","","","0.713","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4342245","16.769","0.008","15.677","0.007","16.921","0.008","90","","106.233","0.008","90","","4271","3","103","","103","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C40 H32 B F16 O10 Ru2 -","- C40 H32 B F16 O10 Ru2 -","- C160 H128 B4 F64 O40 Ru8 -","4","1","","Kosaka, Wataru; Morita, Takaumi; Yokoyama, Taiga; Zhang, Jun; Miyasaka, Hitoshi","Fully Electron-Transferred Donor/Acceptor Layered Frameworks with TCNQ(2-).","Inorganic chemistry","2015","54","4","1518","1527","10.1021/ic502513p","","","0.7107","MoKα","","0.059","0.0481","","","0.1204","0.1314","","","","","","1.084","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4343585","9.281","","12.4999","","6.2","","90","","106.36","","90","","690.149","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","(N D4)2 (Cu0.995 Zn0.005 (D2 O)6) (S O4)2","","- Cu0.995 D20 N2 O14 S2 Zn0.005 -","- Cu0.995 D20 N2 O14 S2 Zn0.005 -","- Cu1.99 D40 N4 O28 S4 Zn0.01 -","2","0.5","","Simmons, C.; Hitchman, M.A.; Astley, T.; Stratemeier, H.","Effect of Zn substitution on the crystal structure of (N D4)2 (Cu (Zn) (D2 O)6) (S O4)2","Inorganic Chemistry","2000","39","","4651","4653","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343586","9.208","","12.4027","","6.274","","90","","106.22","","90","","687.996","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","(N D4)2 (Cu0.966 Zn0.034 (D2 O)6) (S O4)2","","- Cu0.966 D20 N2 O14 S2 Zn0.034 -","- Cu0.966 D20 N2 O14 S2 Zn0.034 -","- Cu1.932 D40 N4 O28 S4 Zn0.068 -","2","0.5","","Simmons, C.; Hitchman, M.A.; Stratemeier, H.; Astley, T.","Effect of Zn substitution on the crystal structure of (N D4)2 (Cu (Zn) (D2 O)6) (S O4)2","Inorganic Chemistry","2000","39","","4651","4653","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343587","9.236","","12.5122","","6.246","","90","","106.86","","90","","690.779","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N H4)2 (Zn (H2 O)6) (S O4)2","","- H20 N2 O14 S2 Zn -","- H20 N2 O14 S2 Zn -","- H40 N4 O28 S4 Zn2 -","2","0.5","","Simmons, C.J.; Stratemeier, H.; Hitchman, M.A.","Influence of deuteration on the crystal structure of (N H4)2 (Zn (H2 O)6) (S O4)2","Inorganic Chemistry","2000","39","","6124","6126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343588","9.1434","","12.3689","","6.2828","","90","","106.918","","90","","679.795","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N D4)2 (Zn (D2 O)6) (S O4)2","","- D20 N2 O14 S2 Zn -","- D20 N2 O14 S2 Zn -","- D40 N4 O28 S4 Zn2 -","2","0.5","","Simmons, C.J.; Hitchman, M.A.; Stratemeier, H.","Influence of deuteration on the crystal structure of (N H4)2 (Zn (H2 O)6) (S O4)2","Inorganic Chemistry","2000","39","","6124","6126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343631","14.19","","14.5","","5.27","","90","","90.6","","90","","1084.27","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Br F4 Sb2 F11","","- Br F15 Sb2 -","- Br F15 Sb2 -","- Br4 F60 Sb8 -","4","1","","Lind, M.D.; Christe, K.O.","The crystal structure of (Br F4)(+) (Sb2 F11(-))","Inorganic Chemistry","1972","11","","608","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343680","12.3376","","9.9173","","5.5173","","90","","100.42","","90","","663.94","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","Rh F5","","- F5 Rh -","- F5 Rh -","- F40 Rh8 -","8","2","","Morrell, B.K.; Tressaud, A.; Zalkin, A.; Bartlett, N.","Crystal structure of rhodium pentafluoride","Inorganic Chemistry","1973","12","","2640","2644","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343906","9.1617","","12.2559","","6.3327","","90","","103","","90","","692.842","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","K2 (Cu (H2 O)6) (Se O4)2","","- Cu H12 K2 O14 Se2 -","- Cu H12 K2 O14 Se2 -","- Cu2 H24 K4 O28 Se4 -","2","0.5","","Simmons, C.J.; Stratemeier, H.; Riley, M.J.; Hitchman, M.A.","Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio","Inorganic Chemistry","2006","45","","1021","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343907","9.0462","","12.0492","","6.1368","","90","","104.354","","90","","648.025","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","K2 (Cu (H2 O)6) (S O4)2","","- Cu H12 K2 O14 S2 -","- Cu H12 K2 O14 S2 -","- Cu2 H24 K4 O28 S4 -","2","0.5","","Simmons, C.J.; Stratemeier, H.; Riley, M.J.; Hitchman, M.A.","Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio","Inorganic Chemistry","2006","45","","1021","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343908","9.1345","","12.2223","","6.3088","","90","","103","","90","","686.291","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","K2 (Cu (H2 O)6) (S O4)0.318 (Se O4)1.682","","- Cu H12 K2 O14 S0.318 Se1.682 -","- Cu H12 K2 O14 S0.318 Se1.682 -","- Cu2 H24 K4 O28 S0.636 Se3.364 -","2","0.5","","Simmons, C.J.; Stratemeier, H.; Hitchman, M.A.; Riley, M.J.","Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio","Inorganic Chemistry","2006","45","","1021","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343909","9.1631","","12.2525","","6.324","","90","","103","","90","","691.804","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","K2 (Cu (H2 O)6) (S O4)0.356 (Se O4)1.644","","- Cu H12 K2 O14 S0.356 Se1.644 -","- Cu H12 K2 O14 S0.356 Se1.6438 -","- Cu2 H24 K4 O28 S0.712 Se3.2876 -","2","0.5","","Simmons, C.J.; Riley, M.J.; Stratemeier, H.; Hitchman, M.A.","Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio","Inorganic Chemistry","2006","45","","1021","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343910","9.089","","12.1716","","6.2848","","90","","103","","90","","677.453","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","K2 (Cu (H2 O)6) (S O4)0.5 (Se O4)1.5","","- Cu H12 K2 O14 S0.5 Se1.5 -","- Cu H12 K2 O14 S0.512 Se1.4876 -","- Cu2 H24 K4 O28 S1.024 Se2.9752 -","2","0.5","","Simmons, C.J.; Stratemeier, H.; Hitchman, M.A.; Riley, M.J.","Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio","Inorganic Chemistry","2006","45","","1021","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343911","9.1062","","12.1418","","6.1901","","90","","104","","90","","664.083","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","K2 (Cu (H2 O)6) (S O4)1.37 (Se O4)0.63","","- Cu H12 K2 O14 S1.37 Se0.63 -","- Cu H12 K2 O14 S1.3704 Se0.63 -","- Cu2 H24 K4 O28 S2.7408 Se1.26 -","2","0.5","","Simmons, C.J.; Stratemeier, H.; Hitchman, M.A.; Riley, M.J.","Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio","Inorganic Chemistry","2006","45","","1021","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343912","9.1109","","12.155","","6.2025","","90","","104","","90","","666.48","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","K2 (Cu (H2 O)6) (S O4)1.359 (Se O4)0.64","","- Cu H12 K2 O13.996 S1.359 Se0.64 -","- Cu H12 K2 O14 S1.3592 Se0.64 -","- Cu2 H24 K4 O28 S2.7184 Se1.28 -","2","0.5","","Simmons, C.J.; Stratemeier, H.; Hitchman, M.A.; Riley, M.J.","Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio","Inorganic Chemistry","2006","45","","1021","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343913","9.1072","","12.168","","6.2186","","90","","104","","90","","668.653","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","K2 (Cu (H2 O)6) (S O4)1.366 (Se O4)0.634","","- Cu H12 K2 O14 S1.366 Se0.634 -","- Cu H12 K2 O14 S1.3664 Se0.634 -","- Cu2 H24 K4 O28 S2.7328 Se1.268 -","2","0.5","","Simmons, C.J.; Stratemeier, H.; Hitchman, M.A.; Riley, M.J.","Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio","Inorganic Chemistry","2006","45","","1021","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343914","9.0911","","12.114","","6.1717","","90","","104","","90","","659.497","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","K2 (Cu (H2 O)6) (S O4)1.571 (Se O4)0.428","","- Cu H12 K2 O13.996 S1.571 Se0.428 -","- Cu H12 K2 O14 S1.5714 Se0.428 -","- Cu2 H24 K4 O28 S3.1428 Se0.856 -","2","0.5","","Simmons, C.J.; Stratemeier, H.; Hitchman, M.A.; Riley, M.J.","Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio","Inorganic Chemistry","2006","45","","1021","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343915","9.1135","","12.1688","","6.2069","","90","","104.279","","90","","667.082","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","K2 (Cu (H2 O)6) (S O4)1.557 (Se O4)0.444","","- Cu H12 K2 O14.004 S1.557 Se0.444 -","- Cu H12 K2 O14 S1.5568 Se0.444 -","- Cu2 H24 K4 O28 S3.1136 Se0.888 -","2","0.5","","Simmons, C.J.; Stratemeier, H.; Hitchman, M.A.; Riley, M.J.","Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio","Inorganic Chemistry","2006","45","","1021","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343916","9.0743","","12.0836","","6.1619","","90","","104","","90","","655.584","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","K2 (Cu (H2 O)6) (S O4)1.554 (Se O4)0.446","","- Cu H12 K2 O14 S1.554 Se0.446 -","- Cu H12 K2 O14 S1.5544 Se0.446 -","- Cu2 H24 K4 O28 S3.1088 Se0.892 -","2","0.5","","Simmons, C.J.; Stratemeier, H.; Hitchman, M.A.; Riley, M.J.","Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio","Inorganic Chemistry","2006","45","","1021","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344236","6.8521","","6.9797","","5.5516","","90","","113.212","","90","","244.016","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Hg (N C N)","","- C Hg N2 -","- C Hg N2 -","- C4 Hg4 N8 -","4","1","","Liu, X.-H.; Mueller, P.; Kroll, P.; Dronskowski, R.","Synthesis, structure determination and quantum-chemical characterization of an alternate Hg N C N polymorph","Inorganic Chemistry","2002","41","","4259","4265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344434","17.3407","0.0006","17.1055","0.0006","17.4603","0.0006","90","","94.532","0.003","90","","5162.9","0.3","100","2","100","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C21 H36 B Br F2 N2 P2 Pt -","- C21 H36 B Br F2 N2 P2 Pt -","- C168 H288 B8 Br8 F16 N16 P16 Pt8 -","8","2","","Geist, Fabian; Jackel, Andrej; Winter, Rainer F.","Ligand Based Dual Fluorescence and Phosphorescence Emission from BODIPY Platinum Complexes and Its Application to Ratiometric Singlet Oxygen Detection.","Inorganic chemistry","2015","54","22","10946","10957","10.1021/acs.inorgchem.5b01969","","","0.71073","MoKα","","0.0713","0.0595","","","0.1366","0.1408","","","","","","1.291","","","","has coordinates","170787","2020-10-21","18:00:00",""
"4344659","16.8727","0.0006","14.6233","0.0003","17.8452","0.0006","90","","111.992","0.001","90","","4082.6","0.2","123","2","123.15","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C36 H41 Cl Cs N5 O10 U -","- C36 H41 Cl Cs N5 O10 U -","- C144 H164 Cl4 Cs4 N20 O40 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0576","0.0352","","","0.0675","0.0755","","","","","","1.026","","","","has coordinates","175550","2020-10-21","18:00:00",""
"4344688","10.052","0.005","17.616","0.005","10.466","0.005","90","","95.319","0.005","90","","1845.3","1.4","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C19 H20 Ag Br N2 -","- C19 H20 Ag Br N2 -","- C76 H80 Ag4 Br4 N8 -","4","1","","Ortiz, Alba M.; Sánchez-Méndez, Alberto; de Jesús, Ernesto; Flores, Juan C.; Gómez-Sal, Pilar; Mendicuti, Francisco","Poly(benzyl ether) Dendrimers Functionalized at the Core with Palladium Bis(N-Heterocyclic Carbene) Complexes as Catalysts for the Heck Coupling Reaction.","Inorganic chemistry","2016","55","3","1304","1314","10.1021/acs.inorgchem.5b02629","","x-ray","0.71069","MoKα","","0.0907","0.0435","","","0.0878","0.0991","","","","","","0.987","","","","has coordinates","276346","2022-06-28","16:25:27",""
"4345293","8.281","0.002","16.134","0.004","14.081","0.004","90","","105.988","0.005","90","","1808.5","0.8","296.15","","296.15","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","methylene blue gold dichloride","MBAu","","- C16 H18 Au Cl2 N3 S -","- C16 H18 Au Cl2 N3 S -","- C64 H72 Au4 Cl8 N12 S4 -","4","1","","Canossa, Stefano; Bacchi, Alessia; Graiff, Claudia; Pelagatti, Paolo; Predieri, Giovanni; Ienco, Andrea; Manca, Gabriele; Mealli, Carlo","Hierarchy of Supramolecular Arrangements and Building Blocks: Inverted Paradigm of Crystal Engineering in the Unprecedented Metal Coordination of Methylene Blue.","Inorganic chemistry","2017","56","6","3512","3516","10.1021/acs.inorgchem.6b02980","","x-ray","0.71073","MoKα","","0.1422","0.1087","","","0.3515","0.3717","","","","","","1.172","","","","has coordinates","194824","2020-10-21","18:00:00",""
"4346259","18.8413","0.0005","17.2727","0.0006","19.2668","0.0006","90","","104.174","0.003","90","","6079.3","0.3","120.05","0.1","120.05","0.1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C120 H80 Mn8 N8 O24 S8 -","- C120 H80 Mn8 N8 O24 S8 -","- C240 H160 Mn16 N16 O48 S16 -","2","0.5","","Ashok Kumar, Chowan; Nagarajaprakash, R.; Ramakrishna, Buthanapalli; Manimaran, Bala","Self-assembly of Thiolato-Bridged Manganese(I)-Based Metallarectangles: One-pot Synthesis and Structural Characterization.","Inorganic chemistry","2015","54","17","8406","8414","10.1021/acs.inorgchem.5b01118","","","0.71073","MoKα","","0.1234","0.0628","","","0.131","0.1679","","","","","","1.021","","","","has coordinates,has disorder","231694","2020-10-21","18:00:00",""
"4346262","6.8017","0.0009","12.8053","0.0017","18.244","0.003","90","","98.674","0.004","90","","1570.8","0.4","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C15 H14 Cl N5 O Pd -","- C15 H14 Cl N5 O Pd -","- C60 H56 Cl4 N20 O4 Pd4 -","4","1","","Kitamura, Fumi; Sawaguchi, Kana; Mori, Asami; Takagi, Shoji; Suzuki, Takayoshi; Kobayashi, Atsushi; Kato, Masako; Nakajima, Kiyohiko","Coordination Structure Conversion of Hydrazone-Palladium(II) Complexes in the Solid State and in Solution.","Inorganic chemistry","2015","54","17","8436","8448","10.1021/acs.inorgchem.5b01128","","","0.71075","MoKα","","0.2313","0.095","","","0.191","0.2464","","","","","","1.036","","","","has coordinates","231697","2020-10-21","18:00:00",""
"4346399","14.7574","0.0005","18.9788","0.0007","18.1041","0.0006","90","","103.344","0.0009","90","","4933.7","0.3","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C50 H78 Cl F2 N3 P2 -","- C50 H78 Cl F2 N3 P2 -","- C200 H312 Cl4 F8 N12 P8 -","4","1","","Ueta, Yasuhiro; Mikami, Koichi; Ito, Shigekazu","Chemical Detection of Hydrogen Fluoride by the Phosphorus Congener of Cyclobutane-1,3-diyl.","Inorganic chemistry","2015","54","17","8778","8785","10.1021/acs.inorgchem.5b01399","","","0.71075","MoKα","","0.0601","0.0483","","","0.1542","0.164","","","","","","1.237","","","","has coordinates,has disorder","231755","2020-10-21","18:00:00",""
"4346492","13.8305","0.0002","13.83565","0.00019","17.9254","0.0003","90","","96.7387","0.0014","90","","3406.4","0.09","123","0.1","123","0.1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C30.5 H36 N6 O12.5 -","- C30.5 H36 N6 O12.5 -","- C122 H144 N24 O50 -","4","1","","Mäkelä, Toni; Kalenius, Elina; Rissanen, Kari","Cooperatively enhanced ion pair binding with a hybrid receptor.","Inorganic chemistry","2015","54","18","9154","9165","10.1021/acs.inorgchem.5b01577","","","1.54184","CuKα","","0.1243","0.1195","","","0.3215","0.3246","","","","","","1.164","","","","has coordinates,has disorder","231806","2020-10-21","18:00:00",""
"4346536","16.787","0.0002","13.55","0.0002","16.965","0.0003","90","","111.802","0.001","90","","3582.91","0.1","100","2","100","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C37 H35 Cl F6 N P3 Pt -","- C37 H35 Cl F6 N P3 Pt -","- C148 H140 Cl4 F24 N4 P12 Pt4 -","4","1","","Villarreal, Wilmer; Colina-Vegas, Legna; Rodrigues de Oliveira, Clayton; Tenorio, Juan C.; Ellena, Javier; Gozzo, Fábio C; Cominetti, Marcia Regina; Ferreira, Antonio G.; Ferreira, Marco Antonio Barbosa; Navarro, Maribel; Batista, Alzir A.","Chiral Platinum(II) Complexes Featuring Phosphine and Chloroquine Ligands as Cytotoxic and Monofunctional DNA-Binding Agents.","Inorganic chemistry","2015","54","24","11709","11720","10.1021/acs.inorgchem.5b01647","","x-ray","0.71073","MoKα","","0.0623","0.049","","","0.1345","0.1426","","","","","","1.099","","","","has coordinates,has disorder","231827","2020-10-21","18:00:00",""
"4346913","19.2687","0.0002","29.5016","0.0003","19.311","0.0002","90","","110.777","0.0009","90","","10263.6","0.19","123","2","123","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C124 Cl12 Cu4 Fe N7 O72 Si2 W18 -","- C124 Cl12 Cu4 Fe N7 O72 Si2 W18 -","- C248 Cl24 Cu8 Fe2 N14 O144 Si4 W36 -","2","0.5","","Sato, Rinta; Suzuki, Kosuke; Minato, Takuo; Yamaguchi, Kazuya; Mizuno, Noritaka","Sequential Synthesis of 3d-3d'-4f Heterometallic Heptanuclear Clusters in between Lacunary Polyoxometalates.","Inorganic chemistry","2016","55","5","2023","2029","10.1021/acs.inorgchem.5b02358","","","0.71069","MoKα","","0.1103","0.0909","","","0.2265","0.2404","","","","","","1.138","","","","has coordinates","232061","2020-10-21","18:00:00",""
"4348386","11.307","0.0002","7.325","0.0001","12.623","0.0003","90","","102.883","0.001","90","","1019.17","0.03","150","2","150","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H34 Co2 -","- C26 H34 Co2 -","- C52 H68 Co4 -","2","0.5","","Hamilton, Jeff A.; Pugh, Thomas; Johnson, Andrew L.; Kingsley, Andrew J.; Richards, Stephen P.","Cobalt(I) Olefin Complexes: Precursors for Metal-Organic Chemical Vapor Deposition of High Purity Cobalt Metal Thin Films.","Inorganic chemistry","2016","55","14","7141","7151","10.1021/acs.inorgchem.6b01146","","","0.71073","MoKα","","0.0345","0.0265","","","0.0607","0.0641","","","","","","1.067","","","","has coordinates","232896","2020-10-21","18:00:00",""
"4348645","17.444","0.002","23.888","0.003","20.171","0.003","90","","94.2102","0.0015","90","","8382.6","1.9","173","2","173.15","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C48 H70 Co2 N24 Na2 O130 P4 W32 -","- C48 H70 Co2 N24 Na2 O130 P4 W32 -","- C96 H140 Co4 N48 Na4 O260 P8 W64 -","2","0.5","","Guo, Ling-Yu; Zeng, Su-Yuan; Jagličić, Zvonko; Hu, Qi-Dong; Wang, Shi-Xuan; Wang, Zhi; Sun, Di","A Pyridazine-Bridged Sandwiched Cluster Incorporating Planar Hexanuclear Cobalt Ring and Bivacant Phosphotungstate.","Inorganic chemistry","2016","55","17","9006","9011","10.1021/acs.inorgchem.6b01468","","","0.71073","MoKα","","0.105","0.0509","","","0.1069","0.1227","","","","","","0.877","","","","has coordinates","233219","2020-10-21","18:00:00",""
"4348932","13.2244","0.0003","12.1843","0.0004","15.3079","0.0004","90","","107.908","0.002","90","","2347.06","0.12","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H16 N2 O5 S6 -","- C20 H16 N2 O5 S6 -","- C80 H64 N8 O20 S24 -","4","1","","Soussi, K.; Jung, J.; Pointillart, F.; Le Guennic, B.; Lefeuvre, B.; Golhen, S.; Cador, O.; Guyot, Y.; Maury, O.; Ouahab, L.","Magnetic and photo-physical investigations into DyIII and YbIII complexes involving tetrathiafulvalene ligand","Inorganic Chemistry Frontiers","2015","2","12","1105","","10.1039/C5QI00087D","","","0.71073","MoKα","","0.0798","0.0509","","","0.1327","0.1519","","","","","","1.025","","","","has coordinates","233496","2020-10-21","18:00:00",""
"4350223","12.0861","0.0008","4.6576","0.0003","27.9405","0.0018","90","","102.513","0.001","90","","1535.47","0.17","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H14 N4 S2 -","- C16 H14 N4 S2 -","- C64 H56 N16 S8 -","4","1","","Peng, Rong; Li, Dan; Wu, Tao; Zhou, Xiao-Ping; Ng, Seik Weng","Increasing structure dimensionality of copper(I) complexes by varying the flexible thioether ligand geometry and counteranions.","Inorganic chemistry","2006","45","10","4035","4046","10.1021/ic060074x","","","0.71073","MoKα","","0.0541","0.0478","","","0.1168","0.127","","","","","","1.109","","","","has coordinates","239797","2020-10-21","18:00:00",""
"4350554","7.535","0.005","21.513","0.005","10.466","0.005","90","","96.666","0.005","90","","1685.1","1.4","153","2","153","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H17 Mn N O5 -","- C17 H17 Mn N O5 -","- C68 H68 Mn4 N4 O20 -","4","1","","Moon, Hoi Ri; Kobayashi, Norihito; Suh, Myunghyun Paik","Porous metal-organic framework with coordinatively unsaturated Mn(II) sites:sorption properties for various gases.","Inorganic chemistry","2006","45","21","8672","8676","10.1021/ic0611948","","x-ray","0.71069","MoKα","","0.0834","0.0457","","","0.0996","0.1108","","","","","","0.995","","","","has coordinates","239940","2020-10-21","18:00:00",""
"4350581","15.686","0.002","15.41","0.004","17.509","0.003","90","","103.437","0.009","90","","4116.4","1.4","160.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C43 H50 Cu F3 N4 O3 S -","- C43 H50 Cu F3 N4 O3 S -","- C172 H200 Cu4 F12 N16 O12 S4 -","4","1","","Ohi, Hiromi; Tachi, Yoshimitsu; Itoh, Shinobu","Modeling the mononuclear, dinuclear, and trinuclear copper(I) reaction centers of copper proteins using pyridylalkylamine ligands connected to 1,3,5-triethylbenzene spacer.","Inorganic chemistry","2006","45","26","10825","10835","10.1021/ic061509j","","","0.71075","MoKα","","","0.0399","","","","0.0415","","","","","","1.013","","","","has coordinates","239951","2020-10-21","18:00:00",""
"4500129","7.3174","0.0002","15.2404","0.0004","12.6802","0.0004","90","","96.9655","0.001","90","","1403.66","0.07","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-hydroxy-6-methylpyridinium picrate","","- C12 H10 N4 O8 -","- C12 H10 N4 O8 -","- C48 H40 N16 O32 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0967","0.084","","","0.23","0.2433","","","","","","1.106","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500158","23.1978","0.0004","5.5469","0.0001","5.198","0.0001","90","","92.215","0.001","90","","668.36","0.02","","","298","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","beta resoryclic acid form I","2,4-hidyroxybenzoic acid form I","","- C7 H6 O4 -","- C7 H6 O4 -","- C28 H24 O16 -","4","1","","Braun, Doris E.; Karamertzanis, Panagiotis G.; Arlin, Jean-Baptiste; Florence, Alastair J.; Kahlenberg, Volker; Tocher, Derek A.; Griesser, Ulrich J.; Price, Sarah L.","Solid-State Forms of β-Resorcylic Acid: How Exhaustive Should a Polymorph Screen Be?","Crystal growth & design","2011","11","1","210","220","10.1021/cg101162a","powder diffraction","","","","","","","","","","","","","2.877","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500438","7.281","0.0005","6.6002","0.0004","14.6587","0.0009","90","","99.973","0.003","90","","693.79","0.08","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H12 F2 Mg O6 -","- C14 H12 F2 Mg O6 -","- C28 H24 F4 Mg2 O12 -","2","0.5","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.067","0.0547","","","0.1131","0.1191","","","","","","1.096","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500440","10.3942","0.0005","7.7929","0.0005","16.1632","0.001","90","","103.679","0.004","90","","1272.1","0.13","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H8 Ba F2 O4 -","- C14 H8 Ba F2 O4 -","- C56 H32 Ba4 F8 O16 -","4","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0449","0.0393","","","0.1058","0.1113","","","","","","1.06","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500442","6.5797","0.0009","34.867","0.005","7.1797","0.0011","90","","93.184","0.005","90","","1644.6","0.4","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H14 Ca Cl2 O7 -","- C14 H14 Ca Cl2 O7 -","- C56 H56 Ca4 Cl8 O28 -","4","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.1004","0.0706","","","0.175","0.2015","","","","","","1.069","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500531","10.11879","0.00025","8.5936","0.00019","6.07574","0.00016","90","","92.4396","0.0016","90","","527.85","0.02","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 Ca Li O6 P -","- C2 Ca Li O6 P -","- C8 Ca4 Li4 O24 P4 -","4","1","","Colodrero, Rosario M. P.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Papadaki, Maria; Rius, Jordi; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Demadis, Konstantinos D.; Aranda, Miguel A. G.","Common Structural Features in Calcium Hydroxyphosphonoacetates. A High-Throughput Screening","Crystal Growth & Design","2011","11","5","1713","","10.1021/cg101652e","powder diffraction","x-ray","1.5406","","","","","","","","","0.08546","","1.48","","","","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500572","27.406","0.004","14.461","0.002","25.124","0.004","90","","94.255","0.002","90","","9930","3","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","[Zn3(bpdc)3L1]","","","- C24 H14 N O4 Zn -","- C19.5789 H11.3684 N0.631579 O3.78947 Zn0.947368 -","- C372 H216 N12 O72 Zn18 -","19","4.75","","Yamada, Teppei; Iwakiri, Shoji; Hara, Takafumi; Kanaizuka, Katsuhiko; Kurmoo, Mohamedally; Kitagawa, Hiroshi","Porous Interpenetrating Metal−Organic Frameworks with Hierarchical Nodes","Crystal Growth & Design","2011","11","5","1798","","10.1021/cg1017278","","","0.71073","MoKα","","0.1476","0.0991","","","0.283","0.3097","","","","","","1.048","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500964","15.775","0.005","9.796","0.002","20.695","0.005","90","","94.896","0.011","90","","3186.4","1.4","223.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C42 H31 O4 -","- C42 H31 O4 -","- C168 H124 O16 -","4","1","","Kasugai, Kenta; Hashimoto, Suzumi; Imai, Kazunori; Sakon, Aya; Fujii, Kotaro; Uekusa, Hidehiro; Hayashi, Naoto; Kobayashi, Keiji","Supramolecular Networks in Crystalline Inclusion Complexes Formed from a New Host: 2,2-Bis(4-hydroxy-3-phenylphenyl)-1H-indene-1,3(2H)-dione","Crystal Growth & Design","2011","11","9","4044","","10.1021/cg200554f","","","0.71075","MoKα","","","0.0431","","","","0.0107","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501006","9.4","0.002","7.337","0.002","10.007","0.003","90","","105.25","0.02","90","","665.9","0.3","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C3 H7 Cl N6 -","- C3 H7 Cl N6 -","- C12 H28 Cl4 N24 -","4","1","","Naik, Anil D.; Tinant, Bernard; Léonard, Alexandre; Marchand-Brynaert, Jacqueline; Su, Bao-Lian; Garcia, Yann","(Di)-aminoguanidine Functionalization through Transamination: An Avenue to an Auspicious Class of Supramolecular Synthons","Crystal Growth & Design","2011","11","9","4034","","10.1021/cg200612j","","","0.71069","MoKα","","0.0344","0.0332","","","0.0825","0.0839","","","","","","1.045","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501036","19.039","0.003","23.6793","0.0017","26.077","0.004","90","","94.572","0.011","90","","11719","3","208","2","208","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C119 H121 Cl3 Cu3 N9 O17 P3 -","- C119 H121 Cl3 Cu3 N9 O17 P3 -","- C476 H484 Cl12 Cu12 N36 O68 P12 -","4","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.1015","0.0608","","0.1829","0.1617","0.1829","","","1.087","","","1.087","","","","has coordinates,has disorder","179541","2020-10-21","18:00:00",""
"4501040","19.044","0.002","23.6112","0.0008","26.174","0.004","90","","94.589","0.01","90","","11731","2","208","2","208","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C115 H113 B3 Cu3 F12 N9 O4 P3 -","- C115 H113 B3 Cu3 F12 N9 O4 P3 -","- C460 H452 B12 Cu12 F48 N36 O16 P12 -","4","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.1538","0.1009","","0.3106","0.282","0.3106","","","1.047","","","1.047","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501448","15.976","0.002","25.591","0.002","10.943","0.005","90","","102.3","0.02","90","","4371","2","223.2","","223.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C47 H59 Cl2 N2 O2 Ti -","- C47 H32 Cl2 N2 O2 Ti -","- C188 H128 Cl8 N8 O8 Ti4 -","4","1","","Terao, Hiroshi; Iwashita, Akihiko; Matsukawa, Naoto; Ishii, Seiichi; Mitani, Makoto; Tanaka, Hidetsugu; Nakano, Takashi; Fujita, Terunori","Ethylene and Ethylene/α-Olefin (Co)Polymerization Behavior of Bis(phenoxy−imine)Ti Catalysts: Significant Substituent Effects on Activity and Comonomer Incorporation","ACS Catalysis","2011","1","4","254","","10.1021/cs100148a","","","0.7107","MoKα","","0.0635","0.0635","","","0.1676","0.1676","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501929","11.3187","0.0004","17.4956","0.0006","7.3162","0.0002","90","","94.28","0.004","90","","1444.77","0.08","","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C4 H15 Ce N O12 P2 S -","- C8 Ce2 N2 O24 P4 S2 -","- C16 Ce4 N4 O48 P8 S4 -","2","0.5","","Costantino, Ferdinando; Ienco, Andrea; Gentili, Pier Luigi; Presciutti, Federica","Synthesis, X-ray Powder Structure, and Photophysical Properties of Three New Ce(III) Sulfate- Diaminotetraphosphonate-Based Coordination Polymers","Crystal Growth & Design","2010","10","11","4831","","10.1021/cg100720v","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.13578","","2.89","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502080","11.3516","0.0002","11.8429","0.0002","14.6615","0.0003","90","","108.21","0.001","90","","1872.32","0.06","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C36 H36 N8 O8 Rh2 -","- C36 H36 N8 O8 Rh2 -","- C72 H72 N16 O16 Rh4 -","2","0.5","","Urankar, Damijana; Pevec, Andrej; Turel, Iztok; Košmrlj, Janez","Pyridyl Conjugated 1,2,3-Triazole is a Versatile Coordination Ability Ligand Enabling Supramolecular Associations","Crystal Growth & Design","2010","10","11","4920","","10.1021/cg100993k","","","0.71073","MoKα","","0.0472","0.0297","","","0.0634","0.0699","","","","","","1.034","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502413","7.798","0.0008","8.9221","0.0008","9.3291","0.0009","90","","96.633","0.007","90","","644.72","0.11","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","trans-1,4-cyclohexanediol","","- C6 H12 O2 -","- C6 H12 O2 -","- C24 H48 O8 -","4","1","","Maria, Teresa M. R.; Castro, Ricardo A. E.; Bebiano, Suse S.; Ramos Silva, M.; Matos Beja, A.; Canotilho, João; Eusébio, M. Ermelinda S.","Polymorphism oftrans-1,4-Cyclohexanediol: Conformational Isomorphism","Crystal Growth & Design","2010","10","3","1194","","10.1021/cg901160v","","","0.71073","MoKα","","0.0934","0.0631","","","0.125","0.1402","","","","","","1.09","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502690","11.887","0.005","8.328","0.005","13.892","0.005","90","","100.635","0.005","90","","1351.6","1.1","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[4-fmbnlH]2[Cu(mal)2(H2O)2]","[4-fmbnlH]2[Cu(mal)2(H2O)2]","","- C22 H26 Cu F6 N2 O10 -","- C22 H26 Cu F6 N2 O10 -","- C44 H52 Cu2 F12 N4 O20 -","2","0.5","","Keene, Tony D.; Zimmermann, Iwan; Neels, Antonia; Sereda, Olha; Hauser, Jürg; Liu, Shi-Xia; Decurtins, Silvio","Crystal Engineering of a Series of Arylammonium Copper(II) Malonates","Crystal Growth & Design","2010","10","4","1854","","10.1021/cg9015349","","","0.71073","MoKα","","0.0426","0.0309","","","0.0743","0.0778","","","","","","1.014","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502901","16.244","0.015","16.73","0.007","8.65","0.003","90","","105.23","0.07","90","","2268","3","288","2","288","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H30 B F4 N3 -","- C22 H30 B F4 N3 -","- C88 H120 B4 F16 N12 -","4","1","","Murata, Tsuyoshi; Miyazaki, Eigo; Yokoyama, Takuji; Nakasuji, Kazuhiro; Morita, Yasushi","Intermolecular Hydrogen-Bond Networks and Physical Properties of BF4‒and TCNQ•‒Salts of Three-Fold Symmetric Tris(alkylamino)phenalenyliums","Crystal Growth & Design","2012","12","2","804","","10.1021/cg201120s","","","0.71073","MoKα","","0.0925","0.0924","","","0.2271","0.2272","","","","","","1.213","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502935","13.5935","0.0019","14.7377","0.0015","17.68","0.003","90","","98.757","0.011","90","","3500.7","0.9","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C39 H36 Cl2 N2 O3 Pt -","- C39 H36 Cl2 N2 O3 Pt -","- C156 H144 Cl8 N8 O12 Pt4 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga","Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules","Crystal Growth & Design","2012","12","1","387","","10.1021/cg201185c","","","0.71073","MoKα","","0.0864","0.0579","","","0.1355","0.1501","","","","","","1.005","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502983","31.6676","0.0022","9.851","0.0006","5.4829","0.0004","90","","98.776","0.005","90","","1690.4","0.2","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C9 H10 O2 -","- C9 H10 O2 -","- C72 H80 O16 -","8","2","","Das, Uday; Chattopadhyay, Basab; Mukherjee, Monika; Mukherjee, Alok K.","Structure Analysis of Molecular Compounds withZ′ = 2 Using Laboratory X-ray Powder Diffraction Data: 3-Phenylpropionic Acid and Its Derivatives","Crystal Growth & Design","2012","12","1","466","","10.1021/cg201290g","powder diffraction","x-ray","1.5418","","","","","","","","","0.07883","","2.07","","","","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502985","13.8863","0.0014","10.647","0.0013","13.9018","0.0017","90","","114.787","0.0033","90","","1866","0.4","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 O3 -","- C10 H12 O3 -","- C80 H96 O24 -","8","2","","Das, Uday; Chattopadhyay, Basab; Mukherjee, Monika; Mukherjee, Alok K.","Structure Analysis of Molecular Compounds withZ′ = 2 Using Laboratory X-ray Powder Diffraction Data: 3-Phenylpropionic Acid and Its Derivatives","Crystal Growth & Design","2012","12","1","466","","10.1021/cg201290g","powder diffraction","x-ray","1.5418","","","","","","","","","0.14346","","1.32","","","","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4503027","9.6637","0.0006","15.9623","0.0007","12.4881","0.0007","90","","114.047","0.002","90","","1759.17","0.17","110","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C9 H23 Br N6 S3 -","- C7.794 H20.789 Br0.799 N6 S3 -","- C31.176 H83.156 Br3.196 N24 S12 -","4","1","","Palmer, Benjamin A.; Kariuki, Benson M.; Morte-Ródenas, Anabel; Harris, Kenneth D. M.","Structural Rationalization of the Phase Transition Behavior in a Solid Organic Inclusion Compound: Bromocyclohexane/Thiourea","Crystal Growth & Design","2012","12","2","577","","10.1021/cg201656y","","","0.71073","MoKα","","0.1074","0.0799","","","0.1959","0.2123","","","","","","1.121","","","","has coordinates,has disorder","179561","2020-10-21","18:00:00",""
"4503502","6.099","0.002","15.42","0.005","7.976","0.003","90","","90.07","0.03","90","","750.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H14 N4 O10 U -","- C8 H14 N4 O10 U -","- C16 H28 N8 O20 U2 -","2","0.5","","Takao, Koichiro; Noda, Kyoko; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa","Molecular and Crystal Structures of Uranyl Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Design and Optimization of Promising Precipitant for Uranyl Ion","Crystal Growth & Design","2008","8","7","2364","","10.1021/cg7012254","","","0.71075","MoKα","","0.0372","0.0187","","","0.0362","0.0402","","","","","","1.028","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503506","10.002","0.004","11.697","0.004","10.87","0.005","90","","61.17","0.03","90","","1114.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H26 N4 O10 U -","- C14 H26 N4 O10 U -","- C28 H52 N8 O20 U2 -","2","0.5","","Takao, Koichiro; Noda, Kyoko; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa","Molecular and Crystal Structures of Uranyl Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Design and Optimization of Promising Precipitant for Uranyl Ion","Crystal Growth & Design","2008","8","7","2364","","10.1021/cg7012254","","","0.71075","MoKα","","0.0895","0.0419","","","0.08","0.091","","","","","","1.043","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503993","19.165","0.003","8.2749","0.0013","5.4329","0.0008","90","","98.82","","90","","851.4","0.2","203","2","203","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H14 F4 O4 -","- C20 H14 F4 O4 -","- C40 H28 F8 O8 -","2","0.5","","Mori, Yutaka; Matsumoto, Akikazu","Molecular Stacking and Photoreactions of Fluorine-Substituted Benzyl Muconates in the Crystals","Crystal Growth & Design","2007","7","2","377","","10.1021/cg060643b","","","0.71075","MoKα","","0.0608","0.037","","","0.0854","0.0916","","","","","","1.037","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4504004","9.626","0.012","5.409","0.007","18.84","0.02","90","","98.2","0.11","90","","971","2","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H8 F10 O4 -","- C20 H8 F10.02 O4 -","- C40 H16 F20.04 O8 -","2","0.5","","Mori, Yutaka; Matsumoto, Akikazu","Molecular Stacking and Photoreactions of Fluorine-Substituted Benzyl Muconates in the Crystals","Crystal Growth & Design","2007","7","2","377","","10.1021/cg060643b","","","0.71075","MoKα","","0.1487","0.1012","","","0.3204","0.3539","","","","","","1.137","","","","has coordinates,has disorder","179575","2020-10-21","18:00:00",""
"4504008","11.54","0.002","4.4318","0.0007","18.858","0.004","90","","102.397","0.007","90","","942","0.3","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H18 O8 -","- C22 H18 O8 -","- C44 H36 O16 -","2","0.5","","Matsumoto, Akikazu; Furukawa, Daisuke; Mori, Yutaka; Tanaka, Toshihiro; Oka, Kunio","Change in Crystal Structure and Polymerization Reactivity for the Solid-State Polymerization of Muconic Esters","Crystal Growth & Design","2007","7","6","1078","","10.1021/cg0606444","","","0.71075","MoKα","","0.0962","0.0429","","","0.0864","0.0993","","","","","","0.929","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504012","10.85","0.03","4.702","0.004","18.73","0.02","90","","105.67","0.02","90","","920","3","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H18 O8 -","- C22 H18 O8 -","- C44 H36 O16 -","2","0.5","","Matsumoto, Akikazu; Furukawa, Daisuke; Mori, Yutaka; Tanaka, Toshihiro; Oka, Kunio","Change in Crystal Structure and Polymerization Reactivity for the Solid-State Polymerization of Muconic Esters","Crystal Growth & Design","2007","7","6","1078","","10.1021/cg0606444","","","0.71075","MoKα","","0.2338","0.0926","","","0.2357","0.3188","","","","","","0.937","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504014","9.529","0.005","22.353","0.005","13.006","0.005","90","0.005","94.847","0.005","90","0.005","2760.4","1.9","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","4-methyl-7-styrylcoumarin","4-methyl-7-styrylcoumarin(polymorph2)","","- C18 H14 O2 -","- C18 H14 O2 -","- C144 H112 O16 -","8","2","","Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy","Double [2+2] Photocycloaddition: Topochemical Conversion of 4-Methyl-7-Styrylcoumarin Dimorphs into a Strained Cyclophane","Crystal Growth & Design","2007","7","4","713","","10.1021/cg060652k","","","0.71069","MoKα","","0.1783","0.0615","","","0.1509","0.2","","","","","","0.987","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504349","9.8398","0.0005","19.3105","0.0011","23.9105","0.0013","90","","100.863","0.002","90","","4461.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H21 N O -","- C16 H21 N O -","- C192 H252 N12 O12 -","12","3","","Mori, Yutaka; Chiba, Tsuyoshi; Odani, Toru; Matsumoto, Akikazu","Molecular Arrangement and Photoreaction of Sorbamides and Hexadienyl Carbamates with Various N-Substituents in the Solid State","Crystal Growth & Design","2007","7","7","1356","","10.1021/cg070366o","","","0.71069","MoKα","","0.1578","0.081","","","0.2271","0.2737","","","","","","1.002","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504350","17.898","0.003","5.0508","0.0006","20.856","0.003","90","","95.256","0.006","90","","1877.4","0.5","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H29 N O -","- C20 H29 N O -","- C80 H116 N4 O4 -","4","1","","Mori, Yutaka; Chiba, Tsuyoshi; Odani, Toru; Matsumoto, Akikazu","Molecular Arrangement and Photoreaction of Sorbamides and Hexadienyl Carbamates with Various N-Substituents in the Solid State","Crystal Growth & Design","2007","7","7","1356","","10.1021/cg070366o","","","0.71069","MoKα","","0.3099","0.0888","","","0.2162","0.3226","","","","","","0.874","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504351","17.536","0.008","5.17","0.0019","25.026","0.011","90","","107.11","0.02","90","","2168.5","1.6","203","2","203","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H37 N O -","- C24 H37 N O -","- C96 H148 N4 O4 -","4","1","","Mori, Yutaka; Chiba, Tsuyoshi; Odani, Toru; Matsumoto, Akikazu","Molecular Arrangement and Photoreaction of Sorbamides and Hexadienyl Carbamates with Various N-Substituents in the Solid State","Crystal Growth & Design","2007","7","7","1356","","10.1021/cg070366o","","","0.71075","MoKα","","0.2285","0.0586","","","0.0797","0.1062","","","","","","0.78","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504352","12.678","0.003","4.8825","0.001","18.413","0.004","90","","92.683","0.008","90","","1138.5","0.4","203","2","203","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H15 N O -","- C13 H15 N O -","- C52 H60 N4 O4 -","4","1","","Mori, Yutaka; Chiba, Tsuyoshi; Odani, Toru; Matsumoto, Akikazu","Molecular Arrangement and Photoreaction of Sorbamides and Hexadienyl Carbamates with Various N-Substituents in the Solid State","Crystal Growth & Design","2007","7","7","1356","","10.1021/cg070366o","","","0.71075","MoKα","","0.0989","0.0469","","","0.0954","0.1072","","","","","","0.914","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504868","7.9369","0.0015","5.8669","0.0009","20.412","0.003","90","","91.607","0.006","90","","950.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H8 Br N -","- C12 H8 Br N -","- C48 H32 Br4 N4 -","4","1","","Belloni, Maura; Kariuki, Benson M.; Manickam, M.; Wilkie, John; Preece, Jon A.","Design of Potentially Photorefractive Liquid Crystalline Materials: Derivatives of 3,6-Disubstituted Carbazole","Crystal Growth & Design","2005","5","4","1443","","10.1021/cg049580s","","","0.71069","MoKα","","0.0695","0.0604","","","0.1541","0.162","","","","","","1.11","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504973","11.156","0.004","5.8644","0.0011","5.3417","0.0017","90","","125.83","0.04","90","","283.3","0.2","293","","293","","","","2","","","","","4","P 1 21/a 1","-P 2yab","14","","delta glycine","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Dawson, Alice; Allan, David R.; Belmonte, Scott A.; Clark, Stewart J.; David, William I. F.; McGregor, Pamela A.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","Effect of High Pressure on the Crystal Structures of Polymorphs of Glycine","Crystal Growth & Design","2005","5","4","1415","","10.1021/cg049716m","","","0.71073","MoKα","","0.0976","0.0759","","0.1969","0.1802","0.1969","","","","","","1.0458","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505038","11.724","0.004","8.932","0.004","15.872","0.004","90","","95.93","0.02","90","","1653.2","1","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","remacemide nitrate","2-Amino-N-(1-methyl-1,12-diphenylethyl)-acetamide nitrate","","- C17 H21 N3 O4 -","- C17 H21 N3 O4 -","- C68 H84 N12 O16 -","4","1","","Lewis, Gareth R.; Steele, Gerry; McBride, Lorraine; Florence, Alastair J.; Kennedy, Alan R.; Shankland, Norman; David, William I. F.; Shankland, Kenneth; Teat, Simon J.","Hydrophobic vs. Hydrophilic: Ionic Competition in Remacemide Salt Structures","Crystal Growth & Design","2005","5","2","427","","10.1021/cg049836u","","","0.71069","MoKα","","0.1036","0.054","","","0.1386","0.1538","","","","","","1.107","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505188","31.296","0.004","4.0152","0.0017","6.083","0.002","90","","90.146","0.019","90","","764.4","0.4","294","","294","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","","Abdelmoty, Iman; Buchholz, Vera; Di, Li; Guo, Chengyun; Kowitz, Kathleen; Enkelmann, Volker; Wegner, Gerhard; Foxman, Bruce M.","Polymorphism of Cinnamic and α-Truxillic Acids: New Additions to an Old Story†","Crystal Growth & Design","2005","5","6","2210","","10.1021/cg050160s","","","0.71073","MoKα","","0.1155","0.0364","","0.1009","0.0443","0.0443","","","","","","1.1248","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4505190","8.834","0.004","12.4201","0.0018","17.0105","0.0017","90","","96.51","0.02","90","","1854.3","0.9","296","","296","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H26 N4 S2 -","- C16 H19 N4 S2 -","- C64 H76 N16 S8 -","4","1","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.138","0.078","","0.156","","0.074","","","1.58","","","1.93","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505199","18.535","0.003","9.878","0.001","25.659","0.004","90","","110.15","0.01","90","","4410.3","1.1","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19.5 H30 N4 S2 -","- C19 H26 N4 S2 -","- C152 H208 N32 S16 -","8","2","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.154","0.098","","0.188","","0.097","","","2.36","","","3","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505286","13.537","0.003","9.918","0.001","11.304","0.002","90","","109.31","0.01","90","","1432.3","0.4","297.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H17 N4 O2 -","- C14 H17 N4 O2 -","- C56 H68 N16 O8 -","4","1","","Nagashima, Hideaki; Fujita, Shin'ya; Inoue, Hidenari; Yoshioka, Naoki","Metamagnetic Behavior Observed in Purely Organic 5-Azaindol-2-yl Nitronyl Nitroxide Brick-Wall Architecture","Crystal Growth & Design","2004","4","1","19","","10.1021/cg0341205","","","0.71073","MoKα","","","0.045","","","","0.141","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505351","7.837","0.002","17.148","0.002","14.423","0.002","90","","95.67","0.02","90","","1928.8","0.6","293","","293","","","","","","","","?","6","P 1 21/a 1","-P 2yab","14","","","","- C9.02 H18 Cl2.98 Cu Hg2 N7.02 -","- C9.023 H18 Cl2.977 Cu Hg2 N7.023 -","- C36.092 H72 Cl11.908 Cu4 Hg8 N28.092 -","4","1","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","0.7093","MoKα","","","0.0353","","","","0.0329","","","","","","1.4333","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505704","9.845","0.0013","24.574","0.003","4.0392","0.0005","90","","94.412","0.01","90","","974.3","0.2","295","2","295","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H9 Cl N6 O3 -","- C6 H9 Cl N6 O3 -","- C24 H36 Cl4 N24 O12 -","4","1","","Kabir, Md. Khayrul; Tobita, Hiroshi; Matsuo, Hiroshi; Nagayoshi, Kunimitsu; Yamada, Koichi; Adachi, Keiichi; Sugiyama, Yuichi; Kitagawa, Susumu; Kawata, Satoshi","Crystal Engineering Using the Versatility of 2,5-Dichloro-3,6-dihydroxy-1,4-benzoquinone with Organic and Metal Complex Partners","Crystal Growth & Design","2003","3","5","791","","10.1021/cg0340392","","","0.71073","MoKα","","0.1005","0.0604","","","0.1571","0.1638","","","","","","1.029","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505729","14.9113","0.0001","6.034","0.0001","20.8815","0.0003","90","","110.365","0.001","90","","1761.37","0.04","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H5 N3 O6 -","- C7 H5 N3 O6 -","- C56 H40 N24 O48 -","8","2","","Vrcelj, Ranko M.; Sherwood, John N.; Kennedy, Alan R.; Gallagher, Hugh G.; Gelbrich, Thomas","Polymorphism in 2-4-6 Trinitrotoluene","Crystal Growth & Design","2003","3","6","1027","","10.1021/cg0340704","","","0.71073","MoKα","","0.0517","0.0353","","","0.0854","0.092","","","","","","1.034","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505914","8.879","0.007","8.56","0.006","10.304","0.008","90","","109.644","0.011","90","","737.6","1","180","2","180","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4,13-diaza-18-crown-6","","- C12 H26 N2 O4 -","- C12 H26 N2 O4 -","- C24 H52 N4 O8 -","2","0.5","","Cole, Jacqueline M.; Waddell, Paul G.; Jayatilaka, Dylan","Solid-State Dilution of Dihydroxybenzophenones with 4,13-Diaza-18-crown-6 for Photocrystallographic Studies","Crystal Growth & Design","2012","12","5","2277","","10.1021/cg201558h","","","0.71073","MoKα","","0.0799","0.0717","","","","0.1995","","","","","","1.11","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4506226","21.3393","0.0006","7.29604","0.00016","3.77733","0.00008","90","","94.824","0.0012","90","","586.02","0.02","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","","Williams, P. Andrew; Hughes, Colan E.; Lim, Gin Keat; Kariuki, Benson M.; Harris, Kenneth D. M.","Discovery of a New System Exhibiting Abundant Polymorphism:m-Aminobenzoic Acid","Crystal Growth & Design","2012","12","6","3104","","10.1021/cg3003178","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506227","14.787","0.0007","4.95659","0.00018","9.0814","0.0004","90","","95.2119","0.0021","90","","662.85","0.05","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H7 N O2 -","- C7 H6.9998 N O2 -","- C28 H27.9992 N4 O8 -","4","1","","Williams, P. Andrew; Hughes, Colan E.; Lim, Gin Keat; Kariuki, Benson M.; Harris, Kenneth D. M.","Discovery of a New System Exhibiting Abundant Polymorphism:m-Aminobenzoic Acid","Crystal Growth & Design","2012","12","6","3104","","10.1021/cg3003178","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506623","7.4818","0.0002","18.7663","0.0007","7.8072","0.0003","90","","114.012","0.0017","90","","1001.31","0.06","295","","295","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H7 N5 -","- C10 H7 N5 -","- C40 H28 N20 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Adducts of TCNQ with Neutral Nitrogen Bases. Their Rationalization in Terms of Intermolecular Charge-Transfer (CT) or Electron Donor‒Acceptor (EDA) Interactions","Crystal Growth & Design","2012","12","10","4758","","10.1021/cg3004382","","","0.71073","MoKα","","0.0713","0.0441","","","0.1037","0.119","","","","","","1.033","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506629","7.8021","0.0002","19.8646","0.0006","11.9355","0.0004","90","","105.793","0.0012","90","","1780","0.09","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H15 N5 O4 -","- C18 H15 N5 O4 -","- C72 H60 N20 O16 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Adducts of TCNQ with Neutral Nitrogen Bases. Their Rationalization in Terms of Intermolecular Charge-Transfer (CT) or Electron Donor‒Acceptor (EDA) Interactions","Crystal Growth & Design","2012","12","10","4758","","10.1021/cg3004382","","","0.71073","MoKα","","0.1022","0.0501","","","0.1165","0.1426","","","","","","1.01","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506898","14.2649","0.0003","12.8066","0.0002","6.6816","0.0001","90","","102.447","0.003","90","","1191.94","0.04","298","","298","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C8 H9 F3 N O5 P Zr -","- C8 F3 N O5 P Zr -","- C32 F12 N4 O20 P4 Zr4 -","4","1","","Costantino, Ferdinando; Sassi, Paola; Geppi, Marco; Taddei, Marco","Multitechnique Experimental Insight on an Unusual Crystal-to-Crystal High Temperature Solid State Reaction in Zirconium Carboxypyridinephosphonates: From One-Dimensional Chains to Two-Dimensional Hybrid Layers Through HF Elimination","Crystal Growth & Design","2012","12","11","5462","","10.1021/cg301042y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.10277","","3.37","","","","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506899","12.8478","0.0009","12.851","0.0005","6.6366","0.0006","90","","90.386","0.009","90","","1095.72","0.13","298","","298","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C8 H8 F2 N O5 P Zr -","- C8 F2 N O5 P Zr -","- C32 F8 N4 O20 P4 Zr4 -","4","1","","Costantino, Ferdinando; Sassi, Paola; Geppi, Marco; Taddei, Marco","Multitechnique Experimental Insight on an Unusual Crystal-to-Crystal High Temperature Solid State Reaction in Zirconium Carboxypyridinephosphonates: From One-Dimensional Chains to Two-Dimensional Hybrid Layers Through HF Elimination","Crystal Growth & Design","2012","12","11","5462","","10.1021/cg301042y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.14563","","4.84","","","","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506900","17.6407","0.0008","13.0625","0.0006","9.9599","0.0005","90","","97.727","0.006","90","","2274.24","0.19","298","","298","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C8 H9 F2 N O5 P Zr -","- C8 F2 N O5 P Zr -","- C64 F16 N8 O40 P8 Zr8 -","8","2","","Costantino, Ferdinando; Sassi, Paola; Geppi, Marco; Taddei, Marco","Multitechnique Experimental Insight on an Unusual Crystal-to-Crystal High Temperature Solid State Reaction in Zirconium Carboxypyridinephosphonates: From One-Dimensional Chains to Two-Dimensional Hybrid Layers Through HF Elimination","Crystal Growth & Design","2012","12","11","5462","","10.1021/cg301042y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.10925","","8.85","","","","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4507741","10.8982","0.0032","14.146","0.005","9.7303","0.0028","90","","96.009","0.026","90","","1491.8","0.8","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C7 H3 Co N O10 -","- C7 H3 Co N O10 -","- C28 H12 Co4 N4 O40 -","4","1","","Saha, Rajat; Dey, Sanjoy Kumar; Biswas, Susobhan; Jana, Atish Dipankar; Kumar, Sanjay","Transformation of a Mother Crystal to a Daughter Crystal through Amorphous Phase: De-assembly of Coordination Helices upon Heating and Re-assembly through Aquation","Crystal Growth & Design","2013","13","5","2135","","10.1021/cg400224a","powder diffraction","x-ray","1.5418","","","","","","","","","1.11552","","10.51","","","","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507903","17.5156","0.0003","8.0097","0.0001","18.5347","0.0004","90","","112.379","0.0008","90","","2404.48","0.07","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C32 H18 N6 O -","- C32 H18 N6 O -","- C128 H72 N24 O4 -","4","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0627","0.0457","","","0.1167","0.1274","","","","","","1.037","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507904","17.7643","0.0004","8.0282","0.0002","18.5926","0.0007","90","","111.596","0.001","90","","2465.45","0.13","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C32 H18 N6 O -","- C32 H18 N6 O -","- C128 H72 N24 O4 -","4","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0817","0.0474","","","0.1091","0.1311","","","","","","1.017","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507937","5.05088","0.00025","14.7935","0.0006","51.933","0.006","90","","92.465","0.015","90","","3876.9","0.5","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","β' 1,4 butanediol distearate","","","- C40 H78 O4 -","- C40 H78 O4 -","- C160 H312 O16 -","4","1","","Cabus, S.; Bogaerts, K.; Van Mechelen, J.; Smet, M.; Goderis, B.","Monotropic Polymorphism in Ester-Based Phase Change Materials from Fatty Acids and 1,4-Butanediol","Crystal Growth & Design","2013","13","8","3438","","10.1021/cg400339z","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.10927","","3.14","","","","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4508582","14.8206","0.0014","13.3595","0.0012","18.0157","0.0018","90","","101.297","0.003","90","","3497.9","0.6","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C50 H38 O10 S34 -","- C50 H38 O10 S34 -","- C100 H76 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.0754","0.0652","","","0.1946","0.211","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509312","13.2862","0.0008","7.9802","0.0004","14.7299","0.0012","90","","109.959","0.002","90","","1467.96","0.17","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H12 N2 O8 -","- C15 H12 N2 O8 -","- C60 H48 N8 O32 -","4","1","","Chadwick, Keith; Sadiq, Ghazala; Davey, Roger J.; Seaton, Colin C.; Pritchard, Robin G.; Parkin, Andrew","Designing Acid Acid Co-Crystals−The Use of Hammett Substitution Constants","Crystal Growth & Design","2009","9","3","1278","","10.1021/cg801225s","","x-ray","0.71073","MoKα","","0.2208","0.0947","","","0.1947","0.2634","","","","","","1.042","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4510510","14.6126","0.0004","7.3778","0.0002","15.9027","0.0004","90","","95.712","0.002","90","","1705.94","0.08","296","2","296","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C11 H16 Cl N3 O6 S2 -","- C11 H16 Cl N3 O6 S2 -","- C44 H64 Cl4 N12 O24 S8 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0527","0.0418","","","0.0698","0.0747","","","","","","1.068","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510645","13.458","0.002","13.046","0.001","13.826","0.002","90","","96.922","0.012","90","","2409.8","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","Poly[bis(mu-isophthalato-kO:kO':kO'':kO''')bis(9-methyladenine-kN7) dicopper(II)‒isophthalic acid (1/2)]","","- C44 H34 Cu2 N10 O16 -","- C44 H34 Cu2 N10 O16 -","- C88 H68 Cu4 N20 O32 -","2","0.5","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Structural Diversity in a Copper(II)/Isophthalato/9-Methyladenine System. From One- to Three-Dimensional Metal-Biomolecule Frameworks","Crystal Growth & Design","2013","13","7","3057","","10.1021/cg400458a","","","0.71073","MoKα","","0.204","0.105","","","0.2571","0.3001","","","","","","0.894","","","","has coordinates","194590","2020-10-21","18:00:00",""
"4510646","9.628","0.001","19.315","0.001","14.872","0.001","90","","108.705","0.003","90","","2619.6","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","Poly[aquabis(mu-isophthalato-kO:kO':k2O'',O''')(mu-9-methyladenina-kN1:kN7) dicopper(II)‒water (1/1)]","","- C22 H19 Cu2 N5 O10 -","- C22 H17 Cu2 N5 O10 -","- C88 H68 Cu8 N20 O40 -","4","1","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Structural Diversity in a Copper(II)/Isophthalato/9-Methyladenine System. From One- to Three-Dimensional Metal-Biomolecule Frameworks","Crystal Growth & Design","2013","13","7","3057","","10.1021/cg400458a","","","0.71073","MoKα","","0.0748","0.0628","","","0.1621","0.1688","","","","","","1.041","","","","has coordinates","194590","2020-10-21","18:00:00",""
"4510816","13.1592","0.0006","9.5499","0.0003","13.1773","0.0006","90","","116.414","0.006","90","","1483.1","0.13","285","14","285","14","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H17 N5 O4 -","- C14 H17 N5 O4 -","- C56 H68 N20 O16 -","4","1","","Song, Jia-Xi; Yan, Yan; Yao, Jia; Chen, Jia-Mei; Lu, Tong-Bu","Improving the Solubility of Lenalidomide via Cocrystals","Crystal Growth & Design","2014","14","6","3069","","10.1021/cg500327s","","","1.54184","CuKα","","0.0523","0.0445","","","0.1092","0.1165","","","","","","1.047","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510903","7.0757","0.0001","16.7851","0.0002","9.8164","0.0001","90","","94.27","0.01","90","","1162.62","0.03","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Cl2 N2 O2 -","- C10 H10 Cl2 N2 O2 -","- C40 H40 Cl8 N8 O8 -","4","1","","Leblanc, Nicolas; Allain, Magali; Mercier, Nicolas; Cariati, Elena","ProtonatedN,N′-Dioxide-4,4′-bipyridine, an Interesting Synthon for the Building of Polar H-Bonded Networks?","Crystal Growth & Design","2011","11","12","5200","","10.1021/cg201299n","","x-ray","0.71073","MoKα","","0.0727","0.0366","","","0.0797","0.0962","","","","","","1.074","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4511106","16.596","0.006","9.602","0.004","24.775","0.011","90","","91.26","0.03","90","","3947","3","123.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C65 H52 N2 O27 S24 -","- C65 H36 N2 O27 S24 -","- C130 H72 N4 O54 S48 -","2","0.5","","Minemawari, Hiromi; Naito, Toshio; Inabe, Tamotsu","Control of Molecular Packing in the ET Based Conductor by Supramolecular Mellitate Networks (ET = Bis(ethylenedithio)tetrathiafulvalene)","Crystal Growth & Design","2009","9","11","4830","","10.1021/cg900655v","","","0.71075","MoKα","","","0.05","","","","0.133","","","","","","0.867","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511167","9.314","0.003","22.966","0.008","11.919","0.004","90","","101.282","0.014","90","","2500.3","1.5","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H46 As4 Cl6 O20 Sn6 -","- C18 H46 As4 Cl6 O20 Sn6 -","- C36 H92 As8 Cl12 O40 Sn12 -","2","0.5","","Xie, Yun-Peng; Yang, Jin; Ma, Jian-Fang; Ma, Ji-Cheng; Zhang, Lai-Ping; Jia, Zhi-Fang; Su, Zhong-Min","Tin Alkylarsonate Clusters: C−H···X (X = Cl, O, and π) Interaction-Mediated Supramolecular Formation","Crystal Growth & Design","2009","9","9","3881","","10.1021/cg8008877","","","0.71069","MoKα","","0.0649","0.0536","","","0.1172","0.1237","","","","","","1.111","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511556","10.7108","0.0001","13.2616","0.0002","20.7926","0.0003","90","","92.5034","0.0004","90","","2950.61","0.07","123","2","123","2","","","","","","","synthesis as described","8","P 1 21/a 1","-P 2yab","14","JAAGB","","","- C21 H23 Ag2 B2 F8 N9 O2 S2 -","- C21 H23 Ag2 B2 F8 N9 O2 S2 -","- C84 H92 Ag8 B8 F32 N36 O8 S8 -","4","1","","Amoore, Jarrod J. M.; Black, Cory A.; Hanton, Lyall R.; Spicer, Mark D.","Increasing Structural Dimensionality in Ag(I) Coordination Polymers Formed from the Same Flexible Multimodal Thioether Pyrazine Ligand","Crystal Growth & Design","2005","5","3","1255","","10.1021/cg050011+","","x-ray","0.71073","MoKα","","0.0299","0.0235","","","0.0505","0.0524","","","","","","1.059","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511785","7.9669","0.0005","9.9375","0.0007","8.7046","0.0005","90","","90.186","0.005","90","","689.15","0.08","130","2","130","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H6 Li N O4 -","- C6 H6 Li N O4 -","- C24 H24 Li4 N4 O16 -","4","1","","White, Keith F.; Abrahams, Brendan F.; Maynard-Casely, Helen; Robson, Richard","Li+and Ca2+Derivatives of the Isonicotinate-N-oxide Ion Including Single Crystal-to-Single Crystal Transformations","Crystal Growth & Design","2014","14","9","4602","","10.1021/cg500710t","","","1.54184","CuKα","","0.0513","0.0475","","","0.1387","0.1412","","","","","","1.205","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511850","9.1127","0.0003","13.0832","0.0005","18.4154","0.0007","90","","97.724","0.003","90","","2175.62","0.14","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H22 N2 Ni O10 -","- C22 H22 N2 Ni O10 -","- C88 H88 N8 Ni4 O40 -","4","1","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.0618","0.0514","","","0.1572","0.1688","","","","","","1.032","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511851","9.0212","0.0005","13.2138","0.0009","30.273","0.002","90","","91.213","0.006","90","","3607.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C40 H34 Co N4 O12 -","- C40 H30 Co N4 O12 -","- C160 H120 Co4 N16 O48 -","4","1","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.1105","0.0936","","","0.1905","0.1993","","","","","","1.087","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4512832","9.4587","0.0004","22.0806","0.0007","14.0805","0.0005","90","","108.219","0.004","90","","2793.34","0.19","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","triiodoimidazole","2,4,5-triiodo-1H-imidazole","","- C3 H I3 N2 -","- C3 H I3 N2 -","- C36 H12 I36 N24 -","12","3","","Andrzejewski, Michał; Marciniak, Jędrzej; Rajewski, Kacper W.; Katrusiak, Andrzej","Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles","Crystal Growth & Design","2015","15","4","1658","","10.1021/cg501561w","","","0.71073","MoKα","","0.2209","0.071","","","0.1406","0.1983","","","","","","0.983","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4513024","23.59331","0.00044","13.84586","0.00028","6.80104","0.0001","90","","95.1952","0.0017","90","","2212.57","0.07","303","","303","","0","","0","","","","","6","P 1 21/a 1","-P 2yab","14","Thecotrichite","","","- C6 H21 Ca3 Cl N2 O18 -","- C6 Ca3 Cl N2 O18 -","- C24 Ca12 Cl4 N8 O72 -","4","1","","Wahlberg, Nanna; Runčevski, Tomče; Dinnebier, Robert E.; Fischer, Andrea; Eggert, Gerhard; Iversen, Bo B.","Crystal Structure of Thecotrichite, an Efflorescent Salt on Calcareous Objects Stored in Wooden Cabinets","Crystal Growth & Design","2015","15","6","2795","","10.1021/acs.cgd.5b00197","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","2.97277","","","","","","","has coordinates","287887","2023-11-30","13:27:20",""
"4513062","14.77452","0.00098","15.246","0.0011","9.30985","0.00069","90","","79.5039","0.0058","90","","2062","0.3","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","catena-(bis(4-pyrazolato)methane)-cd(ii)","","- C14 H12 Cd2 N8 -","- C14 H12 Cd2 N8 -","- C56 H48 Cd8 N32 -","4","1","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","137778","2020-10-21","18:00:00",""
"4513281","12.9231","0.0008","4.4816","0.0001","17.2952","0.0015","90","","143.48","0.004","90","","596.1","0.09","293","2","293","2","2080000","110000","2080000","110000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As4 O6 -","- As4 O6 -","- As16 O24 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0627","0.0481","","","0.1163","0.1375","","","","","","1.15","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513282","12.8439","0.0014","4.4632","0.0001","17.122","0.003","90","","143.381","0.008","90","","585.47","0.16","293","2","293","2","2590000","50000","2590000","50000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As4 O6 -","- As4 O6 -","- As16 O24 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0725","0.0646","","","0.1693","0.1879","","","","","","1.152","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513283","12.7203","0.0007","4.4269","0.0001","16.8699","0.0013","90","","143.284","0.004","90","","567.94","0.08","293","2","293","2","3750000","50000","3750000","50000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As4 O6 -","- As4 O6 -","- As16 O24 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0537","0.0452","","","0.1157","0.1312","","","","","","1.099","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513284","12.6524","0.0007","4.4082","0.0001","16.7237","0.0014","90","","143.209","0.004","90","","558.62","0.08","293","2","293","2","4540000","360000","4540000","360000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As4 O6 -","- As4 O6 -","- As16 O24 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0603","0.0524","","","0.1371","0.1515","","","","","","1.117","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513285","12.5859","0.0005","4.3845","0.0005","16.5934","0.0009","90","","143.183","0.003","90","","548.73","0.08","293","2","293","2","5140000","70000","5140000","70000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As4 O6 -","- As4 O6 -","- As16 O24 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0548","0.0488","","","0.124","0.1348","","","","","","1.105","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513286","12.727","0.01","13.0569","0.0007","16.455","0.017","90","","143.8","0.2","90","","1615","8","293","2","293","2","6080000","50000","6080000","50000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As12 O18 -","- As12 O18 -","- As48 O72 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.1724","0.1166","","","0.3573","0.4428","","","","","","1.19","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513287","12.655","0.01","12.9892","0.0007","16.282","0.018","90","","143.9","0.2","90","","1577","8","293","2","293","2","7230000","150000","7230000","150000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As12 O18 -","- As12 O18 -","- As48 O72 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.188","0.1308","","","0.3774","0.4608","","","","","","1.2","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513288","12.599","0.011","12.9232","0.0007","16.142","0.018","90","","144.1","0.2","90","","1541","8","293","2","293","2","8510000","110000","8510000","110000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As12 O18 -","- As12 O18 -","- As48 O72 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.2006","0.1488","","","0.391","0.4672","","","","","","1.277","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513289","12.543","0.01","12.8595","0.0007","16.032","0.018","90","","144.2","0.2","90","","1513","8","293","2","293","2","9600000","70000","9600000","70000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As12 O18 -","- As12 O18 -","- As48 O72 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.2265","0.1702","","","0.4161","0.5026","","","","","","1.346","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513297","12.588","0.003","4.3812","0.0002","16.593","0.004","90","","143.199","0.013","90","","548.2","0.3","293","2","293","2","4850000","100000","4850000","100000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As4 O6 -","- As4 O6 -","- As16 O24 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.147","0.1208","","","0.3017","0.3232","","","","","","1.291","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513298","12.905","0.003","4.4711","0.0003","17.262","0.006","90","","143.483","0.019","90","","592.7","0.4","293","2","293","2","2310000","180000","2310000","190000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As4 O6 -","- As4 O6 -","- As16 O24 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.1257","0.1066","","","0.2737","0.3006","","","","","","1.221","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513721","5.614","0.002","32.096","0.012","11.011","0.002","90","","101.47","0.03","90","","1944.4","1.1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C23 H20 O4 S -","- C23 H20 O4 S -","- C92 H80 O16 S4 -","4","1","","Dar, Ajaz A.; Enjamuri, Nagasuresh; Shadab, Md; Ali, Nahid; Khan, Abu T.","Synthesis of Unsymmetrical Sulfides and Their Oxidation to Sulfones to Discover Potent Antileishmanial Agents.","ACS combinatorial science","2015","17","11","671","681","10.1021/acscombsci.5b00044","","","0.71073","MoKα","","0.0974","0.0671","","","0.1422","0.1654","","","","","","1.05","","","","has coordinates","170705","2020-10-21","18:00:00",""
"4514144","6.9311","0.0004","19.6495","0.0009","10.2901","0.0005","90","","104.068","0.005","90","","1359.4","0.12","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H17 N5 O -","- C15 H17 N5 O -","- C60 H68 N20 O4 -","4","1","","Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction.","ACS combinatorial science","2017","19","5","343","350","10.1021/acscombsci.7b00033","","","0.71073","MoKα","","0.1096","0.054","","","0.0957","0.1213","","","","","","1.067","","","","has coordinates","197213","2020-10-21","18:00:00",""
"4514148","12.0138","0.0003","11.5538","0.0002","16.1111","0.0004","90","","103.49","0.003","90","","2174.6","0.09","130","2","130","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H15 N5 O -","- C9 H15 N5 O -","- C72 H120 N40 O8 -","8","2","","Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction.","ACS combinatorial science","2017","19","5","343","350","10.1021/acscombsci.7b00033","","","0.71073","MoKα","","0.073","0.0545","","","0.129","0.1412","","","","","","1.052","","","","has coordinates,has disorder","197217","2020-10-21","18:00:00",""
"4516333","8.36352","0.00005","16.48723","0.00011","6.71641","0.00005","90","","105.536","0.0004","90","","892.295","0.011","350","","350","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1-ethyl-2,3-dimethylimidazolium chloride","","","- C7 H13 Cl N2 -","- C7 H13 Cl N2 -","- C28 H52 Cl4 N8 -","4","1","","de Pedro, I.; García-Saiz, A.; Dupont, J.; Migowski, P.; Vallcorba, O.; Junquera, J.; Rius, J.; Rodríguez Fernández, J.","On the Colossal and Highly Anisotropic Thermal Expansion Exhibited by Imidazolium Salts","Crystal Growth & Design","2015","15","11","5207","","10.1021/acs.cgd.5b00633","powder diffraction","","0.95336","Synchrotron","","","","","","","","","0.048","5.581","","","","","","","has coordinates","231259","2020-10-21","18:00:00",""
"4516334","7.84646","0.00008","17.33453","0.00017","6.75078","0.00007","90","","100.287","0.0006","90","","903.446","0.016","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1-ethyl-2,3-dimethylimidazolium bromide","","","- C7 H13 Br N2 -","- C7 H13 Br N2 -","- C28 H52 Br4 N8 -","4","1","","de Pedro, I.; García-Saiz, A.; Dupont, J.; Migowski, P.; Vallcorba, O.; Junquera, J.; Rius, J.; Rodríguez Fernández, J.","On the Colossal and Highly Anisotropic Thermal Expansion Exhibited by Imidazolium Salts","Crystal Growth & Design","2015","15","11","5207","","10.1021/acs.cgd.5b00633","powder diffraction","","0.95336","Synchrotron","","","","","","","","","0.091","10.663","","","","","","","has coordinates","231260","2020-10-21","18:00:00",""
"4516335","8.35615","0.00005","17.03644","0.00011","6.87656","0.00005","90","","104.287","0.0004","90","","948.664","0.011","350","","350","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1-ethyl-2,3-dimethylimidazolium bromide","","","- C7 H13 Br N2 -","- C7 H13 Br N2 -","- C28 H52 Br4 N8 -","4","1","","de Pedro, I.; García-Saiz, A.; Dupont, J.; Migowski, P.; Vallcorba, O.; Junquera, J.; Rius, J.; Rodríguez Fernández, J.","On the Colossal and Highly Anisotropic Thermal Expansion Exhibited by Imidazolium Salts","Crystal Growth & Design","2015","15","11","5207","","10.1021/acs.cgd.5b00633","powder diffraction","","0.95336","Synchrotron","","","","","","","","","0.055","5.347","","","","","","","has coordinates","231261","2020-10-21","18:00:00",""
"4516336","7.99132","0.00006","16.45676","0.00013","6.68451","0.00006","90","","104.042","0.0005","90","","852.821","0.012","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1-ethyl-2,3-dimethylimidazolium chloride","","","- C7 H13 Cl N2 -","- C7 H13 Cl N2 -","- C28 H52 Cl4 N8 -","4","1","","de Pedro, I.; García-Saiz, A.; Dupont, J.; Migowski, P.; Vallcorba, O.; Junquera, J.; Rius, J.; Rodríguez Fernández, J.","On the Colossal and Highly Anisotropic Thermal Expansion Exhibited by Imidazolium Salts","Crystal Growth & Design","2015","15","11","5207","","10.1021/acs.cgd.5b00633","powder diffraction","","0.82621","Synchrotron","","","","","","","","","0.057","8.499","","","","","","","has coordinates","231262","2020-10-21","18:00:00",""
"4516681","6.1162","0.0019","15.02","0.005","17.666","0.006","90","","96.537","0.005","90","","1612.3","0.9","120","2","120","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","1,1,1,2-tetrafluorohepta-2,5-diene","","","- C20 H18 F4 -","- C20 H18 F4 -","- C80 H72 F16 -","4","1","","Ichitsuka, Tomohiro; Fujita, Takeshi; Ichikawa, Junji","Nickel-Catalyzed Allylic C(sp3)‒F Bond Activation of Trifluoromethyl Groups via β-Fluorine Elimination: Synthesis of Difluoro-1,4-dienes","ACS Catalysis","2015","5","10","5947","","10.1021/acscatal.5b01463","","","0.71073","MoKα","","0.1027","0.0537","","","0.1001","0.1179","","","","","","1.01","","","","has coordinates","239450","2020-10-21","18:00:00",""
"4518471","9.912","0.002","17.662","0.004","10.435","0.002","90","","114.281","0.002","90","","1665.2","0.6","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H2 B F13 -","- C19 H2 B F13 -","- C76 H8 B4 F52 -","4","1","","Nakashima, Tomoya; Nakayama, Yuushou; Shiono, Takeshi; Tanaka, Ryo","Neutral, Noncoordinating, and Hydrocarbon-Soluble Protic Cocatalyst for Olefin Polymerization","ACS Catalysis","2021","11","2","865","870","10.1021/acscatal.0c04758","","","0.71069","MoKα","","0.0374","0.0349","","","0.1134","0.1159","","","","","","1.056","","","","has coordinates","261416","2021-02-03","20:28:06",""
"5000043","9.502","","11.974","","3.24","","90","","98.75","","90","","364.3","","","","","","","","","","","","natural","4","P 1 21/a 1","-P 2yab","14","","Dicopper dihydroxide carbonate","Malachite","- C H2 Cu2 O5 -","- C H2 Cu2 O5 -","- C4 H8 Cu8 O20 -","4","1","","Zigan, F; Joswig, W; Schuster, H U; Mason, S A","Verfeinerung der Struktur von Malachit, Cu2 (O H)2 C O3, durch Neutronenbeugung","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1977","145","","412","426","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"5000063","12.817","0.016","5.628","0.007","11.465","0.015","90","","111.22","0.1","90","","770.94","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C6 H8 O7 -","- C6 H8 O7 -","- C24 H32 O28 -","4","1","","Glusker, J. P.; Minkin, J. A.; Patterson, A. L.","X-ray crystal analysis of the substrates of aconitase. IX. A refinement of the structure of anhydrous citric acid","Acta Crystallographica Section B","1969","25","6","1066","1072","10.1107/S0567740869003542","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000108","14.8","0.1","16.7","0.1","3.97","0.03","90","","97","5","90","","973.91","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","caffeine monohydrate","1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione hydrate","","- C8 H12 N4 O3 -","- C8 H10 N4 O3 -","- C32 H40 N16 O12 -","4","1","","Sutor, D. J.","The structures of the pyrimidines and purines. VII. The crystal structure of caffeine","Acta Crystallographica","1958","11","7","453","458","10.1107/S0365110X58001286","","","","","","","","","","","","","","","","","","","","","has coordinates","267935","2021-08-04","09:03:05",""
"5000126","12.9284","0.0041","13.3537","0.0068","7.9763","0.0017","90","","90.01","0.03","90","","1377.04","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H13 Cl N2 O -","- C16 H13 Cl N2 O -","- C64 H52 Cl4 N8 O4 -","4","1","","Camerman, Arthur; Camerman, Norman","Stereochemical basis of anticonvulsant drug action. II. Molecular structure of diazepam","Journal of the American Chemical Society","1972","94","1","268","272","10.1021/ja00756a047","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000140","11.02","0.004","6.795","0.001","14.964","0.004","90","","124.15","0.02","90","","927.31","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H2 Cl N3 O6 -","- C6 H2 Cl N3 O6 -","- C24 H8 Cl4 N12 O24 -","4","1","","Willis, J. S.; Stewart, J. M.; Ammon, H. L.; Preston, H. S.; Gluyas, R. E.; Harris, P. M.","The crystal structure of picryl chloride","Acta Crystallographica Section B","1971","27","4","786","793","10.1107/S0567740871002929","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000168","8.5526","0.0012","6.0158","0.0011","11.172","0.0016","90","","124.596","0.015","90","","473.168","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","Anthracene","","- C14 H10 -","- C28 H20 -","- C56 H40 -","2","0.5","","Brock, C. P.; Dunitz, J. D.","Temperature dependence of thermal motion in crystalline anthracene","Acta Crystallographica Section B","1990","46","6","795","806","10.1107/S0108768190008382","","","","","","","4.4","","","4.4","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000176","15.762","0.005","7.694","0.002","12.526","0.004","90","","93.38","0.02","90","","1516.42","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H6 Cl8 -","- C10 H6 Cl8 -","- C40 H24 Cl32 -","4","1","","Knox, J. R.; Raston, C. L.; White, A. H.","Crystal Structures of the cis - and trans -Chlordanes and Their Photoisomers","Australian Journal of Chemistry","1979","32","3","553","565","10.1071/CH9790553","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000186","16.119","","4.702","","10.102","","90","","110.9","","90","","715.27","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C24 H12 -","- C48 H24 -","- C96 H48 -","2","0.5","","Fawcett, J. K.; Trotter, J.","The Crystal and Molecular Structure of Coronene","Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences","1966","289","1418","366","376","10.1098/rspa.1966.0017","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000189","9.226","0.001","11.104","0.001","14.622","0.002","90","","107.79","0.01","90","","1426.33","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H15 N3 O6 -","- C12 H15 N3 O6 -","- C48 H60 N12 O24 -","4","1","","Padmanabhan, Kaillathe; Döpp, Dietrich; Venkatesan, Kailasam; Ramamurthy, Vaidyanathan","Solid-state photochemistry of nitro compounds: structure-reactivity correlations","Journal of the Chemical Society, Perkin Transactions 2","1986","","6","897","906","10.1039/P29860000897","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000272","11.5","","4.85","","12.6","","90","","104","","90","","681.89","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H8 Br2 N2 O2 -","- C32 Br4 N4 O4 -","- C64 Br8 N8 O8 -","2","0.5","","Süsse, P.; Krampe, C.","6,6'-Dibromo-indigo, a Main Component of Tyrian Purple","Naturwissenschaften","1979","66","2","110","110","10.1007/BF00373504","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000318","19.156","0.002","13.8038","0.0014","20.759","0.002","90","","112.312","0.006","90","","5078.3","1","105","","105","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C41 H90 O8 W2 -","- C40.9999 H79 O8 W2 -","- C164 H316 O32 W8 -","4","1","","","","","","","","","","","","","0.71069","MoKα","","","0.0308","","","","0.0331","","","","","","0.8382","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"5000321","15.317","0.002","18.303","0.003","16.168","0.003","90","","108.913","0.008","90","","4288.1","1.3","104","","104","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C76 H62 Cl12 Fe8 N10 O12 -","- C76 H62 Cl12 Fe8 N10 O12 -","- C152 H124 Cl24 Fe16 N20 O24 -","2","0.5","","","","","","","","","","","","","0.71069","MoKα","","","0.0551","","","","0.0576","","","","","","1.2298","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"5000347","14.255","0.012","8.592","0.007","15.339","0.012","90","","113.37","0.04","90","","1725","2","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C21 H12 N3 P -","- C21 H12 N3 P -","- C84 H48 N12 P4 -","4","1","","","","","","","","","","","","","0.71069","MoKα","","","0.0485","","","","0.0374","","","","","","1.3047","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"5000369","11.864","0.007","12.315","0.008","8.585","0.005","90","","109.59","0.03","90","","1181.8","1.3","103","","103","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C19 H43 Cl O P2 Ru -","- C19 H42 Cl O P2 Ru -","- C38 H84 Cl2 O2 P4 Ru2 -","2","0.5","","","","","","","","","","","","","0.71069","MoKα","","0.0756","0.0485","","0.1323","0.1204","","","","1.157","1.301","1.301","","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"5900035","11.05","0.03","3.86","0.01","7.98","0.02","90","","98","0.3","90","","337.06","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Acetylene dicarboxylic acid dihydrate","","- C4 H6 O6 -","- C4 O6 -","- C8 O12 -","2","0.5","","Dunitz, J. D.; Robertson, J. Monteath","The crystal and molecular structure of certain dicarboxylic acids. Part II. Acetylenedicarboxylic acid dihydrate","Journal of the Chemical Society","1947","","","148","154","10.1039/JR9470000148","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900040","10.1","0.03","5","0.01","15.1","0.05","90","","133.8","0.3","90","","550.38","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","Sebacic acid","Decanedioic acid","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","0.5","","Morrison, J. D.; Robertson, J. Monteath","The crystal and molecular structure of certain dicarboxylic acids. Part VI. Sebacic acid","Journal of the Chemical Society","1949","","","993","1001","10.1039/JR9490000993","","","","","","","","","","","","","","","","","","","","","has coordinates","285098","2023-07-08","12:39:39",""
"5910159","7.4","","13.83","","5.16","","90","","109.3","","90","","498.407","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- F8 N4 P4 -","- F16 N8 P8 -","- F16 N8 P8 -","","","","Wyckoff, R. W. G.","Page 467 & 468 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","","467","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"6000140","16.2271","","9.5805","","18.9208","","90","","125.399","","90","","2397.75","","","","50","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- Mo3 O12 Sc2 -","- Mo3 O12 Sc2 -","- Mo24 O96 Sc16 -","8","2","","Evans, J. S. O.; Mary, T. A.","Structural phase transitions and negative thermal expansion in Sc2(MoO4)(3)","International Journal of Inorganic Materials","2000","2","","143","151","10.1016/S1466-6049(00)00012-X","","","","","","","","","","","","","","","","","","","","","has coordinates","208441","2020-10-21","18:00:00",""
"6000150","5.552","","6.668","","6.124","","90","","115","","90","","205.47","","","","","","","","","","","","","4","P 1 21/a 1","","","","","Belloite","- Cl Cu H O -","","","","","","Schluter, J.; Klaska, K. H.; Gebhard, G.","Belloite, Cu(OH)Cl, a new mineral from Sierra Gorda, Antofagasta, Chile","Neues Jahrbuch Fur Mineralogie-Monatshefte","2000","","","67","73","","","","","","","","","","","","","","","","","","","","","","","201212","2020-10-21","18:00:00",""
"6000221","11.599","","11.55","","8.575","","90","","110.76","","90","","1074.19","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H12 N4 O4 -","- C9 H12 N4 O4 -","- C36 H48 N16 O16 -","4","1","","Chernyshev, V. V.; Yatsenko, A. V.; Tafeenko, V. A.; Sonneveld, E. J.; Schenk, H.; Makarov, V. A.","Crystal and molecular structure of 1-amino-4-methoxycarbonyl-3-methyl-8-oxopyrazolo[1,5-a]pyrimidine monohydrate from laboratory powder data","Powder Diffraction","1999","14","","289","292","10.1017/S0885715600010708","","","","","","","","","","","","","","","","","","","","","has coordinates","208442","2020-10-21","18:00:00",""
"6000414","9.057","","12.211","","6.155","","90","","104.82","","90","","658.07","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Co H12 K2 O14 S2 -","- Co H12 K2 O14 S2 -","- Co2 H24 K4 O28 S4 -","2","0.5","","Kirfel, A.; Klapper, H.; Schafer, W.; Schwabenlander, F.","The crystal structure of Tutton's salt type K-2[Co(H2O)(6)](SO4)(2). A combined X-ray and neutron study","Zeitschrift für Kristallographie","1998","213","9","456","460","10.1524/zkri.1998.213.9.456","","","","","","","","","","","","","","","","","","","","","has coordinates","208443","2020-10-21","18:00:00",""
"6000557","8.146","","5.8533","","7.9616","","90","","111.722","","90","","352.66","","","","1.5","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Br F3 -","- C Br F3 -","- C4 Br4 F12 -","4","1","","Jouanneaux, A.; Fitch, A. N.; Cockcroft, J. K.","The crystal-structure of CBrF3 by high-resolution powder neutron-diffraction","Molecular Physics","1992","77","","45","50","10.1080/00268979200102301","","","","","","","","","","","","","","","","","","","","","has coordinates","208444","2020-10-21","18:00:00",""
"7000306","14.945","0.0004","8.272","0.0002","17.7852","0.0004","90","","104.903","0.003","90","","2124.74","0.1","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C21 H24 Br2 N2 Si -","- C21 H24 Br2 N2 Si -","- C84 H96 Br8 N8 Si4 -","4","1","","Xiong, Yun; Yao, Shenglai; Driess, Matthias","Twice silicon-induced C‒H activation and tautomerisation of a β-diketiminato ligand and formation of new types of N-heterocyclic silanes","Dalton Transactions","2009","","3","421","423","10.1039/b820285k","","","0.71073","MoKα","","0.0565","0.0305","","","0.063","0.0708","","","","","","0.99","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7000314","20.304","0.009","9.91","0.005","20.779","0.009","90","","110.97","0.05","90","","3904","3","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C35 H30 N2 O8 P2 Ru3 S -","- C35 H30 N2 O8 P2 Ru3 S -","- C140 H120 N8 O32 P8 Ru12 S4 -","4","1","","Delferro, Massimiliano; Pattacini, Roberto; Cauzzi, Daniele; Graiff, Claudia; Terenghi, Mattia; Predieri, Giovanni; Tiripicchio, Antonio","Reactivity of the zwitterionic ligand EtNHC(S)Ph2PNPPh2C(S)NEt towards [Ru3(CO)12]. Sulfur transfer and ligand fragmentation leading to the methideylamide [-N(Et)-CH(R)-] μ3-bridging moiety","Dalton Transactions","2009","","3","544","549","10.1039/b812050a","","","0.71073","MoKα","","0.0757","0.0433","","","0.0778","0.0912","","","","","","1.159","","","","has coordinates","179681","2020-10-21","18:00:00",""
"7000510","19.647","0.001","28.417","0.002","26.741","0.001","90","","96.067","0.005","90","","14846.1","1.4","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C92 H200 Cu8 N32 O64 -","- C92 H124 Cu8 N32 O64 -","- C368 H496 Cu32 N128 O256 -","4","1","","Bartoli, Stefania; Bazzicalupi, Carla; Biagini, Silvia; Borsari, Lucia; Bencini, Andrea; Faggi, Enrico; Giorgi, Claudia; Sangregorio, Claudio; Valtancoli, Barbara","Cu(ii) complexation with an acridine-containing macrocycle. Assembly of water cluster chains within the cavity of tetranuclear metallomacrocycles","Dalton Transactions","2009","","7","1223","1230","10.1039/b815040k","","","1.5418","CuKα","","0.1949","0.0795","","","0.1937","0.2542","","","","","","1.036","","","","has coordinates","179683","2020-10-21","18:00:00",""
"7000650","13.449","0.0003","16.9198","0.0004","14.3837","0.0003","90","","94.4454","0.0012","90","","3263.23","0.13","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H50 O2 Ru Si4 -","- C28 H50 O2 Ru Si4 -","- C112 H200 O8 Ru4 Si16 -","4","1","","Ochiai, Mitsuyoshi; Hashimoto, Hisako; Tobita, Hiromi","Reactions of a hydrido(hydrosilylene)ruthenium complex with carbonyl compounds","Dalton Transactions","2009","","10","1812","1814","10.1039/b819229b","","","0.71069","MoKα","","0.0346","0.0291","","","0.0861","0.0957","","","","","","1.291","","","","has coordinates","179684","2020-10-21","18:00:00",""
"7000738","18.8004","0.0004","18.6689","0.0004","20.223","0.0004","90","","92.86","0.0008","90","","7089.1","0.3","173","1","173","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C85 H86 B2 Ir2 N P -","- C85 H86 B2 Ir2 N P -","- C340 H344 B8 Ir8 N4 P4 -","4","1","","Takahashi, Yoshinori; Murakami, Naoaki; Fujita, Ken-ichi; Yamaguchi, Ryohei","Synthesis and reactivity of homo- and hetero-dimetallic complexes bridged by diphenyl-2-pyridylphosphine and hydrides: regioselectivity of alkyne insertion into unsaturated M1(μ-PPh2Py)(μ-H)2M2 moieties","Dalton Transactions","2009","","11","2029","2042","10.1039/b815890h","","","0.71075","MoKα","","","0.0292","","","","0.0404","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7001204","22.513","0.0007","12.89","0.0003","25.7752","0.0008","90","","112.482","0.001","90","","6911.3","0.3","173","1","173","1","","","","","","","","7","P 1 21/a 1","-P 2yab","14","s50","","","- C74 H42 Cl4 F20 Fe2 P2 Pt2 -","- C74 H42 Cl4 F20 Fe2 P2 Pt2 -","- C296 H168 Cl16 F80 Fe8 P8 Pt8 -","4","1","","Díez, Álvaro; Lalinde, Elena; Teresa Moreno, M.; Sánchez, Sergio","Platinum complexes having redox-active PPh2CCFc and/or CCFc as terminal or bridging ligands","Dalton Transactions","2009","","18","3434","3446","10.1039/b822171e","","","0.71073","MoKα","","0.0545","0.0415","","","0.0799","0.0857","","","","","","1.158","","","","has coordinates,has disorder","179709","2020-10-21","18:00:00",""
"7001287","12.095","0.004","6.324","0.002","16.131","0.005","90","","110.249","0.0015","90","","1157.6","0.6","173.1","","173","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H30 N4 O2 -","- C26 H30 N4 O2 -","- C52 H60 N8 O4 -","2","0.5","","Mikata, Yuji; Yamashita, Azusa; Kawamura, Ayano; Konno, Hideo; Miyamoto, Yuka; Tamotsu, Satoshi","Bisquinoline-based fluorescent zinc sensors","Dalton Transactions","2009","","19","3800","3806","10.1039/b820763a","","","0.7107","MoKα","","0.0662","0.0501","","","0.1167","0.1286","","","","","","1.056","","","","has coordinates","295947","2024-11-15","22:25:06",""
"7001410","19.57","0.0008","8.139","0.0003","23.911","0.0012","90","","103.246","0.002","90","","3707.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C33 H45 Br3 Cu3 N3 S3 -","- C33 H45 Br3 Cu3 N3 S3 -","- C132 H180 Br12 Cu12 N12 S12 -","4","1","","Köhn, Randolf D.; Tomás Laudo, Lorena; Pan, Zhida; Speiser, Fredy; Kociok-Köhn, Gabriele","Triangular tricopper(i) clusters supported by donor-substituted triazacyclohexanes","Dalton Transactions","2009","","23","4556","4568","10.1039/b819268e","","","0.71073","MoKα","","0.2383","0.1991","","","0.4477","0.4677","","","","","","1.104","","","","has coordinates","179712","2020-10-21","18:00:00",""
"7001986","8.1173","0.0001","16.0772","0.0003","14.261","0.0003","90","","99.706","0.001","90","","1834.47","0.06","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H25 Br N2 O -","- C20 H25 Br N2 O -","- C80 H100 Br4 N8 O4 -","4","1","","Binobaid, Abeer; Iglesias, Manuel; Beetstra, Dirk J.; Kariuki, Benson; Dervisi, Athanasia; Fallis, Ian A.; Cavell, Kingsley J.","Expanded ring and functionalised expanded ring N-heterocyclic carbenes as ligands in catalysis","Dalton Transactions","2009","","35","7099","","10.1039/b909834h","","","0.71073","MoKα","","0.0566","0.042","","","0.0927","0.0995","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7001995","8.978","0.001","16.022","0.001","14.812","0.001","90","","104.31","0.02","90","","2064.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C21 H27 B F4 N2 O -","- C21 H27 B F4 N2 O -","- C84 H108 B4 F16 N8 O4 -","4","1","","Binobaid, Abeer; Iglesias, Manuel; Beetstra, Dirk J.; Kariuki, Benson; Dervisi, Athanasia; Fallis, Ian A.; Cavell, Kingsley J.","Expanded ring and functionalised expanded ring N-heterocyclic carbenes as ligands in catalysis","Dalton Transactions","2009","","35","7099","","10.1039/b909834h","","","0.71073","MoKα","","0.1727","0.127","","","0.3184","0.3471","","","","","","1.076","","","","has coordinates","179717","2020-10-21","18:00:00",""
"7002042","13.401","0.0016","13.4541","0.001","14.9057","0.0018","90","","111.894","0.004","90","","2493.6","0.5","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H36 Cl N3 O3 Pd -","- C23 H36 Cl N3 O3 Pd -","- C92 H144 Cl4 N12 O12 Pd4 -","4","1","","de K. Lewis, Alexandra K.; Caddick, Stephen; Esposito, Oriana; Cloke, F. Geoffrey N.; Hitchcock, Peter B.","Synthetic and structural studies on amine coordination to Pd-N-heterocyclic carbene complexes","Dalton Transactions","2009","","35","7094","","10.1039/b907102d","","x-ray","0.71073","MoKα","","0.1225","0.0869","","","0.2113","0.2369","","","","","","1.012","","","","has coordinates","179718","2020-10-21","18:00:00",""
"7002494","11.1961","0.0013","5.0195","0.0003","26.472","0.003","90","","91.69","0.01","90","","1487","0.3","153","2","153","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H14 N2 O2 S2 -","- C16 H14 N2 O2 S2 -","- C64 H56 N8 O8 S8 -","4","1","","Siemeling, Ulrich; Bruhn, Clemens; Bretthauer, Frauke; Borg, Marta; Träger, Frank; Vogel, Florian; Azzam, Waleed; Badin, Mihaela; Strunskus, Thomas; Wöll, Christof","Photoresponsive SAMs on gold fabricated from azobenzene-functionalised asparagusic acid derivatives","Dalton Transactions","2009","","40","8593","8604","10.1039/b905025f","","","0.71073","MoKα","","0.0476","0.0315","","","0.0756","0.1063","","","","","","1.135","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7002553","12.3834","0.0016","12.9413","0.0015","14.1336","0.0017","90","","109.417","0.004","90","","2136.2","0.5","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C40 H52 F12 N4 O2 Zn2 -","- C40 H52 F12 N4 O2 Zn2 -","- C80 H104 F24 N8 O4 Zn4 -","2","0.5","","Grunova, Ekaterina; Roisnel, Thierry; Carpentier, Jean-François","Zinc complexes of fluorous alkoxide-imino ligands: Synthesis, structure, and use in ring-opening polymerization of lactide and β-butyrolactone","Dalton Transactions","2009","","41","9010","9019","10.1039/b902087j","","x-ray","0.71073","MoKα","","0.0558","0.035","","","0.0837","0.0943","","","","","","1.045","","","","has coordinates","179729","2020-10-21","18:00:00",""
"7002616","15.5478","0.0002","9.7599","0.0001","22.1039","0.0003","90","","106.18","0.001","90","","3221.3","0.07","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","Chisholm 1494a","","","- C35 H54.2 N2 O0.105 -","- C35 H54 N2 O0.105 -","- C140 H216 N8 O0.42 -","4","1","","Ayala, Carla N.; Chisholm, Malcolm H.; Gallucci, Judith C.; Krempner, Clemens","Chemistry of BDI*M(2+) complexes (M = Mg, Zn) and their role in lactide polymerization where BDI* is the anion derived from methylenebis(C-tBu, N-2,6-diisopropylphenyl)imine BDI*H","Dalton Transactions","2009","","42","9237","","10.1039/b910669c","","x-ray","0.71073","MoKα","","0.0715","0.0488","","","0.1189","0.1296","","","","","","1.043","","","","has coordinates,has disorder","179730","2020-10-21","18:00:00",""
"7002619","16.741","0.0002","17.8475","0.0002","24.4862","0.0003","90","","108.584","0.001","90","","6934.63","0.15","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","(BDI)ZnEt","","","- C37 H58 N2 Zn -","- C37 H58 N2 Zn -","- C296 H464 N16 Zn8 -","8","2","","Ayala, Carla N.; Chisholm, Malcolm H.; Gallucci, Judith C.; Krempner, Clemens","Chemistry of BDI*M(2+) complexes (M = Mg, Zn) and their role in lactide polymerization where BDI* is the anion derived from methylenebis(C-tBu, N-2,6-diisopropylphenyl)imine BDI*H","Dalton Transactions","2009","","42","9237","","10.1039/b910669c","","x-ray","0.71073","MoKα","","0.0719","0.0444","","","0.1057","0.1179","","","","","","1.036","","","","has coordinates","179730","2020-10-21","18:00:00",""
"7002789","17.0068","0.0002","19.5863","0.0002","17.7921","0.0002","90","","93.7974","0.001","90","","5913.54","0.11","110","2","110","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C66 H54 Fe3 N15 O6 -","- C66 H54 Fe3 N15 O6 -","- C264 H216 Fe12 N60 O24 -","4","1","","Herchel, Radovan; Šindelář, Zdeněk; Trávníček, Zdeněk; Zbořil, Radek; Vančo, Ján","Novel 1D chain Fe(III)-salen-like complexes involving anionic heterocyclic N-donor ligands. Synthesis, X-ray structure, magnetic, 57Fe Mössbauer, and biological activity studies","Dalton Transactions","2009","","44","9870","9880","10.1039/b912676g","","","0.71073","MoKα","","0.0412","0.0283","","","0.0765","0.089","","","","","","1.159","","","","has coordinates","179731","2020-10-21","18:00:00",""
"7003063","14.886","0.004","18.276","0.008","16.665","0.004","90","","115.44","0.02","90","","4094","2","293","2","293","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C34 H35 F12 N7 O P2 Ru S2 -","- C34 H33 F12 N7 O P2 Ru S2 -","- C136 H132 F48 N28 O4 P8 Ru4 S8 -","4","1","","Rajendiran, Venugopal; Murali, Mariappan; Suresh, Eringathodi; Sinha, Sarika; Somasundaram, Kumaravel; Palaniandavar, Mallayan","Mixed ligand ruthenium(ii) complexes of bis(pyrid-2-yl)-/bis(benzimidazol-2-yl)-dithioether and diimines: Study of non-covalent DNA binding and cytotoxicity","Dalton Transactions","2008","","1","148","","10.1039/b710578a","","","0.71073","MoKα","","0.1276","0.0716","","","0.169","0.2064","","","","","","1.138","","","","has coordinates","179734","2020-10-21","18:00:00",""
"7003546","10.4453","0.0004","15.2797","0.0006","13.4194","0.0005","90","","97.7604","0.0006","90","","2122.13","0.14","150","","150","","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H22 N P S -","- C26 H22 N P S -","- C104 H88 N4 P4 S4 -","4","1","","Bayly, Simon R.; Cowley, Andrew R.; Dilworth, Jonathan R.; Ward, Caroline V.","Ruthenium complexes with tridentate PNX (X = O, S) donor ligands","Dalton Transactions","2008","","16","2190","2198","10.1039/b717025d","","","0.71073","MoKα","","","0.038","","","","0.0437","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7003756","18.724","0.0001","10.814","0.0001","20.913","0.0002","90","","108.651","0.001","90","","4012.11","0.06","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C45 H48 N4 O3 Ru -","- C45 H48 N4 O3 Ru -","- C180 H192 N16 O12 Ru4 -","4","1","","Chantler, Victoria L.; Chatwin, Sarah L.; Jazzar, Rodolphe F. R.; Mahon, Mary F.; Saker, Olly; Whittlesey, Michael K.","Stoichiometric and catalytic reactivity of the N-heterocyclic carbene ruthenium hydride complexes [Ru(NHC)(L)(CO)HCl] and [Ru(NHC)(L)(CO)H(η2-BH4)] (L = NHC, PPh3)","Dalton Transactions","2008","","19","2603","2614","10.1039/b719373d","","","0.71073","MoKα","","0.058","0.0399","","","0.0981","0.1075","","","","","","1.041","","","","has coordinates","179741","2020-10-21","18:00:00",""
"7003759","18.55","0.0001","10.865","0.0001","21.129","0.0002","90","","108.646","0.001","90","","4034.94","0.06","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C44 H49 Cl N4 O2 Ru -","- C44 H49 Cl N4 O2 Ru -","- C176 H196 Cl4 N16 O8 Ru4 -","4","1","","Chantler, Victoria L.; Chatwin, Sarah L.; Jazzar, Rodolphe F. R.; Mahon, Mary F.; Saker, Olly; Whittlesey, Michael K.","Stoichiometric and catalytic reactivity of the N-heterocyclic carbene ruthenium hydride complexes [Ru(NHC)(L)(CO)HCl] and [Ru(NHC)(L)(CO)H(η2-BH4)] (L = NHC, PPh3)","Dalton Transactions","2008","","19","2603","2614","10.1039/b719373d","","","0.71073","MoKα","","0.0518","0.0391","","","0.0792","0.0829","","","","","","1.086","","","","has coordinates,has disorder","179741","2020-10-21","18:00:00",""
"7003764","15.175","0.0002","14.043","0.0002","17.277","0.0002","90","","100.837","0.001","90","","3616.11","0.08","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C41 H40.9 Cl0.1 N2 O2 P Ru -","- C41 H40.9 Cl0.1 N2 O2 P Ru -","- C164 H163.6 Cl0.4 N8 O8 P4 Ru4 -","4","1","","Chantler, Victoria L.; Chatwin, Sarah L.; Jazzar, Rodolphe F. R.; Mahon, Mary F.; Saker, Olly; Whittlesey, Michael K.","Stoichiometric and catalytic reactivity of the N-heterocyclic carbene ruthenium hydride complexes [Ru(NHC)(L)(CO)HCl] and [Ru(NHC)(L)(CO)H(η2-BH4)] (L = NHC, PPh3)","Dalton Transactions","2008","","19","2603","2614","10.1039/b719373d","","","0.71073","MoKα","","0.0466","0.0326","","","0.0742","0.0814","","","","","","1.053","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7003827","11.1742","0.0007","21.3708","0.0015","18.4941","0.0011","90","","101.717","0.0017","90","","4324.4","0.5","123.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C40 H38 Co F12 N6 O4 -","- C40 H38 Co F12 N6 O4 -","- C160 H152 Co4 F48 N24 O16 -","4","1","","Karasawa, Satoru; Yoshihara, Daisuke; Watanabe, Natsuki; Nakano, Motohiro; Koga, Noboru","Formation of monometallic single-molecule magnets with an Stotal value of 3/2 in diluted frozen solution","Dalton Transactions","2008","","11","1418","1420","10.1039/b800087p","","","0.71075","MoKα","","","0.0761","","","","0.182","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7004176","17.7878","0.0014","12.3618","0.0017","18.402","0.002","90","","117.595","0.007","90","","3586.1","0.7","293.1","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C31 H50 F3 Ir2 N O3 P2 S -","- C31 H48 F3 Ir2 N O3 P2 S -","- C124 H192 F12 Ir8 N4 O12 P8 S4 -","4","1","","Takahashi, Yoshinori; Nonogawa, Mitsuru; Fujita, Ken-ichi; Yamaguchi, Ryohei","C‒H activation on a diphosphine and hydrido-bridged diiridium complex: generation and detection of an active IrII‒IrII species [(Cp*Ir)2(μ-dmpm)(μ-H)]+","Dalton Transactions","2008","","27","3546","3552","10.1039/b803626h","","","0.71069","MoKα","","","0.0426","","","","0.0598","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7004186","11.0596","0.0013","10.4096","0.0011","14.4704","0.0016","90","","107.112","0.01","90","","1592.2","0.3","100","","100","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H19 Cu N O11 -","- C12 H15 Cu N O11 -","- C48 H60 Cu4 N4 O44 -","4","1","","Stylianou, Marios; Drouza, Chryssoula; Viskadourakis, Zacharias; Giapintzakis, John; Keramidas, Anastasios D.","Synthesis, structure, magnetic properties and aqueous solution characterization of p-hydroquinone and phenol iminodiacetate copper(ii) complexes","Dalton Transactions","2008","","44","6188","6204","10.1039/b803854f","","","0.71073","MoKα","","0.0776","0.0435","","","0.1152","0.1204","","","","","","0.888","","","","has coordinates","179745","2020-10-21","18:00:00",""
"7004187","11.4039","0.0008","7.0659","0.0004","12.9051","0.0008","90","","109.217","0.006","90","","981.93","0.11","100","","100","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H8 Cu N O6 -","- C8 H8 Cu N O6 -","- C32 H32 Cu4 N4 O24 -","4","1","","Stylianou, Marios; Drouza, Chryssoula; Viskadourakis, Zacharias; Giapintzakis, John; Keramidas, Anastasios D.","Synthesis, structure, magnetic properties and aqueous solution characterization of p-hydroquinone and phenol iminodiacetate copper(ii) complexes","Dalton Transactions","2008","","44","6188","6204","10.1039/b803854f","","","0.71073","MoKα","","0.0421","0.03","","","0.101","0.1058","","","","","","1.19","","","","has coordinates","179745","2020-10-21","18:00:00",""
"7004192","10.629","0.012","16.71","0.03","11.39","0.02","90","","111.76","0.13","90","","1879","5","100","","100","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H25 Cu N2 O7 -","- C18 H25 Cu N2 O7 -","- C72 H100 Cu4 N8 O28 -","4","1","","Stylianou, Marios; Drouza, Chryssoula; Viskadourakis, Zacharias; Giapintzakis, John; Keramidas, Anastasios D.","Synthesis, structure, magnetic properties and aqueous solution characterization of p-hydroquinone and phenol iminodiacetate copper(ii) complexes","Dalton Transactions","2008","","44","6188","6204","10.1039/b803854f","","","0.71073","MoKα","","0.0795","0.0605","","","0.1837","0.2152","","","","","","1.198","","","","has coordinates","179745","2020-10-21","18:00:00",""
"7004199","15.5625","0.0007","11.9084","0.0013","15.895","0.002","90","","118.376","0.003","90","","2591.8","0.5","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C17 H41 Au Cl I N4 P2 -","- C17 H41 Au Cl I N4 P2 -","- C68 H164 Au4 Cl4 I4 N16 P8 -","4","1","","Suresh, D.; Balakrishna, Maravanji S.; Rathinasamy, Krishnan; Panda, Dulal; Mobin, Shaikh M.","Water-soluble cyclodiphosphazanes: synthesis, gold(i) metal complexes and their in vitro antitumor studies","Dalton Transactions","2008","","21","2812","2814","10.1039/b804026p","","","0.71073","MoKα","","0.0485","0.0432","","","0.1198","0.1229","","","","","","1.071","","","","has coordinates","179745","2020-10-21","18:00:00",""
"7004243","9.4107","0.0005","12.8145","0.0006","14.1706","0.0008","90","","95.681","0.002","90","","1700.49","0.15","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H23 Hg N S2 -","- C15 H23 Hg N S2 -","- C60 H92 Hg4 N4 S8 -","4","1","","Singh, Nanhai; Kumar, Abhinav; Molloy, Kieran C.; Mahon, Mary F.","Syntheses, crystal and molecular structures, and properties of some new phenylmercury(ii) dithiolate complexes","Dalton Transactions","2008","","37","4999","5007","10.1039/b804635b","","","0.71073","MoKα","","0.0784","0.0432","","","0.0911","0.104","","","","","","1.022","","","","has coordinates","179746","2020-10-21","18:00:00",""
"7004594","13.479","0.014","10.091","0.012","14.314","0.014","90","","108.57","0.01","90","","1846","3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H26.5 Cl I N4 O2.25 -","- C14 H26 Cl I N4 O2.25 -","- C56 H104 Cl4 I4 N16 O9 -","4","1","","Lima, Luís M. P.; Delgado, Rita; Drew, Michael G. B.; Brandão, Paula; Félix, Vítor","Cyclam derivatives containing three acetate pendant arms: synthesis, acid‒base, metal complexation and structural studies","Dalton Transactions","2008","","46","6593","6608","10.1039/b809100e","","","0.71073","MoKα","","0.0853","0.0684","","","0.1437","0.1508","","","","","","1.208","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7004601","14.977","0.001","13.719","0.001","16.201","0.001","90","","96.031","0.01","90","","3310.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H30 Fe Mn N10 O4 -","- C32 H26 Fe Mn N10 O4 -","- C128 H104 Fe4 Mn4 N40 O16 -","4","1","","Visinescu, Diana; Toma, Luminita Marilena; Lloret, Francesc; Fabelo, Oscar; Ruiz-Pérez, Catalina; Julve, Miguel","[MIII(bpym)(CN)4]−: a suitable building block to design ferrimagnetic cyano-bridged heterobimetallic chains (M = Fe, Cr; bpym = 2,2′-bypyrimidine)","Dalton Transactions","2008","","31","4103","4105","10.1039/b809160a","","x-ray","0.71073","Mokα","","0.0759","0.0558","","","0.1527","0.177","","","","","","1.24","","","","has coordinates","179750","2020-10-21","18:00:00",""
"7004602","15.1261","0.001","13.8609","0.0014","16.2413","0.0019","90","","96.761","0.008","90","","3381.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H30 Cr Mn N10 O4 -","- C32 H28 Cr Mn N10 O4 -","- C128 H112 Cr4 Mn4 N40 O16 -","4","1","","Visinescu, Diana; Toma, Luminita Marilena; Lloret, Francesc; Fabelo, Oscar; Ruiz-Pérez, Catalina; Julve, Miguel","[MIII(bpym)(CN)4]−: a suitable building block to design ferrimagnetic cyano-bridged heterobimetallic chains (M = Fe, Cr; bpym = 2,2′-bypyrimidine)","Dalton Transactions","2008","","31","4103","4105","10.1039/b809160a","","x-ray","0.71073","Mokα","","0.1009","0.0535","","","0.1098","0.1275","","","","","","1.039","","","","has coordinates","179750","2020-10-21","18:00:00",""
"7004603","22.1651","0.001","11.7056","0.0004","21.9561","0.0008","90","","108.646","0.002","90","","5397.6","0.4","100","2","100","2","","","","","","","synthesis","8","P 1 21/a 1","-P 2yab","14","","","","- C47 H58 F12 N2 O3 P3 Ru Sb2 -","- C47 H58 F12 N2 O3 P3 Ru Sb2 -","- C188 H232 F48 N8 O12 P12 Ru4 Sb8 -","4","1","","Cadierno, Victorio; Díez, Josefina; García-Álvarez, Joaquín; Gimeno, José; Rubio-García, Javier","Novel ruthenium(ii) complexes containing the N-phosphorylated iminophosphorane-phosphine ligand Ph2PCH2P{NP(O)(OEt)2}Ph2: a new coordination mode of its methanide anion","Dalton Transactions","2008","","42","5737","5748","10.1039/b809166h","","","1.5418","CuKα","","0.1231","0.084","","","0.1943","0.2137","","","","","","1.045","","","","has coordinates,has disorder","179750","2020-10-21","18:00:00",""
"7004656","19.6502","0.0011","10.9433","0.0005","33.44","0.002","90","","104.928","0.007","90","","6948.2","0.7","295","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C67 H90 Cl6 N8 O2 Ru2 -","- C33.5 H45 Cl3 N4 O Ru -","- C268 H360 Cl24 N32 O8 Ru8 -","8","2","","Balof, Shawna L.; P'Pool, Steven J.; Berger, Nancy J.; Valente, Edward J.; Shiller, Alan M.; Schanz, Hans-Jörg","Olefin metathesis catalysts bearing a pH-responsive NHC ligand: a feasible approach to catalyst separation from RCM products","Dalton Transactions","2008","","42","5791","5799","10.1039/b809793c","","","0.71073","MoKα","","0.2249","0.0858","","","0.1347","0.1589","","","","","","0.99","","","","has coordinates","179750","2020-10-21","18:00:00",""
"7004751","16.8777","0.0002","20.662","0.0002","20.1043","0.0002","90","","90.4207","0.0006","90","","7010.72","0.13","173","","173","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C84.6 H66.9 B2 Br N7.3 Ru S -","- C84.6 H66.9 B2 Br N7.3 Ru S -","- C338.4 H267.6 B8 Br4 N29.2 Ru4 S4 -","4","1","","Constable, Edwin C.; Figgemeier, Egbert; Housecroft, Catherine E.; Kokatam, Swarna Latha; Medlycott, Elaine A.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Wiring terpyridine: approaches to alkynylthienyl 2,2′:6′,2″-terpyridines","Dalton Transactions","2008","","47","6752","6762","10.1039/b811747k","","","0.71073","MoKα","","0.0589","0.0353","","0.0491","0.0407","0.0407","","","","","","1.0119","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7004776","13.9765","0.0012","9.9155","0.0006","33.885","0.003","90","","97.039","0.01","90","","4660.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H24.5 I3 N4.5 Pd -","- C15 H24.5 I3 N4.5 Pd -","- C120 H196 I24 N36 Pd8 -","8","2","","Heckenroth, Marion; Kluser, Evelyne; Neels, Antonia; Albrecht, Martin","Palladation of diimidazolium salts at the C4 position: access to remarkably electron-rich palladium(ii) centers","Dalton Transactions","2008","","44","6242","6249","10.1039/b812405a","","","0.71073","MoKα","","0.053","0.0327","","","0.0819","0.0989","","","","","","0.909","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7004857","10.924","0.005","15.016","0.005","13.904","0.005","90","","90.129","0.017","90","","2280.7","1.5","296","2","296","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","Bis(N,N-dimethyldithiocarbamato)((3- aminopropyl)dimethylphosphine)cobalt(iii) Hexafluorophosphate","Bis(N,N-dimethyldithiocarbamato)((3-aminopropyl)dimethylphosphine)cobalt(III) Hexafluorophosphate","","- C11 H26 Co F6 N3 P2 S4 -","- C11 H26 Co F6 N3 P2 S4 -","- C44 H104 Co4 F24 N12 P8 S16 -","4","1","","Suzuki, Takayoshi; Fujiiwara, Katsuhiro; Takagi, Hideo D.; Kashiwabara, Kazuo","Preparation and characterization of mixed-ligand cobalt(III) complexes containing (3-aminopropyl)dimethylphosphine (pdmp). Conformation of the six-membered pdmp chelate ring.","Dalton transactions (Cambridge, England : 2003)","2007","","3","308","319","10.1039/b612025c","","","0.71075","MoKα","","0.0397","0.0361","","","0.1116","0.1148","","","","","","1.091","","","","has coordinates","179752","2020-10-21","18:00:00",""
"7004875","11.8822","0.0008","25.396","0.002","13.13","0.001","90","","92.2","0.3","90","","3959.2","0.9","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C40 H58 N2 O4 Zn -","- C40 H52 N2 O4 Zn -","- C160 H208 N8 O16 Zn4 -","4","1","","Rotthaus, Olaf; Jarjayes, Olivier; Thomas, Fabrice; Philouze, Christian; Saint-Aman, Eric; Pierre, Jean-Louis","Up to four phenoxyl radicals coordinated to two metal ions in copper and zinc complexes?","Dalton transactions (Cambridge, England : 2003)","2007","","8","889","895","10.1039/b612068g","","","0.71073","MoKα","","0.0624","0.0624","","0.086","","0.086","","","1.842","","","1.842","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7004918","15.8366","0.001","20.3931","0.0015","16.5289","0.001","90","","99.405","0.004","90","","5266.4","0.6","120","2","120","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","bis(1,2-bis(methyltelluromethyl)benzene)silver(i) tetrafluoroborate","bis(1,2-bis(methyltelluromethyl)benzene)silver(I) tetrafluoroborate","","- C20 H28 Ag B F4 Te4 -","- C20 H27.9093 Ag B F4 Te4 -","- C160 H223.274 Ag8 B8 F32 Te32 -","8","2","","Levason, William; Nirwan, Manisha; Ratnani, Raju; Reid, Gillian; Tsoureas, Nikolaos; Webster, Michael","Transition metal complexes with wide-angle dithio-, diseleno- and ditelluroethers: properties and structural systematics.","Dalton transactions (Cambridge, England : 2003)","2007","","4","439","448","10.1039/b613501c","","","0.71073","MoKα","","0.0549","0.0323","","","0.0652","0.0727","","","","","","1.024","","","","has coordinates","179753","2020-10-21","18:00:00",""
"7005006","15.704","0.0005","9.775","0.0003","17.643","0.0005","90","","110.309","0.002","90","","2539.95","0.14","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C14 H34 Fe N4 O8 P4 S2 -","- C14 H31 Fe N4 O8 P4 S2 -","- C56 H124 Fe4 N16 O32 P16 S8 -","4","1","","Burrows, Andrew D.; Dodds, Deborah; Kirk, Andrew S.; Lowe, John P.; Mahon, Mary F.; Warren, John E.; Whittlesey, Michael K.","Substitution and derivatization reactions of a water soluble iron(II) complex containing a self-assembled tetradentate phosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2007","","5","570","580","10.1039/b614726g","","","0.71073","MoKα","","0.0944","0.0472","","","0.0947","0.1118","","","","","","1.029","","","","has coordinates,has disorder","179754","2020-10-21","18:00:00",""
"7005045","7.946","0.002","16.644","0.003","8.775","0.002","90","","95.49","0.02","90","","1155.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H34 Cu N4 O10 -","- C18 H34 Cu N4 O10 -","- C36 H68 Cu2 N8 O20 -","2","0.5","","Silversides, Jon D.; Allan, Cheryll C.; Archibald, Stephen J.","Copper(II) cyclam-based complexes for radiopharmaceutical applications: synthesis and structural analysis.","Dalton transactions (Cambridge, England : 2003)","2007","","9","971","978","10.1039/b615329a","","","0.71073","MoKα","","0.0726","0.0498","","","0.1319","0.1428","","","","","","0.975","","","","has coordinates","179754","2020-10-21","18:00:00",""
"7005057","11.556","0.003","21.132","0.008","24.131","0.011","90","","92.054","0.017","90","","5889","4","171.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C31 H41 N3 Ni O3 -","- C31 H41 N3 Ni O3 -","- C248 H328 N24 Ni8 O24 -","8","2","","Nagataki, Takayuki; Ishii, Kenta; Tachi, Yoshimitsu; Itoh, Shinobu","Ligand effects on Ni(II)-catalysed alkane-hydroxylation with m-CPBA.","Dalton transactions (Cambridge, England : 2003)","2007","","11","1120","1128","10.1039/b615503k","","","0.71075","MoKα","","","0.032","","","","0.0399","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005214","10.301","0.005","22.018","0.009","10.85","0.004","90","","109.34","0.03","90","","2322","1.8","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C23 H23 Cl2 N O Pt S -","- C23 H23 Cl2 N O Pt S -","- C92 H92 Cl8 N4 O4 Pt4 S4 -","4","1","","Capapé, Alejandro; Crespo, Margarita; Granell, Jaume; Font-Bardía, Mercè; Solans, Xavier","A comparative study of the structures and reactivity of cyclometallated platinum compounds of N-benzylidenebenzylamines and cycloplatination of a primary amine.","Dalton transactions (Cambridge, England : 2003)","2007","","20","2030","2039","10.1039/b618128g","","","0.71073","MoKα","","0.041","0.0281","","","0.0724","0.0921","","","","","","1.191","","","","has coordinates","179756","2020-10-21","18:00:00",""
"7005508","18.217","0.002","13.785","0.002","20.778","0.004","90","","99.89","0.01","90","","5140.3","1.4","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H35 B9 O P2 Pt -","- C18 H35 B9 O P2 Pt -","- C144 H280 B72 O8 P16 Pt8 -","8","2","","Macías, Ramón; Bould, Jonathan; Holub, Josef; Kennedy, John D.; Stíbr, Bohumil; Thornton-Pett, Mark","Polyhedral metallaheteroborane chemistry. Synthesis, spectroscopy, structure and dynamics of eleven-vertex {RhNB(9)} and {PtCB(9)} metallaheteroboranes.","Dalton transactions (Cambridge, England : 2003)","2007","","27","2885","2897","10.1039/b702767b","","x-ray","0.71073","MoKα","","0.0362","0.0202","","","0.0488","0.0505","","","","","","0.972","","","","has coordinates","179759","2020-10-21","18:00:00",""
"7005569","25.874","0.0002","12.8859","0.0001","29.9331","0.0003","90","","104.44","","90","","9664.71","0.14","200","2","200","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C99 H76 F18 N12 O5 P3 Rh3 -","- C99 H72 F18 N12 O5 P3 Rh3 -","- C396 H288 F72 N48 O20 P12 Rh12 -","4","1","","Su, Wei Lin; Yu, Yu Cheng; Tseng, Mei Ching; Wang, Shao Pin; Huang, Wen Liang","Photophysical and electrochemical properties of new ortho-metalated complexes of rhodium(III) containing 2,2'-dipyridylketone and 2,2'-dipyridylamine. An experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2007","","31","3440","3449","10.1039/b703216a","","","0.71073","MoKα","","0.0874","0.0551","","","0.1413","0.1607","","","","","","1.053","","","","has coordinates","179759","2020-10-21","18:00:00",""
"7005750","16.018","0.006","21.574","0.007","17.179","0.006","90","","112.419","0.0011","90","","5488","3","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C52 H62 Cl2 Mn2 N8 O11 -","- C52 H60 Cl2 Mn2 N8 O11 -","- C208 H240 Cl8 Mn8 N32 O44 -","4","1","","Mikata, Yuji; So, Haruka; Yamashita, Azusa; Kawamura, Ayano; Mikuriya, Masahiro; Fukui, Kôichi; Ichimura, Akio; Yano, Shigenobu","Quinoline-based tetradendate nitrogen ligands stabilize the bis(micro-oxo) dinuclear manganese(iii,iii) core.","Dalton transactions (Cambridge, England : 2003)","2007","","30","3330","3334","10.1039/b705080a","","","0.7107","MoKα","","0.0934","0.0827","","","0.2164","0.2285","","","","","","1.165","","","","has coordinates","179761","2020-10-21","18:00:00",""
"7006021","13.1375","0.0002","6.6835","0.0001","21.3776","0.0004","90","","101.793","0.001","90","","1837.43","0.05","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H22 Br3 N Ti -","- C16 H22 Br3 N Ti -","- C64 H88 Br12 N4 Ti4 -","4","1","","Allen, Olivia R.; Gott, Andrew L.; Hartley, John A.; Hartley, Janet M.; Knox, Richard J.; McGowan, Patrick C.","Functionalised cyclopentadienyl titanium compounds as potential anticancer drugs.","Dalton transactions (Cambridge, England : 2003)","2007","","43","5082","5090","10.1039/b708283p","","x-ray","0.71073","MoKα","","0.0533","0.0463","","","0.1307","0.1385","","","","","","1.052","","","","has coordinates","179764","2020-10-21","18:00:00",""
"7006115","16.7826","0.0003","9.9148","0.0002","20.8325","0.0004","90","","108.339","0.001","90","","3290.39","0.11","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","sa0613","","","- C31 H33 B4 Cl3 Fe2 O8 -","- C31 H33 B4 Cl3 Fe2 O8 -","- C124 H132 B16 Cl12 Fe8 O32 -","4","1","","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","","0.0814","0.0649","","","0.1297","0.1358","","","","","","1.087","","","","has coordinates,has disorder","179765","2020-10-21","18:00:00",""
"7006200","14.045","0.004","18.43","0.005","22.74","0.006","90","","98.606","0.003","90","","5820","3","193.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C26 H35 Ir N2 O4 S2 Si -","- C26 H35 Ir N2 O4 S2 Si -","- C208 H280 Ir8 N16 O32 S16 Si8 -","8","2","","Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao","Silylenediamido [(CH3)2Si(NTs)2(2-); Ts = p-CH3C6H4SO2] complexes of iridium: synthesis, structures and facile Si-N bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2007","","33","3606","3608","10.1039/b709930b","","","0.7107","MoKα","","","0.0394","","","","0.1302","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006398","6.913","0.001","16.283","0.003","8.594","0.002","90","","105.09","0.02","90","","934","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","catena-(aqua(mu-oxalato)(purine)manganese(ii))","catena-[aqua(mu-oxalato)(purine)manganese(II)]","","- C7 H6 Mn N4 O5 -","- C7 H6 Mn N4 O5 -","- C28 H24 Mn4 N16 O20 -","4","1","","García-Terán, Juan P; Castillo, Oscar; Luque, Antonio; García-Couceiro, Urko; Beobide, Garikoitz; Román, Pascual","Supramolecular architectures assembled by the interaction of purine nucleobases with metal-oxalato frameworks. Non-covalent stabilization of the 7H-adenine tautomer in the solid-state.","Dalton transactions (Cambridge, England : 2003)","2006","","7","902","911","10.1039/b510018f","","","0.71073","MoKα","","0.0634","0.0317","","","0.0511","0.0555","","","","","","1.006","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006710","13.73","0.003","7.9","0.0016","12.78","0.003","90","","103.24","0.03","90","","1349.4","0.5","200","2","200","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H15 N2 S Ti -","- C14 H15 N2 S Ti -","- C56 H60 N8 S4 Ti4 -","4","1","","Hill, Anthony F.; Smith, Matthew K.","Dihydrobis(methimazolyl)borate and methimazolyl complexes of titanium.","Dalton transactions (Cambridge, England : 2003)","2006","","1","28","30","10.1039/b513251g","","","0.71073","MoKα","","0.0711","0.0459","","","0.1144","0.1294","","","","","","1.03","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7007676","17.2378","0.0009","15.4342","0.0007","28.7424","0.0014","90","","102.727","0.001","90","","7459.1","0.6","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","(1,4-bis(diphenylphosphino)propane)(2,9- dimethylphenanthroline) copper(i) (hexafluorophosphate)","(1,4-bis(diphenylphosphino)propane)(2,9-dimethylphenanthroline) copper(I) (hexafluorophosphate)","","- C82 H76 Cu2 F12 N4 P6 -","- C41 H38 Cu F6 N2 P3 -","- C328 H304 Cu8 F48 N16 P24 -","8","2","","Saito, Ken; Arai, Takashi; Takahashi, Naoki; Tsukuda, Toshiaki; Tsubomura, Taro","A series of luminescent Cu(I) mixed-ligand complexes containing 2,9-dimethyl-1,10-phenanthroline and simple diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4444","4448","10.1039/b608641a","","","0.7107","MoKα","","0.0771","0.0668","","","0.1367","0.1423","","","","","","1.22","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007709","13.005","0.003","14.517","0.004","17.229","0.005","90","","90.84","0.02","90","","3252.4","1.5","298","","298","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C26 H36 Br Cl2 N7 O8 Pb -","- C26 H35 Br Cl2 N7 O8 Pb -","- C104 H140 Br4 Cl8 N28 O32 Pb4 -","4","1","","Bazzicalupi, Carla; Bencini, Andrea; Bianchi, Antonio; Borsari, Lucia; Danesi, Andrea; Giorgi, Claudia; Mariani, Palma; Pina, Fernando; Santarelli, Samuele; Valtancoli, Barbara","Coordination features of a terpyridine-containing polyamine receptor. Effect of protonation on the photophysical properties of the complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5743","5752","10.1039/b609462g","","","0.71069","MoKα","","0.2477","0.0523","","","0.0843","0.1148","","","","","","0.633","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007753","15.559","0.004","31.546","0.005","18.352","0.004","90","","103.76","0.03","90","","8749","3","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","mer-tricarbonyl-chloro-bis((5-(4'pyridyl)-10,15,20-triphenyl- porphyrin))‒rhenium(i) bis(diethylether) solvate","mer-tricarbonyl-chloro-bis[(5-(4'pyridyl)-10,15,20-triphenyl-porphyrin)]- -rhenium(I) bis(diethylether) solvate","","- C97 H78 Cl N10 O5 Re -","- C97 H58 Cl N10 O5 Re -","- C388 H232 Cl4 N40 O20 Re4 -","4","1","","Casanova, Massimo; Zangrando, Ennio; Munini, Fabio; Iengo, Elisabetta; Alessio, Enzo","fac-[Re(CO)3(dmso-O)3](CF3SO3): a new versatile and efficient Re(I) precursor for the preparation of mono and polynuclear compounds containing fac-[Re(CO)3]+ fragments.","Dalton transactions (Cambridge, England : 2003)","2006","","42","5033","5045","10.1039/b609853c","","","1","synchrotron","","0.0666","0.0532","","","0.1581","0.1694","","","","","","1.054","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007780","13.771","0.003","21.187","0.012","9.604","0.002","90","","96.8","0.02","90","","2782.4","1.8","298.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C18 H29 Cl5 N2 O2 Pt2 S2 -","- C18 H29 Cl5 N2 O2 Pt2 S2 -","- C72 H116 Cl20 N8 O8 Pt8 S8 -","4","1","","Suzaki, Yuji; Taira, Toshiaki; Osakada, Kohtaro","Irreversible and reversible formation of a [2]rotaxane containing platinum(II) complex with an N-alkyl bipyridinium ligand as the axis component.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5345","5351","10.1039/b610087b","","","0.71069","MoKα","","","0.0538","","","","0.0719","","","","","","0.934","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007784","14.398","0.002","8.274","0.002","17.451","0.004","90","","101.973","0.016","90","","2033.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H27 O P -","- C24 H27 O P -","- C96 H108 O4 P4 -","4","1","","Fey, Natalie; Howell, James A. S.; Lovatt, Jonathan D.; Yates, Paul C.; Cunningham, Desmond; McArdle, Patrick; Gottlieb, Hugo E.; Coles, Simon J.","A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5464","5475","10.1039/b610123b","","","0.71069","MoKα","","0.091","0.0444","","","0.119","0.1342","","","","","","0.971","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007987","14.007","0.006","10.951","0.005","18.099","0.005","90","","101.57","0.03","90","","2719.8","1.9","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Aquobis(6,6'-dimethyl-2,2'-bipyridine)copper(II) perchlorate","","- C24 H26 Cl2 Cu N4 O9 -","- C24 H26 Cl2 Cu N4 O9 -","- C96 H104 Cl8 Cu4 N16 O36 -","4","1","","Itoh, Sumitaka; Kishikawa, Nobuyuki; Suzuki, Takayoshi; Takagi, Hideo D.","Syntheses, structural analyses and redox kinetics of four-coordinate [CuL2]2+ and five-coordinate [CuL2(solvent)]2+ complexes (L = 6,6'-dimethyl-2,2'-bipyridine or 2,9-dimethyl-1,10-phenanthroline): completely gated reduction reaction of [Cu(dmp)2]2+ in nitromethane.","Dalton transactions (Cambridge, England : 2003)","2005","","6","1066","1078","10.1039/b415057k","","","0.71075","MoKα","","0.0829","0.0569","","","0.1321","0.1389","","","","","","1.015","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007990","8.833","0.005","21.684","0.012","12.384","0.007","90","","95.68","0.04","90","","2360","2","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Bis(6,6'-dimethyl-2,2'-bipyridine)copper(I) perchlorate","","- C24 H24 Cl Cu N4 O4 -","- C24 H24 Cl Cu N4 O4 -","- C96 H96 Cl4 Cu4 N16 O16 -","4","1","","Itoh, Sumitaka; Kishikawa, Nobuyuki; Suzuki, Takayoshi; Takagi, Hideo D.","Syntheses, structural analyses and redox kinetics of four-coordinate [CuL2]2+ and five-coordinate [CuL2(solvent)]2+ complexes (L = 6,6'-dimethyl-2,2'-bipyridine or 2,9-dimethyl-1,10-phenanthroline): completely gated reduction reaction of [Cu(dmp)2]2+ in nitromethane.","Dalton transactions (Cambridge, England : 2003)","2005","","6","1066","1078","10.1039/b415057k","","","0.71075","MoKα","","0.0911","0.0606","","","0.0971","0.1038","","","","","","1.001","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7008009","19.641","0.002","10.1468","0.0007","20.1828","0.0004","90","","112.386","0.0005","90","","3719.2","0.5","296.2","","","","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C35 H31 B2 Cl F4 N7 O P Ru -","- C35 H31 B2 Cl F4 N7 O P Ru -","- C140 H124 B8 Cl4 F16 N28 O4 P4 Ru4 -","4","1","","Nishimura, Yoshimasa; Arikawa, Yasuhiro; Inoue, Takanori; Onishi, Masayoshi","Regioselective nucleophilic addition of triphenylphosphine to the nitrosylruthenium alkynyl complexes having a hydrotris(pyrazol-1-yl)borate: formation of phosphonio-alkenyl, alkynyl, and allenyl species.","Dalton transactions (Cambridge, England : 2003)","2005","","5","930","937","10.1039/b415483e","","","0.7107","MoKα","","","0.0319","","","","0.0714","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008217","10.657","0.0002","16.8137","0.0004","17.3033","0.0004","90","","102.159","0.0013","90","","3030.91","0.12","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H42 B16 P2 Pt -","- C17 H42 B16 P2 Pt -","- C68 H168 B64 P8 Pt4 -","4","1","","Bould, Jonathan; Jelínek, Tomás; Barrett, Simon A.; Coles, Simon J.; Hursthouse, Michael B.; Thornton-Pett, Mark; Stíbr, Bohumil; Kennedy, John D.","Macropolyhedral boron-containing cluster chemistry. The reaction of B16H20 and B14H18 with [PtMe2(PMe2Ph)2] to give [(PMe2Ph)2PtB16H17Me] and [(PMe2Ph)2PtB14H16].","Dalton transactions (Cambridge, England : 2003)","2005","","8","1499","1503","10.1039/b419241a","","","0.71073","MoKα","","0.0382","0.032","","","0.0729","0.0757","","","","","","1.117","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008228","13.9822","0.00001","25.7326","0.0002","15.7875","0.00001","90","","108.794","0.0001","90","","5377.46","0.04","160","2","160","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C36 H112 Mn2 Mo16 N24 O68 -","- C36 H72 Mn2 Mo16 N24 O68 -","- C72 H144 Mn4 Mo32 N48 O136 -","2","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","","0.0486","0.0403","","","0.1095","0.1137","","","","","","1.114","","","","has coordinates,has disorder","179786","2020-10-21","18:00:00",""
"7008229","13.835","0.0006","25.742","0.0011","15.815","0.0007","90","","108.594","0.002","90","","5338.4","0.4","160","2","160","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C36 H112 Co2 Mo16 N24 O68 -","- C36 H72 Co2 Mo16 N24 O68 -","- C72 H144 Co4 Mo32 N48 O136 -","2","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","","0.0951","0.0595","","","0.1404","0.1593","","","","","","1.158","","","","has coordinates,has disorder","179786","2020-10-21","18:00:00",""
"7008464","8.189","0.003","23.512","0.009","17.625","0.007","90","","97.054","0.002","90","","3368","2","293.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H35 B N7 Rh Te2 -","- C29 H35 B N7 Rh Te2 -","- C116 H140 B4 N28 Rh4 Te8 -","4","1","","Nagao, Shoken; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi","Preparation of chalcogenolato-bridged dinuclear Tp*Rh-Cp*Ru complexes (Tp*= hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp*=eta(5)-pentamethylcyclopentadienyl) and binding of dioxygen to their Ru sites.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3166","3172","10.1039/b503153m","","","0.7107","MoKα","","","0.05","","","","0.163","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008471","12.985","0.001","7.7217","0.0006","15.383","0.001","90","","92.508","0.007","90","","1540.9","0.2","173","","173","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","disodium ferrocenylphosphonate pentahydrate","disodium ferrocenylphosphonate pentahydrate","","- C10 H19 Fe Na2 O8 P -","- C10 H19 Fe Na2 O8 P -","- C40 H76 Fe4 Na8 O32 P4 -","4","1","","Oms, Olivier; van der Lee, Arie; Le Bideau, Jean; Leclercq, Dominique","Redox-active pH-responsive molecules: ferrocenylphosphonic acid, ferrocenylmethylphosphonic acid and 1,1'-ferrocenylbisphosphonic acid. Structural determination of FcPO3Na2.5H2O.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1903","1909","10.1039/b503193a","","","0.71073","MoKα","","0.0588","0.0328","","0.0373","0.0326","0.0326","","","","","","1.1089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008488","25.252","0.009","15.264","0.005","31.346","0.011","90","","109.418","0.004","90","","11395","7","173","2","173","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C80 H111 Ag7 Au12 N9 O27.5 P10 -","- C80 H110 Ag7 Au12 N9 O27.5 P10 -","- C320 H440 Ag28 Au48 N36 O110 P40 -","4","1","","Nunokawa, Keiko; Ito, Mitsuhiro; Sunahara, Tetsuya; Onaka, Satoru; Ozeki, Tomoji; Chiba, Hirokazu; Funahashi, Yasuhiro; Masuda, Hideki; Yonezawa, Tetsu; Nishihara, Hiroshi; Nakamoto, Masami; Yamamoto, Mari","A new 19-metal-atom cluster [(Me2PhP)10Au12Ag7(NO3)9] with a nearly staggered-staggered M5 ring configuration.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2726","2730","10.1039/b503434e","","","0.71069","MoKα","","0.2077","0.1138","","","0.2228","0.3046","","","","","","1.058","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008987","13.064","0.001","17.607","0.002","15.498","0.002","90","","106.29","0.02","90","","3421.7","0.7","298.2","","298.2","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C30 H43 N O4 P3 Ru S3 -","- C30 H43 N O4 P3 Ru S3 -","- C120 H172 N4 O16 P12 Ru4 S12 -","4","1","","Leung, Wa-Hung; Zheng, Hegen; Chim, Joyce L. C.; Chan, Joe; Wong, Wing-Tak; Williams, Ian D.","Ruthenium complexes with N(SPR2)2− (R = Ph or Pri)","Journal of the Chemical Society, Dalton Transactions","2000","","3","423","","10.1039/a907753g","","","0.7107","MoKalpha","","","0.0593","","","0.0627","","","","","2.015","2.015","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009011","8.2508","0.0008","24.949","0.005","14.224","0.006","90","","97.59","0.02","90","","2902.3","1.4","273.2","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H27 I5 O7 -","- C20 H24 I5 O7 -","- C80 H96 I20 O28 -","4","1","","Kloo, Lars; Svensson, Per H.; Taylor, Michael J.","Investigations of the polyiodides H3O·Ix (x = 3, 5 or 7) as dibenzo-18-crown-6 complexes","Journal of the Chemical Society, Dalton Transactions","2000","","7","1061","","10.1039/a908053h","","","0.7107","MoKalpha","","","0.039","","","0.0374","","","","","1.559","1.559","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7009125","12.2952","0.0014","13.9137","0.0015","11.6072","0.0014","90","","107.072","0.01","90","","1898.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H52 N4 S12 W2 -","- C24 H48 N4 S12 W2 -","- C48 H96 N8 S24 W4 -","2","0.5","","Davies, Sian C.; Hughes, David L.; Richards, Raymond L.; Sanders, J. Roger","Molybdenum and tungsten complexes of the N(CH2CH2S)33− (NS3) ligand with oxide, sulfide, diazenide, hydrazide and nitrosyl co-ligands","Journal of the Chemical Society, Dalton Transactions","2000","","5","719","","10.1039/a908777j","","","0.71069","MoKα","","0.0714","0.0478","","0.1304","0.1126","","","","1","1.043","1.043","","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7009247","19.103","0.005","14.8","0.002","21.34","0.002","90","","113.253","0.003","90","","5543.3","1.7","213","2","213","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","compound 5b(Ni)","","","- C39 H66 Cl2 Co2 Ni2 O20 P6 -","- C39 H48 Cl2 Co2 Ni2 O20 P6 -","- C156 H192 Cl8 Co8 Ni8 O80 P24 -","4","1","","De-qiang Ma; Shiro Hikichi; Munetaka Akita; Yoshihiko Moro-oka","An entry to half-sandwich complexes of first row transition metals (Ni, Co, Mn) containing the Kläui tripodal ligand, LOMe: synthesis and crystal structures of oligomeric, [LOMeM(μ-X)(L)]n (n = 2, 4), and monomeric complexes, LOMeM(L2)(X)","J. Chem. Soc., Dalton Trans.","2000","","7","1123","1134","10.1039/a909580b","","","0.7107","MoKα","","0.064","0.0591","","","0.1703","0.174","","","","","","1.419","","","","has coordinates","179796","2020-10-21","18:00:00",""
"7009248","19.005","0.007","14.9328","0.0016","21.355","0.003","90","","113.004","0.016","90","","5579","2","213","2","213","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","compound 5b(Co)","","","- C39 H66 Cl2 Co4 O20 P6 -","- C39 H48 Cl2 Co4 O20 P6 -","- C156 H192 Cl8 Co16 O80 P24 -","4","1","","De-qiang Ma; Shiro Hikichi; Munetaka Akita; Yoshihiko Moro-oka","An entry to half-sandwich complexes of first row transition metals (Ni, Co, Mn) containing the Kläui tripodal ligand, LOMe: synthesis and crystal structures of oligomeric, [LOMeM(μ-X)(L)]n (n = 2, 4), and monomeric complexes, LOMeM(L2)(X)","J. Chem. Soc., Dalton Trans.","2000","","7","1123","1134","10.1039/a909580b","","","0.7107","MoKα","","0.078","0.076","","","0.2061","0.208","","","","","","1.816","","","","has coordinates","179796","2020-10-21","18:00:00",""
"7009249","18.968","0.003","15.162","0.008","21.543","0.005","90","","113.058","0.014","90","","5701","3","213","2","213","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","compound 5b(Mn)","","","- C39 H66 Cl2 Co2 Mn2 O20 P6 -","- C39 H48 Cl2 Co2 Mn2 O20 P6 -","- C156 H192 Cl8 Co8 Mn8 O80 P24 -","4","1","","De-qiang Ma; Shiro Hikichi; Munetaka Akita; Yoshihiko Moro-oka","An entry to half-sandwich complexes of first row transition metals (Ni, Co, Mn) containing the Kläui tripodal ligand, LOMe: synthesis and crystal structures of oligomeric, [LOMeM(μ-X)(L)]n (n = 2, 4), and monomeric complexes, LOMeM(L2)(X)","J. Chem. Soc., Dalton Trans.","2000","","7","1123","1134","10.1039/a909580b","","","0.7107","MoKα","","0.0885","0.0784","","","0.2068","0.2146","","","","","","1.599","","","","has coordinates","179796","2020-10-21","18:00:00",""
"7009251","9.2507","0.0014","28.276","0.008","12.14","0.002","90","","100.241","0.009","90","","3124.9","1.1","213","2","213","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","compound 6e(Ni)","","","- C42 H66 Co2 F10 Ni2 O24 P6 -","- C42 H46 Co2 F10 Ni2 O24 P6 -","- C84 H92 Co4 F20 Ni4 O48 P12 -","2","0.5","","De-qiang Ma; Shiro Hikichi; Munetaka Akita; Yoshihiko Moro-oka","An entry to half-sandwich complexes of first row transition metals (Ni, Co, Mn) containing the Kläui tripodal ligand, LOMe: synthesis and crystal structures of oligomeric, [LOMeM(μ-X)(L)]n (n = 2, 4), and monomeric complexes, LOMeM(L2)(X)","J. Chem. Soc., Dalton Trans.","2000","","7","1123","1134","10.1039/a909580b","","","0.7107","MoKα","","0.094","0.0894","","","0.2336","0.2371","","","","","","2.101","","","","has coordinates","179796","2020-10-21","18:00:00",""
"7009255","13.959","0.007","11.083","0.004","19.026","0.003","90","","109.61","0.02","90","","2772.7","1.8","213","2","213","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","compound 10","","","- C21 H31 Co N5 Ni O9 P3 -","- C21 H26 Co N5 Ni O9 P3 -","- C84 H104 Co4 N20 Ni4 O36 P12 -","4","1","","De-qiang Ma; Shiro Hikichi; Munetaka Akita; Yoshihiko Moro-oka","An entry to half-sandwich complexes of first row transition metals (Ni, Co, Mn) containing the Kläui tripodal ligand, LOMe: synthesis and crystal structures of oligomeric, [LOMeM(μ-X)(L)]n (n = 2, 4), and monomeric complexes, LOMeM(L2)(X)","J. Chem. Soc., Dalton Trans.","2000","","7","1123","1134","10.1039/a909580b","","","0.7107","MoKα","","0.0647","0.0624","","0.1737","0.1716","","","","1.487","1.509","1.509","","","","","has coordinates","179796","2020-10-21","18:00:00",""
"7009287","9.42","0.004","9.016","0.003","12.258","0.002","90","","94.88","0.03","90","","1037.3","0.6","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Al Cs2 O10 P3 -","- Al Cs2 O10 P3 -","- Al4 Cs8 O40 P12 -","4","1","","Devi, R. Nandini; Vidyasagar, K.","Synthesis and characterisation of novel layered compounds, Cs2MP3O10 (M = Al or Ga), containing triphosphate groups †","Journal of the Chemical Society, Dalton Transactions","2000","","10","1605","","10.1039/a909753h","","","0.71073","MoKα","","0.0451","0.032","","0.1892","0.0777","","","","1.233","1.118","1.118","","","","","has coordinates","179796","2020-10-21","18:00:00",""
"7009288","9.494","0.006","9.016","0.009","12.29","0.032","90","","94.97","0.18","90","","1048","3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Cs2 Ga O10 P3 -","- Cs2 Ga O10 P3 -","- Cs8 Ga4 O40 P12 -","4","1","","Devi, R. Nandini; Vidyasagar, K.","Synthesis and characterisation of novel layered compounds, Cs2MP3O10 (M = Al or Ga), containing triphosphate groups †","Journal of the Chemical Society, Dalton Transactions","2000","","10","1605","","10.1039/a909753h","","","0.71073","MoKα","","0.0594","0.0471","","0.1369","0.1282","","","","1.021","1.092","1.092","","","","","has coordinates","179796","2020-10-21","18:00:00",""
"7009297","11.402","0.007","16.919","0.005","11.893","0.006","90","","99.23","0.04","90","","2264.6","1.9","150","","150","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H18 Bi Cl3 Se3 -","- C8 H18 Bi Cl3 Se3 -","- C32 H72 Bi4 Cl12 Se12 -","4","1","","Barton, Andrew J.; Genge, Anthony R. J.; Levason, William; Reid, Gillian","Synthesis and structures of bismuth(III) complexes involving thio- and seleno-ether ligands","Journal of the Chemical Society, Dalton Transactions","2000","","6","859","","10.1039/a909803h","","","0.71073","MoKalpha","","","0.0598","","","0.0877","","","","","2.568","2.568","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009350","15.727","0.004","13.366","0.003","21.707","0.002","90","","98.32","0.01","90","","4514.9","1.6","296.2","","296.2","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C35 H50 F12 N4 O P2 Rh2 S2 -","- C35 H30 F12 N4 O P2 Rh2 S2 -","- C140 H120 F48 N16 O4 P8 Rh8 S8 -","4","1","","Yamanari, Kazuaki; Fukuda, Ito; Yamamoto, Shiori; Kushi, Yoshihiko; Fuyuhiro, Akira; Kubota, Naoko; Fukuo, Tsuyoshi; Arakawa, Ryuichi","Structural difference due to intramolecular stacking interactions in dinuclear rhodium(III) complexes [{Rh(η5-C5Me5)(L)}2]n+ containing pyrimidine-2-thionate and related ligands","Journal of the Chemical Society, Dalton Transactions","2000","","13","2131","","10.1039/b000098l","","","0.7107","MoKα","","0.0523","0.0523","","","0.0691","0.0691","","","","","","2.184","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009351","15.164","0.003","12.762","0.004","21.467","0.003","90","","108.04","0.01","90","","3950.1","1.6","296.2","","296.2","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C30 H40 Cl2 N4 O8 Rh2 S2 -","- C30 H30 Cl2 N4 O8 Rh2 S2 -","- C120 H120 Cl8 N16 O32 Rh8 S8 -","4","1","","Yamanari, Kazuaki; Fukuda, Ito; Yamamoto, Shiori; Kushi, Yoshihiko; Fuyuhiro, Akira; Kubota, Naoko; Fukuo, Tsuyoshi; Arakawa, Ryuichi","Structural difference due to intramolecular stacking interactions in dinuclear rhodium(III) complexes [{Rh(η5-C5Me5)(L)}2]n+ containing pyrimidine-2-thionate and related ligands","Journal of the Chemical Society, Dalton Transactions","2000","","13","2131","","10.1039/b000098l","","","0.7107","MoKα","","0.053","0.053","","","0.0701","0.0701","","","","","","2.115","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009355","9.097","0.002","18.277","0.002","11.562","0.002","90","","109.01","0.02","90","","1817.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H19 Br N2 O7 U -","- C14 H19 Br N2 O7 U -","- C56 H76 Br4 N8 O28 U4 -","4","1","","Venkateswara Rao, P.; Rao, Chebrolu P.; Sreedhara, Alavattam; Wegelius, Elina K.; Rissanen, Kari; Kolehmainen, Erkki","Synthesis, structure and reactivity of trans-UO22+ complexes of OH-containing ligands †","Journal of the Chemical Society, Dalton Transactions","2000","","7","1213","","10.1039/b000142m","","","0.71073","MoKα","","0.036","0.0294","","0.0705","0.0698","","","","0.947","1.075","1.075","","","","","has coordinates","179797","2020-10-21","18:00:00",""
"7009356","7.534","0.002","17.011","0.007","13.069","0.004","90","","97.11","0.02","90","","1662.1","1","180","2","180","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C13 H21 N O5 S U -","- C13 H21 N O5 S U -","- C52 H84 N4 O20 S4 U4 -","4","1","","Venkateswara Rao, P.; Rao, Chebrolu P.; Sreedhara, Alavattam; Wegelius, Elina K.; Rissanen, Kari; Kolehmainen, Erkki","Synthesis, structure and reactivity of trans-UO22+ complexes of OH-containing ligands †","Journal of the Chemical Society, Dalton Transactions","2000","","7","1213","","10.1039/b000142m","","","0.71073","MoKα","","0.077","0.0568","","0.1538","0.144","","","","0.956","1.04","1.04","","","","","has coordinates","179797","2020-10-21","18:00:00",""
"7009419","15.975","0.001","16.982","0.001","20.326","0.001","90","","93.4","0.01","90","","5504.5","0.5","173","2","173","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C56.5 H47.5 B2 F8 N8.5 O6 Ru -","- C56.5 H45.5 B2 F8 N8.5 O5.995 Ru -","- C226 H182 B8 F32 N34 O23.98 Ru4 -","4","1","","Alcock, Nathaniel W.; Barker, Philip R.; Haider, Johanna M.; Hannon, Michael J.; Painting, Claire L.; Pikramenou, Zoe; Plummer, Edward A.; Rissanen, Kari; Saarenketo, Pauli","Red and blue luminescent metallo-supramolecular coordination polymers assembled through π‒π interactions †","Journal of the Chemical Society, Dalton Transactions","2000","","9","1447","","10.1039/b000871k","","","0.71073","MoKα","","0.0784","0.0586","","","0.1566","0.1667","","","","","","1.069","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7009461","26.484","0.007","11.022","0.005","27.76","0.005","90","","107.93","0.01","90","","7710","4","296.2","","296.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C93 H93 B2 Cl Ir2 P2 -","- C93 H92 B2 Cl Ir2 P2 -","- C372 H368 B8 Cl4 Ir8 P8 -","4","1","","Fujita, Ken-ichi; Hamada, Taro; Yamaguchi, Ryohei","dppm and hydrido-bridged dinuclear complexes of iridium. Synthesis and structures of [(IrCp*)2(μ-dppm)(μ-H)(μ-X)]2+ (X = Cl, OMe, OH, or H)","Journal of the Chemical Society, Dalton Transactions","2000","","12","1931","","10.1039/b001239o","","","0.7107","MoKα","","0.0579","0.058","","0.061","","0.061","","","1.958","","","1.96","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009462","26.481","0.009","11.13","0.01","27.771","0.009","90","","107.96","0.03","90","","7786","8","291.2","","291.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C94 H96 B2 Ir2 O P2 -","- C94 H95 B2 Ir2 O P2 -","- C376 H380 B8 Ir8 O4 P8 -","4","1","","Fujita, Ken-ichi; Hamada, Taro; Yamaguchi, Ryohei","dppm and hydrido-bridged dinuclear complexes of iridium. Synthesis and structures of [(IrCp*)2(μ-dppm)(μ-H)(μ-X)]2+ (X = Cl, OMe, OH, or H)","Journal of the Chemical Society, Dalton Transactions","2000","","12","1931","","10.1039/b001239o","","","0.7107","MoKα","","0.0399","0.04","","0.037","","0.037","","","1.277","","","1.28","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009463","26.435","0.002","10.988","0.003","27.771","0.002","90","","108.701","0.005","90","","7641","2","291.2","","291.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C93 H94 B2 Ir2 O P2 -","- C93 H93 B2 Ir2 O P2 -","- C372 H372 B8 Ir8 O4 P8 -","4","1","","Fujita, Ken-ichi; Hamada, Taro; Yamaguchi, Ryohei","dppm and hydrido-bridged dinuclear complexes of iridium. Synthesis and structures of [(IrCp*)2(μ-dppm)(μ-H)(μ-X)]2+ (X = Cl, OMe, OH, or H)","Journal of the Chemical Society, Dalton Transactions","2000","","12","1931","","10.1039/b001239o","","","0.7107","MoKα","","0.0491","0.049","","0.056","","0.056","","","1.764","","","1.76","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009464","26.362","0.006","11.023","0.008","27.701","0.008","90","","108.5","0.02","90","","7634","6","296.2","","296.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C93 H94 B2 Ir2 P2 -","- C93 H94 B2 Ir2 P2 -","- C372 H376 B8 Ir8 P8 -","4","1","","Fujita, Ken-ichi; Hamada, Taro; Yamaguchi, Ryohei","dppm and hydrido-bridged dinuclear complexes of iridium. Synthesis and structures of [(IrCp*)2(μ-dppm)(μ-H)(μ-X)]2+ (X = Cl, OMe, OH, or H)","Journal of the Chemical Society, Dalton Transactions","2000","","12","1931","","10.1039/b001239o","","","0.7107","MoKα","","0.062","0.062","","0.071","","0.071","","","2.1","","","2.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009514","12.63","0.004","12.017","0.002","14.817","0.004","90","","114.68","0.01","90","","2043.4","0.9","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H27 N2 O2 Re S3 -","- C14 H27 N2 O2 Re S3 -","- C56 H108 N8 O8 Re4 S12 -","4","1","","Friebe, Matthias; Spies, Hartmut; Seichter, Wilhelm; Leibnitz, Peter; Johannsen, Bernd","Neutral '3 + 1' mixed-ligand oxorhenium(V) complexes with tridentate [S,N,S] chelates and aminoalkanethiols: synthesis, characterization and structure determination ‡","Journal of the Chemical Society, Dalton Transactions","2000","","14","2471","","10.1039/b001600o","","","0.71073","MoKα","","0.083","0.0695","","0.1853","0.1714","","","","1.071","1.11","1.11","","","","","has coordinates","179799","2020-10-21","18:00:00",""
"7009617","13.519","0.003","14.205","0.007","15.858","0.003","90","","101.188","0.017","90","","2987.5","1.7","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C22 H30 Cl2 F8 N2 Ni2 P2 -","- C22 H30 Cl2 F8 N2 Ni2 P2 -","- C88 H120 Cl8 F32 N8 Ni8 P8 -","4","1","","Archibald, Stephen J.; Braun, Thomas; Gaunt, Joseph A.; Hobson, James E.; Perutz, Robin N.","Chemistry of nickel tetrafluoropyridyl derivatives: their versatile behaviour with Brønsted acids and the Lewis acid BF3 †","Journal of the Chemical Society, Dalton Transactions","2000","","13","2013","","10.1039/b002333g","","","0.71069","MoKα","","0.0963","0.0379","","","0.0915","0.1145","","","","","","0.999","","","","has coordinates","179800","2020-10-21","18:00:00",""
"7009677","12.63","0.004","19.034","0.004","12.745","0.004","90","","95.75","0.02","90","","3048.5","1.5","296.2","","296.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C24 H30 Cl2 Co F6 P5 -","- C24 H30 Cl2 Co F6 P5 -","- C96 H120 Cl8 Co4 F24 P20 -","4","1","","Chatterjee, Swarup; Doyle, Roy; Hockless, David C. R.; Salem, Geoffrey; Willis, Anthony C.","Completely stereoselective synthesis of a chiral tetra(tertiary phosphine). Crystal and molecular structure of [OC-6-22-(R*,R*)]-(±)-dichloro{1,2-bis[(2-dimethylphosphinophenyl)methylphosphino]benzene-P,P ',P ″,P ‴}cobalt(III) hexafluorophosphate †","Journal of the Chemical Society, Dalton Transactions","2000","","12","1829","","10.1039/b002662j","","","0.7107","MoKα","","0.1038","0.0448","","0.0518","","0.0461","","","1.6","","","1.887","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009823","13.289","0.001","21.226","0.002","18.002","0.002","90","","101.5","0.02","90","","4975.9","0.9","298.2","","298.2","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C49 H42 Cl2 N2 O2 Os P4 S4 -","- C49 H42 Cl2 N2 O2 Os P4 S4 -","- C196 H168 Cl8 N8 O8 Os4 P16 S16 -","4","1","","Zhang, Qian-Feng; Lau, Kwok-Kin; Chim, Joyce L. C.; Wong, Terry K. T.; Wong, Wing-Tak; Williams, Ian D.; Leung, Wa-Hung","Dioxo- and nitrido-osmium complexes with imidodiphosphinochalcogenido ligands [N(QPR2)2]− (Q = S or Se; R = Ph or Pri)","Journal of the Chemical Society, Dalton Transactions","2000","","17","3027","","10.1039/b003798m","","","0.7107","MoKalpha","","","0.0291","","","0.0363","","","","","2.155","2.155","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009877","13.474","0.003","18.692","0.002","10.155","0.003","90","","107.78","0.01","90","","2435.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C56 H56 N2 O2 P4 Re -","- C56 H56 N2 O2 P4 Re -","- C112 H112 N4 O4 P8 Re2 -","2","0.5","","Carvalho, M. Fernanda N. N.; Galvão, Adelino M.; Pombeiro, Armando J. L.","Proton addition and hydrogen-bond formation in reactions of the dicyano-complex [NBu4][trans-Re(CN)2(dppe)2] with protic reagents","Journal of the Chemical Society, Dalton Transactions","2000","","19","3393","","10.1039/b004189k","","","0.71069","MoKα","","0.1796","0.0803","","0.169","0.1172","","","","1.173","1.144","1.144","","","","","has coordinates","179802","2020-10-21","18:00:00",""
"7009895","19.664","0.011","8.005","0.005","26.158","0.016","90","","95.63","0.05","90","","4098","4","203","2","203","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C41 H46 B2 N6 O2 W -","- C41 H43 B2 N6 O2 W -","- C164 H172 B8 N24 O8 W4 -","4","1","","Wadepohl, Hubert; Arnold, Ulrich; Kohl, Ute; Pritzkow, Hans; Wolf, Andreas","Hydroboration of metal‒carbon triple bonds †","Journal of the Chemical Society, Dalton Transactions","2000","","20","3554","","10.1039/b004256k","","","0.7107","MoKα","","0.1228","0.0584","","","0.1202","0.1411","","","","","","1.009","","","","has coordinates","179802","2020-10-21","18:00:00",""
"7009978","15.299","0.007","14.826","0.007","19.505","0.009","90","","106.78","0.03","90","","4236","3","299.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C39 H46 F6 N O9 P2 Rh -","- C39 H46 F6 N O9 P2 Rh -","- C156 H184 F24 N4 O36 P8 Rh4 -","4","1","","Yamamoto, Yasuhiro; Sugawara, Kenichiro","Novel insertion of ethynylbenzene derivatives bearing an electron-withdrawing substituent at the 4-position into a P‒C bond and their transannular insertion between a metal atom and an ipso-carbon atom of the phosphine ligand †","Journal of the Chemical Society, Dalton Transactions","2000","","17","2896","","10.1039/b004984k","","","0.7107","MoKα","","","0.0653","","","","0.1797","","","","","","1.62","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009979","15.534","0.003","19.986","0.003","15.757","0.003","90","","103.7","0.01","90","","4752.8","1.5","299.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C49 H47 F6 O6 P2 Rh -","- C49 H47 F6 O6 P2 Rh -","- C196 H188 F24 O24 P8 Rh4 -","4","1","","Yamamoto, Yasuhiro; Sugawara, Kenichiro","Novel insertion of ethynylbenzene derivatives bearing an electron-withdrawing substituent at the 4-position into a P‒C bond and their transannular insertion between a metal atom and an ipso-carbon atom of the phosphine ligand †","Journal of the Chemical Society, Dalton Transactions","2000","","17","2896","","10.1039/b004984k","","","0.7107","MoKα","","","0.0644","","","","0.1981","","","","","","0.975","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009987","10.157","0.003","17.818","0.007","11.399","0.003","90","","104.98","0.02","90","","1992.9","1.1","296.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C18 H14 Ag F3 N2 O4 S -","- C18 H14 Ag F3 N2 O4 S -","- C72 H56 Ag4 F12 N8 O16 S4 -","4","1","","Maekawa, Masahiko; Konaka, Hisashi; Suenaga, Yusaku; Kuroda-Sowa, Takayoshi; Munakata, Megumu","A variety of one-, two- and three-dimensional copper(I) and silver(I) co-ordination polymers assembled by 1,4-bis(4-pyridyl)butadiyne and 1,4-bis(2-pyridyl)butadiyne","Journal of the Chemical Society, Dalton Transactions","2000","","22","4160","4166","10.1039/b005006g","","","0.7107","MoKa","","","0.0547","","","","0.1788","","","","","","1.021","","","","has coordinates","275130","2022-05-06","18:53:41",""
"7009990","9.457","0.005","10.912","0.004","15.87","0.004","90","","99.32","0.03","90","","1616.1","1.1","296.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C15 H8 Ag F3 N2 O3 S -","- C15 H8 Ag F3 N2 O3 S -","- C60 H32 Ag4 F12 N8 O12 S4 -","4","1","","Maekawa, Masahiko; Konaka, Hisashi; Suenaga, Yusaku; Kuroda-Sowa, Takayoshi; Munakata, Megumu","A variety of one-, two- and three-dimensional copper(I) and silver(I) co-ordination polymers assembled by 1,4-bis(4-pyridyl)butadiyne and 1,4-bis(2-pyridyl)butadiyne","Journal of the Chemical Society, Dalton Transactions","2000","","22","4160","4166","10.1039/b005006g","","","0.7107","MoKα","","","0.0413","","","","0.1028","","","","","","1.017","","","","has coordinates","275155","2022-05-06","23:16:32",""
"7010269","17.2853","0.0003","12.7079","0.0003","18.5879","0.0004","90","","117.407","0.001","90","0.001","3624.73","0.14","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","00skl036","a,a'-bis(3-mesityl-imidazol-2-ylidene)-o-xylene bis (silver bromide)","","- C32.5 H35 Ag2 Cl3 N4 -","- C32 H34 Ag2 Cl2 N4 -","- C128 H136 Ag8 Cl8 N16 -","4","1","","Tulloch, Arran A. D.; Danopoulos, Andreas A.; Winston, Scott; Kleinhenz, Sven; Eastham, Graham","N-Functionalised heterocyclic carbene complexes of silver","Journal of the Chemical Society, Dalton Transactions","2000","","24","4499","","10.1039/b007504n","","","0.71073","MoKα","","0.1598","0.0734","","","0.2093","0.236","","","","","","0.98","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010662","6.9019","0.0002","13.3935","0.0004","11.2534","0.0001","90","","103.257","0.002","90","","1012.55","0.04","178.2","","178.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C8 H7 N2 O2 Rh S -","- C8 H7 N2 O2 Rh S -","- C32 H28 N8 O8 Rh4 S4 -","4","1","","Rojas, Sergio; Fierro, José Luis García; Fandos, Rosa; Rodríguez, Ana; Terreros, Pilar","Synthesis, structure and hydroformylation activity of monomer rhodium and iridium pyrimidine thiolate complexes","Journal of the Chemical Society, Dalton Transactions","2001","","15","2316","","10.1039/b101915p","","","0.7107","MoKα","","","0.0266","","","0.0277","","","","","0.96","0.96","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010731","9.7708","0.0004","15.1394","0.0006","12.6876","0.0005","90","","109.957","0.001","90","","1764.1","0.12","301","2","301","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Chlorodimethyl(2-diphenylphosphinoethyl-C,O)stannane","","- C16 H20 Cl O P Sn -","- C16 H20 Cl O P Sn -","- C64 H80 Cl4 O4 P4 Sn4 -","4","1","","Harrison, William T. A.; Howie, R. Alan; Munro, Craig M.; Wardell, James L.","Monomer‒polymer forms of solid, unsolvated, 5-coordinate halodimethyl(2-diphenylphosphinylethyl)stannanes, XMe2SnCH2CH2P(O)Ph2 (X = Cl, Br or I). Effects of different recrystallisation media","Journal of the Chemical Society, Dalton Transactions","2001","","18","2593","","10.1039/b103107b","","","0.71073","MoKα","","0.0242","0.0195","","","0.0499","0.052","","","","","","1.03","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7010732","9.815","0.0004","15.2192","0.0007","12.8056","0.0006","90","","109.608","0.001","90","","1801.93","0.14","301","2","301","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Bromodimethyl(2-diphenylphosphinoethyl-C,O)stannane","","- C16 H20 Br O P Sn -","- C16 H20 Br O P Sn -","- C64 H80 Br4 O4 P4 Sn4 -","4","1","","Harrison, William T. A.; Howie, R. Alan; Munro, Craig M.; Wardell, James L.","Monomer‒polymer forms of solid, unsolvated, 5-coordinate halodimethyl(2-diphenylphosphinylethyl)stannanes, XMe2SnCH2CH2P(O)Ph2 (X = Cl, Br or I). Effects of different recrystallisation media","Journal of the Chemical Society, Dalton Transactions","2001","","18","2593","","10.1039/b103107b","","","0.71073","MoKα","","0.0329","0.0239","","","0.0584","0.061","","","","","","1.032","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7010810","13.94","0.004","31.191","0.012","13.96","0.004","90","","137.029","0.017","90","","4137","3","296","2","296","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","[Cr(dpm)~2~(NIT2-py)]PF~6~","Bis(2,2,6,6-tetramethylhepta-3,5-dionato)(2-(2'-(pyridyl)-4,4,5,5-tetramethyl- 4,5-dihydro-1H-imidazolyl-3-oxide-1-oxyl)chromium(III) Hexafluorophosphate","","- C34 H54 Cr F6 N3 O6 P -","- C34 H54 Cr F6 N3 O6 P -","- C136 H216 Cr4 F24 N12 O24 P4 -","4","1","","Yasunori Tsukahara; Atsushi Iino; Takafumi Yoshida; Takayoshi Suzuki; Sumio Kaizaki","Synthesis, magnetic properties, and electronic spectra of mixed ligand bis(β-diketonato)chromium(III) complexes with a chelated nitronyl nitroxide radical: X-ray structure of [Cr(dpm)2(NIT2py)]PF6","J. Chem. Soc., Dalton Trans.","2002","","2","181","187","10.1039/b104092h","","","0.71069","MoKα","","0.3712","0.0704","","","0.1866","0.2958","","","","","","0.885","","","","has coordinates","179812","2020-10-21","18:00:00",""
"7010902","19.004","0.004","10.715","0.004","19.586","0.008","90","","101.37","0.03","90","","3910","2","293","1","293","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","steve6","","","- C20 H52 Fe4 N2 O4 S8 -","- C20 H30 Fe4 N2 O4 S8 -","- C80 H120 Fe16 N8 O16 S32 -","4","1","","Davies, Sian C.; Evans, David J.; Henderson, Richard A.; Hughes, David L.; Longhurst, Steven","Proton affinity of [Fe4S4{SCH2CH(OH)Me}4]2‒ in methanol: relevance to hydrogen bonding of Fe‒S clusters in proteinsElectronic supplementary information (ESI) available: kinetic data for the reaction of [Fe4S4{SCH2CH(OH)Me}4]2‒ with PhS‒ in the presence of [NHEt3]+ in MeOH at 25 °C. See http://www.rsc.org/suppdata/dt/b1/b105075n/","Journal of the Chemical Society, Dalton Transactions","2001","","23","3470","","10.1039/b105075n","","","0.71069","Mo-Kα","","0.1512","0.0897","","0.2714","0.2111","","","","0.966","1.15","1.15","","","","","has coordinates","179813","2020-10-21","18:00:00",""
"7010934","15.7399","0.0007","14.7129","0.0004","22.0035","0.001","90","","110.86","0.002","90","","4761.6","0.3","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H68 Fe2 N5 O39.5 -","- C20 H68 Fe2 N5 O39.5 -","- C80 H272 Fe8 N20 O158 -","4","1","","Peter C. Junk; Brian J. McCool; Boujemaa Moubaraki; Keith S. Murray; Leone Spiccia; John D. Cashion; Jonathan W. Steed","Utilization of crown ethers to stabilize the dinuclear μ-oxo bridged iron(III) aqua ion, [(H2O)5Fe(μ-O)Fe(OH2)5]4+","J. Chem. Soc., Dalton Trans.","2002","","6","1024","1029","10.1039/b105691n","","","0.7107","MoKα","","0.0536","0.0434","","","0.1084","0.116","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010995","15.134","0.017","14.522","0.019","29.774","0.033","90","","104.27","0.01","90","","6342","13","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H14 Br2 Mo -","- C18 H14 Br2 Mo -","- C288 H224 Br32 Mo16 -","16","4","","Michael G. B. Drew; Vitor Félix; Carlos C. Romão; Beatriz Royo","Bis-indenyl molybdenum(IV) halide complexes: synthesis and X-ray studies","J. Chem. Soc., Dalton Trans.","2002","","4","584","590","10.1039/b106540h","","","0.71073","MoKα","","0.1382","0.0678","","","0.1437","0.1746","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011160","15.155","0.004","19.601","0.004","17.635","0.004","90","","112.51","0.02","90","","4839","2","298.1","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C46.5 H41 Cl F6 Ir P3 S2 W -","- C46.5 H40 Cl0.99 F6 Ir P3 S2 W -","- C186 H160 Cl3.96 F24 Ir4 P12 S8 W4 -","4","1","","Hiroko Kato; Hidetake Seino; Yasushi Mizobe; Masanobu Hidai","Syntheses and reactivities of hydrosulfido- or sulfido-bridged heterobimetallic complexes containing Group 6 and Group 9 metals","J. Chem. Soc., Dalton Trans.","2002","","7","1494","1499","10.1039/b108227m","","","0.7107","MoKα","","","0.053","","","","0.17","","","","","","1.093","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011379","20.83","0.001","13.596","0.001","7.526","0.001","90","","89.818","0.008","90","","2131.4","0.3","296.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C40 H48 Cl2 Mn2 N4 O14 -","- C40 H48 Cl2 Mn2 N4 O14 -","- C80 H96 Cl4 Mn4 N8 O28 -","2","0.5","","Hitoshi Miyasaka; Rodolphe Clérac; Tomohiko Ishii; Ho-Chol Chang; Susumu Kitagawa; Masahiro Yamashita","Out-of-plane dimers of Mn(III) quadridentate Schiff-base complexes with saltmen2− and naphtmen2− ligands: structure analysis and ferromagnetic exchange","J. Chem. Soc., Dalton Trans.","2002","","7","1528","1534","10.1039/b111094m","","","0.7107","MoKα","","","0.0483","","","","0.1385","","","","","","1.288","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011382","14.2464","0.0003","13.1533","0.0006","14.3675","0.0003","90","","109.676","0.0005","90","","2535.09","0.14","293.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H26 Mn N3 O2 S -","- C29 H26 Mn N3 O2 S -","- C116 H104 Mn4 N12 O8 S4 -","4","1","","Hitoshi Miyasaka; Rodolphe Clérac; Tomohiko Ishii; Ho-Chol Chang; Susumu Kitagawa; Masahiro Yamashita","Out-of-plane dimers of Mn(III) quadridentate Schiff-base complexes with saltmen2− and naphtmen2− ligands: structure analysis and ferromagnetic exchange","J. Chem. Soc., Dalton Trans.","2002","","7","1528","1534","10.1039/b111094m","","","0.7107","MoKα","","","0.063","","","","0.1821","","","","","","1.726","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011602","11.466","0.001","11.9468","0.0012","12.8618","0.0013","90","","91.595","0.008","90","","1761.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","complex 2","","","- C11.5 H23 Cl N3 S3 V -","- C11.51 H22 Cl N3 S3 V -","- C46.04 H88 Cl4 N12 S12 V4 -","4","1","","Davies, Sian C.; Hughes, David L.; Konkol, Martin; Richards, Raymond L.; Sanders, J. Roger; Sobota, Piotr","Synthesis, structure and chemistry of vanadium(iv) and vanadium(v) compounds with substituted hydrazido(1‒) and hydrazido(2‒) ligands","Journal of the Chemical Society, Dalton Transactions","2002","","14","2811","","10.1039/b202098j","","","0.71069","Mo-Kα","","0.0565","0.0388","","0.1165","0.1025","","","","1.056","1.102","1.102","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7011758","9.338","0.002","8.706","0.002","18.463","0.003","90","","96.046","0.017","90","","1492.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H16 N4 Pt -","- C14 H16 N4 Pt -","- C56 H64 N16 Pt4 -","4","1","","Canovese, Luciano; Visentin, Fabiano; Chessa, Gavino; Santo, Claudio; Uguagliati, Paolo; Maini, Lucia; Polito, Marco","The mechanism of olefin exchange in platinum(0) pyridyl???methanimine and pyridyl???thioether complexes. A kinetic study","Journal of the Chemical Society, Dalton Transactions","2002","","19","3696","","10.1039/b203608h","","","0.71073","MoKα","","0.1234","0.0434","","","0.0928","0.1189","","","","","","0.999","","","","has coordinates","179821","2020-10-21","18:00:00",""
"7012308","16.15","0.02","11.726","0.006","23.075","0.018","90","","94.16","0.08","90","","4358","7","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C21 H30 Cl N Pt S -","- C21 H30 Cl N Pt S -","- C168 H240 Cl8 N8 Pt8 S8 -","8","2","","Font-Bardía, Mercè; Gallego, Carlos; González, Gabriel; Martinez, Manuel; Merbach, André E.; Solans, Xavier","Isomerization in substitution processes of cyclometallated dimethylhaloplatinum(iv) complexesElectronic supplementary information (ESI) available: kobs, the axMe signal intensity of 1, the 1H NMR spectrum of 3, and the temperature evolution of 1H NMR signals of SMe2 in isomers of 5. See http://www.rsc.org/suppdata/dt/b2/b209844j/","Dalton Transactions","2003","","6","1106","","10.1039/b209844j","","","0.71069","MoKα","","0.0618","0.0442","","","0.094","0.0977","","","","","","0.942","","","","has coordinates","179827","2020-10-21","18:00:00",""
"7012324","7.6021","0.0004","11.5143","0.0003","15.5013","0.0005","90","","92.204","0.002","90","","1355.87","0.09","173.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C9 H12 I2 O2 Te -","- C9 H12 I2 O2 Te -","- C36 H48 I8 O8 Te4 -","4","1","","Asahara, Masahiro; Taomoto, Shoichiro; Tanaka, Masahito; Erabi, Tatsuo; Wada, Masanori","Dependence of the rotational barrier of the Ar-group in RArTeX2 on the R-group [Ar = 2,6-(MeO)2C6H3; R = Me, Et, i-Pr; X = Cl, Br, I]","Dalton Transactions","2003","","5","973","","10.1039/b210033a","","","0.7107","MoKα","","","0.028","","","","0.139","","","","","","1.023","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7012757","15.995","0.005","10.784","0.005","19.143","0.005","90","","114.01","0.005","90","","3016.3","1.9","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H14 N2 O7 V -","- C14 H14 N2 O7 V -","- C112 H112 N16 O56 V8 -","8","2","","del Río, Diego; Galindo, Agustín; Vicente, Ramón; Mealli, Carlo; Ienco, Andrea; Masi, Dante","Synthesis, molecular structure and properties of oxo-vanadium(iv) complexes containing the oxydiacetate ligand","Dalton Transactions","2003","","9","1813","","10.1039/b300914a","","x-ray","0.71069","MoKα","","0.1261","0.0711","","","0.1722","0.1934","","","","","","1.166","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012809","11.269","0.004","16.431","0.005","11.7746","0.0005","90","","92.19","0.01","90","","2178.6","1","296","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C18 H14 F6 N5 P Pt S2 -","- C18 H14 F6 N5 P Pt S2 -","- C72 H56 F24 N20 P4 Pt4 S8 -","4","1","","Tannai, Hidenori; Tsuge, Kiyoshi; Sasaki, Yoichi; Hatozaki, Osamu; Oyama, Noboru","Monodentate and bridging coordination of 2,5-dimercapto-1,3,4-thiadiazolate to a (2,2':6',2''-terpyridine)platinum(II) center","Dalton Transactions","2003","","11","2353","2358","10.1039/b301390c","","","0.7107","MoKα","","","0.0572","","","","0.1459","","","","","","2.198","","","","has coordinates","275159","2022-05-06","23:44:30",""
"7012843","11.025","0.002","12.5943","0.0017","25.5808","0.0018","90","","94.41","0.01","90","","3541.4","0.8","296","2","296","2","","","","","","","","9","P 1 21/a 1","-P 2yab","14","trans-[Co(dtc)~2~{P(OMe)~2~Ph}~2~]BF~4~.(CH~3~)~2~CO","trans-Bis(dimethyldithiocarbamato)bis(dimethyl phenylphosphonito)cobalt(III) Tetrafluoroborate Acetone solvate","","- C25 H40 B Co F4 N2 O5 P2 S4 -","- C25 H40 B Co F4 N2 O5 P2 S4 -","- C100 H160 B4 Co4 F16 N8 O20 P8 S16 -","4","1","","Iwatsuki, Satoshi; Kashiwamura, Shinsaku; Kashiwabara, Kazuo; Suzuki, Takayoshi; Takagi, Hideo D.","Syntheses, crystal structures and isomerization kinetics of a series of [Co(dtc)2{P(OMe)3�?�nPhn}2]+ (n = 0?2) complexes (dtc? = N,N-dimethyldithiocarbamate): role of ?-donicity, ?-acidity, and cone angle of the P-ligands in the trans influence and trans effectElectronic supplementary information (ESI) available: bond lengths and angles for all of the trans- and cis-complexes are summarized in Table S1?S6. The structures of the trans-isomers with different orientations and conformations of the OMe and Ph substituents on the P atoms are shown in Figs. S1?S3. See http://www.rsc.org/suppdata/dt/b3/b301712e/","Dalton Transactions","2003","","11","2280","","10.1039/b301712e","","","0.71069","MoKα","","0.1789","0.0447","","","0.1427","0.188","","","","","","1.006","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012871","9.371","0.0002","23.299","0.0005","9.918","0.0002","90","","101.772","0.001","90","","2119.9","0.08","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C30 H55 Cl8 Cu2 N9 -","- C30 H55 Cl8 Cu2 N9 -","- C60 H110 Cl16 Cu4 N18 -","2","0.5","","Randolf D. Köhn; Zhida Pan; Mary F. Mahon; Gabriele Kociok-Köhn","Coordination chemistry of copper-(I) and -(II) with 2-pyridylmethyl substituted triazacyclohexanes","Dalton Trans.","2003","","11","2269","2275","10.1039/b302037a","","","0.71073","MoKα","","0.0903","0.0818","","","0.2091","0.2164","","","","","","1.076","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012873","18.692","0.0016","10.607","0.0006","24.052","0.0018","90","","111.354","0.003","90","","4441.3","0.6","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C21 H24 B Cu F4 N6 -","- C21 H24 B Cu F4 N6 -","- C168 H192 B8 Cu8 F32 N48 -","8","2","","Randolf D. Köhn; Zhida Pan; Mary F. Mahon; Gabriele Kociok-Köhn","Coordination chemistry of copper-(I) and -(II) with 2-pyridylmethyl substituted triazacyclohexanes","Dalton Trans.","2003","","11","2269","2275","10.1039/b302037a","","","0.71073","MoKα","","0.346","0.1475","","","0.304","0.3689","","","","","","0.966","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012969","16.6766","0.0001","20.5525","0.0002","35.7789","0.0004","90","","93.5003","0.0005","90","","12240.2","0.2","170","2","170","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[(L1)Sc(THF){(tBuC6H3O)CHCH2SiMe3-NPh}]","","","- C42 H55 N2 O3 Sc Si -","- C42 H55 N2 O3 Sc Si -","- C504 H660 N24 O36 Sc12 Si12 -","12","3","","Emslie, David J. H.; Piers, Warren E.; Parvez, Masood","Synthesis and thermal reactivity of organoscandium and yttrium complexes of sterically less bulky salicylaldiminato ligandsElectronic supplementary information (ESI) available: Further experimental details. See http://www.rsc.org/suppdata/dt/b3/b303097k/","Dalton Transactions","2003","","12","2615","","10.1039/b303097k","","","0.71073","MoKα","","0.0765","0.0459","","","0.1039","0.1192","","","","","","0.991","","","","has coordinates,has disorder","179833","2020-10-21","18:00:00",""
"7013020","7.514","0.0015","21.352","0.003","8.159","0.0013","90","","115.528","0.017","90","","1181.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","(4-methylthiazole-kappaN)pentafluorophenylgold(i)","(4-methylthiazole-κN)pentafluorophenylgold(I)","","- C10 H5 Au F5 N S -","- C10 H5 Au F5 N S -","- C40 H20 Au4 F20 N4 S4 -","4","1","","Cronje, Stephanie; Raubenheimer, Helgard G.; Spies, Hendrik S. C.; Esterhuysen, Catharine; Schmidbaur, Hubert; Schier, Annette; Kruger, Gert J.","Synthesis and characterisation of N-coordinated pentafluorophenyl gold(i) thiazole-derived complexes and an unusual self-assembly to form a tetrameric gold(i) complexElectronic supplementary information (ESI) available: Characterisation data for 1. See http://www.rsc.org/suppdata/dt/b3/b303625a/","Dalton Transactions","2003","","14","2859","","10.1039/b303625a","","","0.71073","MoKα","","","0.055","","","0.043","0.039","","","","","","2.618","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7013021","7.4858","0.0005","12.2944","0.0009","13.5153","0.001","90","","92.933","0.002","90","","1242.23","0.15","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","(4-methyl-3H-thiazole-2-thione-kappaS)pentafluorophenylgold(i)","(4-methyl-3H-thiazole-2-thione-κS)pentafluorophenylgold(I)","","- C10 H5 Au F5 N S2 -","- C10 H5 Au F5 N S2 -","- C40 H20 Au4 F20 N4 S8 -","4","1","","Cronje, Stephanie; Raubenheimer, Helgard G.; Spies, Hendrik S. C.; Esterhuysen, Catharine; Schmidbaur, Hubert; Schier, Annette; Kruger, Gert J.","Synthesis and characterisation of N-coordinated pentafluorophenyl gold(i) thiazole-derived complexes and an unusual self-assembly to form a tetrameric gold(i) complexElectronic supplementary information (ESI) available: Characterisation data for 1. See http://www.rsc.org/suppdata/dt/b3/b303625a/","Dalton Transactions","2003","","14","2859","","10.1039/b303625a","","","0.71073","MoKα","","0.0814","0.0677","","","0.1719","0.1854","","","","","","1.092","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7013142","14.079","0.004","10.515","0.002","15.043","0.002","90","","96.18","0.02","90","","2214","0.8","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","(Co(dmatue)Cl)(ClO4)2.H2O","","","- C12 H27 Cl3 Co N3 O9 S2 -","- C12 H25 Cl3 Co N3 O9 S2 -","- C48 H100 Cl12 Co4 N12 O36 S8 -","4","1","","Clint A. Sharrad; Stefan R. Lüthi; Lawrence R. Gahan","Embracing ligands. A synthetic strategy towards new nitrogen‒thioether multidentate ligands and characterization of the cobalt(III) complexes","Dalton Trans.","2003","","19","3693","3703","10.1039/b304914k","","","0.71073","MoKα","","0.0565","0.0384","","0.1103","0.1","","","","","","","1.033","","","","has coordinates","179835","2020-10-21","18:00:00",""
"7013168","7.702","0.001","10.009","0.001","20.625","0.001","90","","93.124","0.001","90","","1587.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","C6 H16 Na1 O6 Re1 S5","","","- C6 H16 Na O6 Re S5 -","- C6 H12 Na O6 Re S5 -","- C24 H48 Na4 O24 Re4 S20 -","4","1","","David Martín; Carlos Piera; Ulderico Mazzi; Raffaella Rossin; Xavier Solans; Mercè Font-Bardia; Joan Suades","Rhenium and technetium-99m complexes with coenzyme M (MESNA)","Dalton Trans.","2003","","15","3041","3045","10.1039/b305042d","","","0.71069","MoKα","","0.0452","0.0354","","","0.1005","0.109","","","","","","1.156","","","","has coordinates","179835","2020-10-21","18:00:00",""
"7013289","7.919","0.015","15.528","0.015","11.099","0.009","90","","97.72","0.1","90","","1352","3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H16 Cl2 N2 Pt -","- C11 H16 Cl2 N2 Pt -","- C44 H64 Cl8 N8 Pt4 -","4","1","","Margarita Crespo; Mercè Font-Bardia; Jaume Granell; Manuel Martínez; Xavier Solans","Cyclometallation on platinum(II) complexes; the role of the solvent and added base donor capability on the reaction mechanisms","Dalton Trans.","2003","","19","3763","3769","10.1039/b306243k","","","0.71069","MoKα","","0.132","0.0356","","","0.0773","0.0985","","","","","","0.812","","","","has coordinates","179836","2020-10-21","18:00:00",""
"7013310","32.62","0.005","14.848","0.002","12.44","0.003","90","","96.06","0.02","90","","5991.5","1.9","293","2","293","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C58 H62 B2 F8 Mo N4 O P4 -","- C59.4 H50 B2 F8 Mo N4 O P4 -","- C237.6 H200 B8 F32 Mo4 N16 O4 P16 -","4","1","","Luísa M. D. R. S. Martins; Elisabete C. B. A. Alegria; David L. Hughes; João J. R. Fraústo da Silva; Armando J. L. Pombeiro","Syntheses and properties of hydride‒cyanamide and derived hydrogen-cyanamide complexes of molybdenum(IV). Crystal structure of [MoH2(NCNH2)2(Ph2PCH2CH2PPh2)2][BF4]2","Dalton Trans.","2003","","19","3743","3750","10.1039/b306368b","","","0.71069","Mo-Kα","","0.1559","0.094","","","0.2333","0.2903","","","","","","1.089","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7013340","13.637","0.003","9.363","0.006","14.055","0.004","90","","109","0.02","90","","1696.8","1.3","301.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H23 Cl2 Ir S2 -","- C14 H23 Cl2 Ir S2 -","- C56 H92 Cl8 Ir4 S8 -","4","1","","Yamamoto, Yasuhiro; Sakamoto, Shinobu; Ohki, Yuka; Usuzawa, Akihiro; Fujita, Masanori; Mochida, Tomoyuki","Preparation and characterization of rhodium(iii), iridium(iii) and ruthenium(ii) bearing 1,3- or 1,4-dithianesElectronic supplementary information (ESI) available: Crystal data and ORTEP figures for 2b, 2ab and 3c and further experimental details. See http://www.rsc.org/suppdata/dt/b3/b306496d/","Dalton Transactions","2003","","18","3534","","10.1039/b306496d","","","0.7107","MoKα","","","0.0334","","","","0.043","","","","","","1.11","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013379","22.458","0.003","9.007","0.001","26.689","0.004","90","","94.16","0.002","90","","5384.4","1.2","213.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C46 H74 B2 N14 Ni O2 Pd -","- C46 H69 B2 N14 Ni O2 Pd -","- C184 H276 B8 N56 Ni4 O8 Pd4 -","4","1","","Kujime, Masato; Hikichi, Shiro; Akita, Munetaka","Interaction of hydroperoxopalladium complexes, (TpR)(py)Pd-OOH, with hydroxo-nickel and -cobalt complexes, [(μ-OH)(MTpR')]2 (M = Ni, Co), leading to oxidative dehydrogenation of the saturated hydrocarbyl moiety in the ancillary ligand (TpiPr2)","Dalton Transactions","2003","2003","18","3506","","10.1039/b307262m","","","0.7107","MoKα","","","0.0928","","","","0.2352","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013696","14.1412","0.0007","18.504","0.001","15.1158","0.0008","90","","115.497","0.003","90","","3570.1","0.3","90","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H14 Ag N4 O -","- C10 H14 Ag N4 O -","- C120 H168 Ag12 N48 O12 -","12","3","","Yamada, Susumu; Ishida, Takayuki; Nogami, Takashi","Supramolecular triangular and linear arrays of metal-radical solids using pyrazolato-silver(I) motifs.","Dalton transactions (Cambridge, England : 2003)","2004","","6","898","903","10.1039/b312406a","","","0.7107","MoKα","","","0.0699","","","","0.1706","","","","","","1.438","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013997","12.051","0.002","28.238","0.003","16.433","0.003","90","","111.652","0.007","90","","5197.5","1.4","193.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C78 H148 N12 O10 P4 Sm2 -","- C78 H148 N12 O10 P4 Sm2 -","- C156 H296 N24 O20 P8 Sm4 -","2","0.5","","Deng, Mingyu; Yao, Yingming; Shen, Qi; Zhang, Yong; Sun, Jin","Novel lanthanide(II) complexes supported by carbon-bridged biphenolate ligands: synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2004","","6","944","950","10.1039/b317027f","","","0.7107","MoKα","","","0.055","","","","0.173","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014295","14.4299","0.0004","13.941","0.0006","21.463","0.001","90","","109.377","0.001","90","","4073.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C54 H112 Cl6 Cu6 N18 O32 -","- C54 H108 Cl6 Cu8 N18 O32 -","- C108 H216 Cl12 Cu16 N36 O64 -","2","0.5","","Bim Graham; Leone Spiccia; Gary D. Fallon; Milton T. W. Hearn; Frank E. Mabbs; Boujemaa Moubaraki; Keith S. Murray","Structure and magnetic properties of tri- and hexa-nuclear hydroxo-bridged copper(II) complexes formed by a trimacrocyclic derivative of 1,4,7-triazacyclononane","J. Chem. Soc., Dalton Trans.","2002","","","1226","1232","10.1039/B105595J","","","0.7107","MoKα","","0.0934","0.0564","","0.0753","","0.0703","","","1.815","","","2.214","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014564","9.172","0.004","28.238","0.012","11.634","0.006","90","","104.482","0.009","90","","2917","2","93.1","","93.1","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C62 H52 F12 N4 O8 Ru2 -","- C62 H52 F12 N4 O8 Ru2 -","- C124 H104 F24 N8 O16 Ru4 -","2","0.5","","Miyasaka, Hitoshi; Motokawa, Natsuko; Atsuumi, Ryo; Kamo, Hiromichi; Asai, Yuichiro; Yamashita, Masahiro","Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","673","682","10.1039/c0dt00956c","","","0.7107","MoKα","","","0.0615","","","","0.1184","","","","","","0.956","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014568","12.153","0.005","20.238","0.008","13.955","0.006","90","","109.579","0.005","90","","3234","2","93.1","","93.1","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C70 H68 F12 N4 O10 Ru2 -","- C70 H68 F12 N4 O10 Ru2 -","- C140 H136 F24 N8 O20 Ru4 -","2","0.5","","Miyasaka, Hitoshi; Motokawa, Natsuko; Atsuumi, Ryo; Kamo, Hiromichi; Asai, Yuichiro; Yamashita, Masahiro","Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","673","682","10.1039/c0dt00956c","","","0.7107","MoKα","","","0.0434","","","","0.1117","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014651","8.2278","0.0011","16.183","0.002","9.3757","0.0015","90","","112.322","0.002","90","","1154.8","0.3","298.1","","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H11 Co O2 S2 -","- C10 H11 Co O2 S2 -","- C40 H44 Co4 O8 S8 -","4","1","","Nomura, Mitsushiro","Organometallic dithiolene complexes of the group 8-10 metals: Reactivities, structures and electrochemical behavior.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2112","2140","10.1039/c0dt01025a","","","0.7107","MoKα","","","0.0348","","","","0.0966","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014692","18.054","0.0003","12.1652","0.0002","18.3858","0.0003","90","","108.099","0.001","90","","3838.28","0.11","200","2","200","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C41 H51 N2 S2 V -","- C41 H51 N2 S2 V -","- C164 H204 N8 S8 V4 -","4","1","","Chang, Kai-Chieh; Lu, Chia-Fu; Wang, Po-Yang; Lu, Duan-Yen; Chen, Hong-Zhang; Kuo, Ting-Shen; Tsai, Yi-Chou","Ligand-controlled synthesis of vanadium(i) β-diketiminates and their catalysis in cyclotrimerization of alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2324","2331","10.1039/c0dt01061h","","","0.71073","MoKα","","0.0769","0.0593","","","0.1498","0.1712","","","","","","1.093","","","","has coordinates,has disorder","179850","2020-10-21","18:00:00",""
"7015037","11.6784","0.0005","17.5605","0.0006","18.3113","0.0009","90","","109.816","0.002","90","","3532.9","0.3","133.2","","133","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C33 H48 F6 N2 O2 Pd Sb -","- C33 H48 F6 N2 O2 Pd Sb -","- C132 H192 F24 N8 O8 Pd4 Sb4 -","4","1","","Shimazaki, Yuichi; Arai, Natsumi; Dunn, Tim J.; Yajima, Tatsuo; Tani, Fumito; Ramogida, Caterina F.; Storr, Tim","Influence of the chelate effect on the electronic structure of one-electron oxidized group 10 metal(ii)-(disalicylidene)diamine complexes","Dalton Transactions","2011","40","11","2469","","10.1039/c0dt01574a","","","0.7107","MoKα","","","0.0479","","","","0.1586","","","","","","1.882","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015056","7.411","0.002","38.544","0.008","13.169","0.003","90","","76.26","0.02","90","","3654.1","1.5","296","1","296","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C39 H38 Mo2 N4 O4 -","- C39 H38 Mo2 N4 O4 -","- C156 H152 Mo8 N16 O16 -","4","1","","Takaki, Daichi; Okayama, Tetsuya; Shuto, Hiroshi; Matsumoto, Sawako; Yamaguchi, Yoshitaka; Matsumoto, Shinya","Indenyl-functionalised triethylborane adduct of N-heterocyclic carbene: stepwise coordination of indenyl and NHC ligands toward molybdenum fragment.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1445","1447","10.1039/c0dt01641a","","","1.54187","CuKα","","","0.0594","","","","0.1044","","","","","","0.87","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016127","10.617","0.0001","29.63","0.0003","11.835","0.0002","90","","112.223","0.001","90","","3446.52","0.08","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C38 H43 Cl N2 O P2 Ru -","- C38 H43 Cl N2 O P2 Ru -","- C152 H172 Cl4 N8 O4 P8 Ru4 -","4","1","","Page, Michael J.; Mahon, Mary F.; Whittlesey, Michael K.","Formation and reactivity of the cyclometallated N-heterocyclic carbene complexes [Ru(NHC)'(dppe)(CO)H].","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7858","7865","10.1039/c1dt10299k","","","0.71073","MoKα","","0.0908","0.0454","","","0.099","0.1184","","","","","","1.007","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016179","10.0144","0.0003","23.056","0.0009","13.6218","0.0004","90","","109.868","0.002","90","","2957.96","0.17","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H37 Cl3 N2 O3 V -","- C29 H37 Cl3 N2 O3 V -","- C116 H148 Cl12 N8 O12 V4 -","4","1","","Carter, E.; Fallis, I. A.; Kariuki, B. M.; Morgan, I. R.; Murphy, D. M.; Tatchell, T.; Van Doorslaer, S.; Vinck, E.","Structure and pulsed EPR characterization of N,N'-bis(5-tert-butylsalicylidene)-1,2-cyclohexanediamino-vanadium(iv) oxide and its adducts with propylene oxide.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7454","7462","10.1039/c1dt10378d","","","0.71073","MoKα","","0.1015","0.0603","","","0.1295","0.1496","","","","","","1.04","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016185","30.966","0.007","6.795","0.003","15.901","0.008","90","","102.15","0.03","90","","3271","2","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H42 O6 Pd3 Se3 -","- C24 H42 O6 Pd3 Se3 -","- C96 H168 O24 Pd12 Se12 -","4","1","","Kumbhare, Liladhar B.; Wadawale, Amey; Zade, Sanjio S.; Jain, Vimal K.","Oligomeric allyl-palladium(ii) complexes of β-substituted ethylselenolates: Syntheses, structures and thermal decomposition.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7957","7966","10.1039/c1dt10392j","","","0.71069","MoKα","","0.2853","0.073","","","0.1533","0.2185","","","","","","0.986","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016456","19.567","0.003","12.9268","0.0014","19.692","0.003","90","","116.36","0.02","90","","4463","1.3","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C55 H47 P3 Pt Si -","- C55 H46 P3 Pt Si -","- C220 H184 P12 Pt4 Si4 -","4","1","","Takaya, Jun; Iwasawa, Nobuharu","Reaction of bis(o-phosphinophenyl)silane with M(PPh(3))(4) (M = Ni, Pd, Pt): synthesis and structural analysis of η(2)-(Si-H) metal(0) and pentacoordinate silyl metal(ii) hydride complexes of the Ni triad bearing a PSiP-pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8814","8821","10.1039/c1dt10526d","","","0.71073","MoKα","","0.1068","0.0832","","","0.2017","0.2223","","","","","","1.065","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016583","20.417","0.002","16.518","0.004","23.503","0.004","90","","113.439","0.008","90","","7272","2","213","2","213","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C88 H80 Fe2 P4 S2 -","- C88 H80 Fe2 P4 S2 -","- C352 H320 Fe8 P16 S8 -","4","1","","Johno, Keita; Tanaka, Yuya; Koike, Takashi; Akita, Munetaka","Making organometallic molecular wires via oxidative ligand coupling.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8089","8091","10.1039/c1dt11077b","","","0.71073","MoKα","","0.167","0.0812","","","0.1842","0.2119","","","","","","0.976","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016739","10.732","0.002","16.083","0.002","8.66","0.002","90","","90.16","0.02","90","","1494.7","0.5","296.2","","296.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H15 Mo N S2 -","- C17 H15 Mo N S2 -","- C68 H60 Mo4 N4 S8 -","4","1","","Whalley, Alexandra L.; Blake, Alexander J.; Collison, David; Davies, E. Stephen; Disley, Helen J.; Helliwell, Madeleine; Mabbs, Frank E.; McMaster, Jonathan; Wilson, Claire; Garner, C. David","Synthesis, structure and redox properties of bis(cyclopentadienyl)dithiolene complexes of molybdenum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10457","10472","10.1039/c1dt10663e","","","1.5418","CuKα","","0.0654","0.0474","","","0.1176","0.1287","","","","","","1.054","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016823","21.6895","0.0004","21.7815","0.0003","23.3319","0.0004","90","","106.156","0.002","90","","10587.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C127.5 H119 Br2 N4 O8 Pd -","- C127.5 H119 Br2 N4 O8 Pd -","- C510 H476 Br8 N16 O32 Pd4 -","4","1","","Brenner, Eric; Matt, Dominique; Henrion, Mickaël; Teci, Matthieu; Toupet, Loïc","Calix[4]arenes with one and two N-linked imidazolium units as precursors of N-heterocyclic carbene complexes. Coordination chemistry and use in Suzuki-Miyaura cross-coupling.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9889","9898","10.1039/c1dt10838g","","","0.71073","MoKα","","0.1037","0.0383","","","0.0783","0.0863","","","","","","0.799","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016909","7.3848","0.0004","27.2437","0.0012","9.4632","0.0006","90","","99.407","0.002","90","","1878.29","0.18","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","k01prr15 1a","","","- C16 H22 O2 S Si2 -","- C16 H22 O2 S Si2 -","- C64 H88 O8 S4 Si8 -","4","1","","Khan, Muhammad S.; Al-Suti, Mohammed K; Shah, Hakkikulla H.; Al-Humaimi, Said; Al-Battashi, Fathiya R; Bjernemose, Jens K.; Male, Louise; Raithby, Paul R.; Zhang, Ning; Köhler, Anna; Warren, John E.","Synthesis and characterization of platinum(ii) di-ynes and poly-ynes incorporating ethylenedioxythiophene (EDOT) spacers in the backbone.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10174","10183","10.1039/c1dt11010a","","","0.71073","MoKα","","0.1101","0.0599","","","0.1168","0.1406","","","","","","1.05","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7017123","9.3935","0.0004","19.6173","0.0009","10.4028","0.0005","90","","104.947","0.001","90","","1852.12","0.15","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C46 H42 N2 O4 P2 Pd -","- C46 H42 N2 O4 P2 Pd -","- C92 H84 N4 O8 P4 Pd2 -","2","0.5","","Sánchez, Gregorio; García, Joaquín; Martínez, Marina; Kapdi, Anant R.; Pérez, José; García, Luis; Luis Serrano, J.","Bis(imidate)palladium(ii) complexes with labile ligands. Mimics of classical precursors?","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12676","12689","10.1039/c1dt10426h","","","0.71073","MoKα","","0.0273","0.026","","","0.0647","0.0659","","","","","","0.837","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017291","13.5983","0.0005","7.4017","0.0003","38.4451","0.0014","90","","90.841","0.003","90","","3869.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C32 H54 Cl2 N4 O6 Pd S2 -","- C32 H54 Cl2 N4 O6 Pd S2 -","- C128 H216 Cl8 N16 O24 Pd4 S8 -","4","1","","Oelkers, Benjamin; Sundermeyer, Jörg","Sulfonate-tagged 1,4-diazabutadiene (DAD(S)) ligands and their noble-metal complexes - synthesis, characterization and immobilization in ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12727","12741","10.1039/c1dt10939a","","","0.71073","MoKα","","0.1552","0.0677","","","0.1473","0.1666","","","","","","0.777","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017472","8.589","0.004","8.942","0.004","17.243","0.009","90","","96.902","0.011","90","","1314.7","1.1","253","2","253","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","bis(heptylammonium)tetraiodoplumbate(ii) PHASE IV","bis(heptylammonium)tetraiodoplumbate(II) PHASE IV","","- C14 H36 I4 N2 Pb -","- C14 H36 I4 N2 Pb -","- C28 H72 I8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.1584","0.1458","","","0.4231","0.4512","","","","","","2.127","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017475","8.4542","0.0009","8.9916","0.001","18.738","0.003","90","","96.301","0.008","90","","1415.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","bis(octylammonium)tetraiodoplumbate(ii) PHASE III","bis(octylammonium)tetraiodoplumbate(II) PHASE III","","- C16 H40 I4 N2 Pb -","- C16 H40 I4 N2 Pb -","- C32 H80 I8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.1621","0.1484","","","0.41","0.4379","","","","","","1.986","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017478","8.7054","0.0011","8.8401","0.001","19.791","0.003","90","","96.376","0.009","90","","1513.6","0.3","223","2","223","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","bis(nonylammonium)tetraiodoplumbate(ii) PHASE III","bis(nonylammonium)tetraiodoplumbate(II) PHASE III","","- C18 H44 I4 N2 Pb -","- C18 H44 I4 N2 Pb -","- C36 H88 I8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.1177","0.0862","","","0.2025","0.2299","","","","","","1.081","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017480","8.433","0.003","8.95","0.004","21.33","0.009","90","","96.107","0.01","90","","1600.8","1.1","243","2","243","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","bis(decylammonium)tetraiodoplumbate(ii) PHASE IV","bis(decylammonium)tetraiodoplumbate(II) PHASE IV","","- C20 H48 I4 N2 Pb -","- C20 H48 I4 N2 Pb -","- C40 H96 I8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.1075","0.0952","","","0.2602","0.2768","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017786","12.59","0.004","7.098","0.002","13.565","0.005","90","","110.359","0.005","90","","1136.5","0.6","123.2","","123.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 O3 Ru -","- C12 H10 O3 Ru -","- C48 H40 O12 Ru4 -","4","1","","Ando, Tatsuya; Nakata, Naoki; Suzuki, Kazuharu; Matsumoto, Takahiro; Ogo, Seiji","Ru cyclooctatetraene precursors for MOCVD.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1678","1682","10.1039/c1dt11454a","","","0.7107","MoKα","","","0.0194","","","","0.0523","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017998","15.8327","0.0015","14.13","0.0013","18.3007","0.0018","90","","104.286","0.0005","90","","3967.5","0.7","123.1","","123.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C48 H58 O2 Sm -","- C48 H58 O2 Sm -","- C192 H232 O8 Sm4 -","4","1","","Yatabe, Takeshi; Karasawa, Masaki; Isobe, Kiyoshi; Ogo, Seiji; Nakai, Hidetaka","A naphthyl-substituted pentamethylcyclopentadienyl ligand and its Sm(II) bent-metallocene complexes with solvent-induced structure change.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","354","356","10.1039/c1dt11844g","","","0.7107","MoKα","","","0.0341","","","","0.0735","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018301","9.6506","0.0016","9.5436","0.0017","29.633","0.005","90","","92.169","0.004","90","","2727.3","0.8","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImPF6","","","- C22 H43 F6 N2 P -","- C22 H43 F6 N2 P -","- C88 H172 F24 N8 P4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.2122","0.1039","","","0.3062","0.3894","","","","","","1.013","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018302","9.5645","0.0013","9.862","0.0015","28.969","0.004","90","","94.4","0.003","90","","2724.5","0.7","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImAsF6","","","- C22 H43 As F6 N2 -","- C22 H43 As F6 N2 -","- C88 H172 As4 F24 N8 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.1466","0.0886","","","0.272","0.3324","","","","","","1.08","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018303","9.6973","0.0007","9.9933","0.0007","28.991","0.002","90","","95.2424","0.0016","90","","2797.7","0.3","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImSbF6","","","- C22 H43 F6 N2 Sb -","- C22 H43 F6 N2 Sb -","- C88 H172 F24 N8 Sb4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.0816","0.05","","","0.1514","0.177","","","","","","1.051","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018304","9.5882","0.0011","10.0041","0.0014","28.871","0.003","90","","95.094","0.003","90","","2758.4","0.6","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImNbF6","","","- C22 H43 F6 N2 Nb -","- C22 H43 F6 N2 Nb -","- C88 H172 F24 N8 Nb4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.1582","0.0885","","","0.2576","0.3264","","","","","","1.018","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018305","9.6813","0.0008","10.0074","0.0009","29.014","0.003","90","","95.112","0.002","90","","2799.8","0.4","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImTaF6","","","- C22 H43 F6 N2 Ta -","- C22 H43 F6 N2 Ta -","- C88 H172 F24 N8 Ta4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.0976","0.0469","","","0.1136","0.1406","","","","","","0.994","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018306","9.74","0.002","9.526","0.002","29.916","0.007","90","","90.578","0.005","90","","2775.6","1","328","","328","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImPF6","","","- C22 H43 F6 N2 P -","- C22 H43 F6 N2 P -","- C88 H172 F24 N8 P4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.2395","0.1341","","","0.3577","0.4298","","","","","","1.122","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018307","9.7983","0.0011","9.6239","0.0013","29.575","0.003","90","","91.6869","0.0018","90","","2787.7","0.6","328","","328","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImAsF6","","","- C22 H43 As F6 N2 -","- C22 H43 As F6 N2 -","- C88 H172 As4 F24 N8 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.181","0.0853","","","0.241","0.3303","","","","","","0.933","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018308","9.986","0.0013","9.8314","0.0014","29.36","0.004","90","","92.795","0.002","90","","2879","0.7","328","","328","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImSbF6","","","- C22 H43 F6 N2 Sb -","- C22 H43 F6 N2 Sb -","- C88 H172 F24 N8 Sb4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.1207","0.0691","","","0.2048","0.2652","","","","","","0.995","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018309","9.838","0.003","9.772","0.003","29.126","0.008","90","","93.286","0.006","90","","2795.5","1.4","328","","328","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImNbF6","","","- C22 H43 F6 N2 Nb -","- C22 H43 F6 N2 Nb -","- C88 H172 F24 N8 Nb4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.1995","0.0832","","","0.209","0.2955","","","","","","0.951","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018310","9.949","0.001","9.7952","0.001","29.289","0.003","90","","92.81","0.002","90","","2850.9","0.5","328","","328","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImTaF6","","","- C22 H43 F6 N2 Ta -","- C22 H43 F6 N2 Ta -","- C88 H172 F24 N8 Ta4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.1414","0.0495","","","0.119","0.1673","","","","","","0.88","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018311","9.1715","0.0007","9.8807","0.0008","28.52","0.002","90","","95.707","0.002","90","","2571.7","0.3","173","","173","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImPF6","","","- C22 H43 F6 N2 P -","- C22 H43 F6 N2 P -","- C88 H172 F24 N8 P4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.1","0.0465","","","0.1059","0.1532","","","","","","1.117","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018312","9.1894","0.0002","9.9779","0.0003","28.5321","0.0007","90","","96.0148","0.0007","90","","2601.73","0.12","173","","173","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImAsF6","","","- C22 H43 As F6 N2 -","- C22 H43 As F6 N2 -","- C88 H172 As4 F24 N8 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.0681","0.0418","","","0.0981","0.119","","","","","","1.126","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018313","9.2091","0.0003","10.1539","0.0005","28.525","0.001","90","","96.2477","0.001","90","","2651.48","0.18","173","","173","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImSbF6","","","- C22 H43 F6 N2 Sb -","- C22 H43 F6 N2 Sb -","- C88 H172 F24 N8 Sb4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.0297","0.0262","","","0.0656","0.0676","","","","","","1.049","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018314","9.1865","0.0005","10.1457","0.0007","28.4689","0.0015","90","","96.1335","0.0016","90","","2638.2","0.3","173","","173","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImNbF6","","","- C22 H43 F6 N2 Nb -","- C22 H43 F6 N2 Nb -","- C88 H172 F24 N8 Nb4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.0776","0.047","","","0.1125","0.1454","","","","","","1.097","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018315","9.21","0.0003","10.1744","0.0003","28.4495","0.0011","90","","96.1688","0.0011","90","","2650.46","0.16","173","","173","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImTaF6","","","- C22 H43 F6 N2 Ta -","- C22 H43 F6 N2 Ta -","- C88 H172 F24 N8 Ta4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.0425","0.0349","","","0.11","0.138","","","","","","1.076","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018558","14.563","0.0004","11.473","0.0003","16.377","0.0006","90","","100.289","0.001","90","","2692.29","0.14","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C28 H24 Cu N4 O5 S -","- C28 H24 Cu N4 O5 S -","- C112 H96 Cu4 N16 O20 S4 -","4","1","","Burrows, Andrew D.; Mahon, Mary F.; Renouf, Catherine L.; Richardson, Christopher; Warren, Anna J.; Warren, John E.","Dipyridyl β-diketonate complexes and their use as metalloligands in the formation of mixed-metal coordination networks.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4153","4163","10.1039/c2dt12115h","","","0.71073","MoKα","","0.1238","0.0592","","","0.1487","0.1697","","","","","","0.998","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7020371","9.0437","0.0007","15.1679","0.001","16.2868","0.0013","90","","92.566","0.004","90","","2231.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C21 H24 N10 O -","- C21 H24 N10 O -","- C84 H96 N40 O4 -","4","1","","Stefankiewicz, Artur R.; Rogez, Guillaume; Harrowfield, Jack; Sobolev, Alexandre N.; Madalan, Augustin; Huuskonen, Juhani; Rissanen, Kari; Lehn, Jean-Marie","Self-ordering of metallogrid complexes via directed hydrogen-bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13848","13855","10.1039/c2dt31384g","","","0.71073","MoKα","","0.26","0.098","","","0.1378","0.1755","","","","","","1.049","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020747","11.379","0.002","15.463","0.003","18.824","0.004","90","","105.35","0.002","90","","3194","1.1","93","2","93","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H51 B N2 P2 Pt -","- C30 H51 B N2 P2 Pt -","- C120 H204 B4 N8 P8 Pt4 -","4","1","","Ogawa, Hayato; Yamashita, Makoto","Platinum complexes bearing a boron-based PBP pincer ligand: synthesis, structure, and application as a catalyst for hydrosilylation of 1-decene.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","625","629","10.1039/c2dt31892j","","","0.71075","MoKα","","0.0398","0.0345","","","0.062","0.0641","","","","","","1.12","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020856","21.7443","0.0007","10.8658","0.0003","31.2865","0.0009","90","","98.9885","0.0009","90","","7301.3","0.4","113","","113","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C28 H52 N2 O10 S4 W -","- C28 H52 N2 O10 S4 W -","- C224 H416 N16 O80 S32 W8 -","8","2","","Sugimoto, Hideki; Hatakeda, Kohei; Toyota, Kazuo; Tatemoto, Susumu; Kubo, Minoru; Ogura, Takashi; Itoh, Shinobu","A new series of bis(ene-1,2-dithiolato)tungsten(iv), -(v), -(vi) complexes as reaction centre models of tungsten enzymes: Preparation, crystal structures and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","9","3059","3070","10.1039/c2dt32179c","","","0.71075","MoKα","","","0.05","","","","0.0951","","","","","","1.015","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7021123","11.514","0.0003","15.0802","0.0005","14.4033","0.0005","90","","107.804","0.002","90","","2381.12","0.13","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H42 Cl Ir N2 -","- C23 H42 Cl Ir N2 -","- C92 H168 Cl4 Ir4 N8 -","4","1","","Dunsford, Jay J.; Tromp, Dorette S.; Cavell, Kingsley J.; Elsevier, Cornelis J.; Kariuki, Benson M.","N-alkyl functionalised expanded ring N-heterocyclic carbene complexes of rhodium(i) and iridium(i): structural investigations and preliminary catalytic evaluation.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7318","7329","10.1039/c2dt32823b","","","0.71073","MoKα","","0.0928","0.0628","","","0.1515","0.1759","","","","","","1.003","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021201","8.3739","0.0018","28.055","0.006","12.374","0.003","90","","106.265","0.0007","90","","2790.7","1.1","123","","123","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C25 H30 F6 N5 O P Pt -","- C25 H30 F6 N5 O P Pt -","- C100 H120 F24 N20 O4 P4 Pt4 -","4","1","","Uesugi, Haruka; Tsukuda, Toshiaki; Takao, Koichiro; Tsubomura, Taro","Highly emissive platinum(ii) complexes bearing carbene and cyclometalated ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7396","7403","10.1039/c3dt32866j","","","0.7107","MoKα","","","0.0356","","","","0.0776","","","","","","1.085","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021335","21.761","0.003","18.617","0.003","23.707","0.004","90","","93.768","0.003","90","","9584","3","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C119 H162 Nb2 O4 -","- C119 H162 Nb2 O4 -","- C476 H648 Nb8 O16 -","4","1","","Kurogi, Takashi; Ishida, Yutaka; Hatanaka, Tsubasa; Kawaguchi, Hiroyuki","Reduction of carbon monoxide by a tetrakis(aryloxide)diniobium complex having four bridging hydrides.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7510","7513","10.1039/c2dt32798h","","","0.71075","MoKα","","0.1054","0.0775","","","0.1874","0.2118","","","","","","1.056","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021632","13.3994","0.0008","6.708","0.0003","14.585","0.0008","90","","110.353","0.007","90","","1229.1","0.13","100","1","100","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H34 N2 O10 S2 V2 -","- C20 H34 N2 O10 S2 V2 -","- C40 H68 N4 O20 S4 V4 -","2","0.5","","Drouza, Chryssoula; Vlasiou, Manos; Keramidas, Anastasios D.","Vanadium(iv/v)-p-dioxolene temperature induced electron transfer associated with ligation/deligation of solvent molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11831","11840","10.1039/c3dt50619c","","","1.5418","CuKα","","0.0414","0.0379","","","0.1042","0.1082","","","","","","1.064","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021644","12.8493","0.0011","11.4303","0.0006","15.1654","0.0011","90","","114.211","0.005","90","","2031.4","0.3","248","2","248","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H19 N4 O2 Rh -","- C23 H19 N4 O2 Rh -","- C92 H76 N16 O8 Rh4 -","4","1","","Zhu, Di; Budzelaar, Peter H. M.","N-Aryl β-diiminate complexes of the platinum metals.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11343","11354","10.1039/c3dt50715g","","","0.71073","MoKα","","0.0288","0.0206","","0.0474","0.0437","0.0474","","","1.108","","","1.108","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021862","14.4947","0.001","12.1565","0.0009","15.8097","0.0011","90","","99.488","0.001","90","","2747.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H12 N2 O2 Pd -","- C16 H12 N2 O2 Pd -","- C128 H96 N16 O16 Pd8 -","8","2","","Serrano, José Luis; García, Luis; Pérez, José; Pérez, Eduardo; Galiana, José Miguel; García, Joaquín; Martínez, Marina; Sánchez, Gregorio; da Silva, Ivan","New cyclometallated precursors of unsubstituted N-phenylpyrazole [{Pd(phpz)(μ-X)}2] (X = AcO or OH) and study of their reactivity towards selected ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","156","168","10.1039/c0dt00814a","","","0.71073","MoKα","","0.0627","0.059","","","0.1362","0.1385","","","","","","1.217","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021866","23.3603","0.0005","8.95252","0.00017","11.5684","0.0002","90","","104.074","0.0014","90","","2346.72","0.08","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H20 N8 Pd2 -","- C24 H20 N8 Pd2 -","- C96 H80 N32 Pd8 -","4","1","","Serrano, José Luis; García, Luis; Pérez, José; Pérez, Eduardo; Galiana, José Miguel; García, Joaquín; Martínez, Marina; Sánchez, Gregorio; da Silva, Ivan","New cyclometallated precursors of unsubstituted N-phenylpyrazole [{Pd(phpz)(μ-X)}2] (X = AcO or OH) and study of their reactivity towards selected ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","156","168","10.1039/c0dt00814a","powder diffraction","","0.824","","","","","","","","","","8.0273","","","","","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021914","14.501","0.003","24.574","0.003","14.763","0.004","90","","102.72","0.02","90","","5131.6","1.9","298","2","298","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C34 H58 Cl6 N3 P3 Pt3 Se3 -","- C34 H58 Cl6 N3 P3 Pt3 Se3 -","- C136 H232 Cl24 N12 P12 Pt12 Se12 -","4","1","","Vivekananda, K. V.; Dey, S.; Wadawale, A.; Bhuvanesh, N.; Jain, V. K.","Syntheses of Pd(ii)/Pt(ii) complexes with non-chelating 4-pyridylselenolate ligand ranging from mononuclear to macrocyclic structures and their utility as catalysts in Suzuki C-C coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14158","14167","10.1039/c3dt51510a","","","0.71069","MoKα","","0.3843","0.0696","","","0.1331","0.2161","","","","","","0.886","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7022014","17","0.014","10.775","0.004","15.631","0.015","90","","115.51","0.06","90","","2584","4","298","2","298","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C24 H21 Cl3 N P Pd Te -","- C24 H21 Cl3 N P Pd Te -","- C96 H84 Cl12 N4 P4 Pd4 Te4 -","4","1","","Chauhan, Rohit Singh; Kedarnath, G.; Wadawale, Amey; Slawin, Alexandra M. Z.; Jain, Vimal K.","Reactivity of 2-chalcogenopyridines with palladium-phosphine complexes: isolation of different complexes depending on the nature of chalcogen atom and phosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","259","269","10.1039/c2dt30535f","","","0.71069","MoKα","","0.3597","0.072","","","0.0929","0.1452","","","","","","0.9","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7023074","13.2378","0.0003","7.5324","0.0003","15.4174","0.0005","90","","110.218","0.002","90","","1442.58","0.08","120","2","120","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C11 H14 Br Fe N2 O3 P -","- C11 H14 Br Fe N2 O3 P -","- C44 H56 Br4 Fe4 N8 O12 P4 -","4","1","","Turrell, Peter J.; Hill, Amanda D.; Ibrahim, Saad K.; Wright, Joseph A.; Pickett, Christopher J.","Ferracyclic carbamoyl complexes related to the active site of [Fe]-hydrogenase.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8140","8146","10.1039/c3dt50642h","","","0.71073","MoKα","","0.0609","0.0402","","","0.0725","0.0794","","","","","","1.127","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023241","15.3862","0.0003","20.0202","0.0004","19.0094","0.0003","90","","96.393","0.001","90","","5819.14","0.19","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C66 H57 F6 Ir N5 O5 P -","- C66 H57 F6 Ir N5 O5 P -","- C264 H228 F24 Ir4 N20 O20 P4 -","4","1","","Smith, Rebecca A.; Stokes, Emily C.; Langdon-Jones, Emily E; Platts, James A.; Kariuki, Benson M.; Hallett, Andrew J.; Pope, Simon J. A.","Cyclometalated cinchophen ligands on iridium(III): towards water-soluble complexes with visible luminescence.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10347","10357","10.1039/c3dt51098k","","","0.71073","MoKα","","0.1121","0.0688","","","0.1198","0.1364","","","","","","1.108","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023528","22.575","0.0005","16.5211","0.0004","29.1443","0.0007","90","","91.3229","0.0012","90","","10866.9","0.4","123","2","123","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C99.5 H81 Cl7 F28 N2 P10 Pd2 -","- C99.5 H78 Cl7 F28 N2 P10 Pd2 -","- C398 H312 Cl28 F112 N8 P40 Pd8 -","4","1","","Tanase, Tomoaki; Hatada, Satoko; Mochizuki, Ayaka; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki","Flexible, linear, tetranuclear palladium complexes supported by tetraphosphine ligands with electron-withdrawing groups.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15941","15952","10.1039/c3dt51433a","","","0.71075","MoKα","","","0.0827","","","","0.247","","","","","","1.101","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023623","17.791","0.0013","12.9731","0.0006","18.4171","0.0011","90","","110.727","0.002","90","","3975.6","0.4","173","2","173","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","[Pd(PSMePy)(PPh3)](OTf)2","","","- C35 H28 F6 N5 O6 P Pd S4 -","- C35 H28 F6 N5 O6 P Pd S4 -","- C140 H112 F24 N20 O24 P4 Pd4 S16 -","4","1","","Kawada, Yumi; Kataoka, Yasutaka; Ura, Yasuyuki","Fluxional interconversion of divalent palladium complexes having NSNSN ligands between flexible SNS and rigid NNN-coordinated structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14844","14855","10.1039/c3dt51592c","","","0.7107","MoKα","","0.0662","0.0535","","","0.1379","0.1493","","","","","","1.107","","","","has coordinates,has disorder","179941","2020-10-21","18:00:00",""
"7023798","8.172","0.007","15.548","0.002","5.393","0.004","90","","105.617","0.004","90","","659.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H16 O6 P2 Sn -","- C6 H16 O6 P2 Sn -","- C12 H32 O12 P4 Sn2 -","2","0.5","","Shankar, Ravi; Asija, Meenal; Singla, Nisha; Basu, Suddhastwa; Kociok-Köhn, Gabriele; Molloy, Kieran C.","Synthesis, characterization and selective de-esterification of diorganotinbis(O-methylphosphite)s.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15591","15598","10.1039/c3dt52178h","","","0.71073","MoKα","","0.1009","0.0749","","","0.1744","0.1899","","","","","","1.13","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7024178","16.055","0.003","18.374","0.005","7.719","0.003","90","","100.75","0.02","90","","2237.1","1.2","298","2","298","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C44 H46 Cu F6 Fe2 N2 O8 S2 -","- C44 H46 Cu F6 Fe2 N2 O8 S2 -","- C88 H92 Cu2 F12 Fe4 N4 O16 S4 -","2","0.5","","Nishinaga, Tohru; Aono, Tomoshi; Isomura, Eigo; Watanabe, Sayaka; Miyake, Yoshihiro; Miyazaki, Akira; Enoki, Toshiaki; Miyasaka, Hitoshi; Otani, Hiroyuki; Iyoda, Masahiko","Structural, electronic and magnetic properties of Cu(II) complexes of 2-substituted tropones bearing a ferrocenyl group at 5-position.","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2293","2300","10.1039/b912255a","","","0.71069","MoKα","","0.0713","0.0346","","","0.1092","0.133","","","","","","0.916","","","","has coordinates","179946","2020-10-21","18:00:00",""
"7024179","12.891","0.007","8.762","0.005","13.727","0.009","90","","111.26","0.05","90","","1445","1.6","213","2","213","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 Fe O2 -","- C18 H16 Fe O2 -","- C72 H64 Fe4 O8 -","4","1","","Nishinaga, Tohru; Aono, Tomoshi; Isomura, Eigo; Watanabe, Sayaka; Miyake, Yoshihiro; Miyazaki, Akira; Enoki, Toshiaki; Miyasaka, Hitoshi; Otani, Hiroyuki; Iyoda, Masahiko","Structural, electronic and magnetic properties of Cu(II) complexes of 2-substituted tropones bearing a ferrocenyl group at 5-position.","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2293","2300","10.1039/b912255a","","","0.71069","MoKα","","0.0977","0.0713","","","0.1973","0.2088","","","","","","1.514","","","","has coordinates","179946","2020-10-21","18:00:00",""
"7024181","8.4296","0.0015","9.8744","0.0017","19.5262","0.0017","90","","101.57","0.011","90","","1592.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C19 H19 Fe N O -","- C19 H19 Fe N O -","- C76 H76 Fe4 N4 O4 -","4","1","","Nishinaga, Tohru; Aono, Tomoshi; Isomura, Eigo; Watanabe, Sayaka; Miyake, Yoshihiro; Miyazaki, Akira; Enoki, Toshiaki; Miyasaka, Hitoshi; Otani, Hiroyuki; Iyoda, Masahiko","Structural, electronic and magnetic properties of Cu(II) complexes of 2-substituted tropones bearing a ferrocenyl group at 5-position.","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2293","2300","10.1039/b912255a","","","0.71069","MoKα","","0.143","0.068","","","0.1942","0.2395","","","","","","1.473","","","","has coordinates","179946","2020-10-21","18:00:00",""
"7024265","17.354","0.002","13.042","0.002","9.36","0.003","90","","95.17","0.02","90","","2109.8","0.8","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H25 Mn N2 O5 -","- C22 H25 Mn N2 O5 -","- C88 H100 Mn4 N8 O20 -","4","1","","Martínez, David; Motevalli, Majid; Watkinson, Michael","Is there really a diagnostically useful relationship between the carbon-oxygen stretching frequencies in metal carboxylate complexes and their coordination mode?","Dalton transactions (Cambridge, England : 2003)","2010","39","2","446","455","10.1039/b913865j","","","0.71073","MoKα","","0.1064","0.0925","","","0.3106","0.327","","","","","","1.51","","","","has coordinates","179947","2020-10-21","18:00:00",""
"7024436","15.4641","0.0002","12.968","0.0002","18.4124","0.0003","90","","113.479","0.0009","90","","3386.69","0.09","200","","200","","","","","","","","local","7","P 1 21/a 1","-P 2yab","14","","","","- C33 H36 Cl N2 O4 P2 Pt -","- C33 H36 Cl N2 O4 P2 Pt -","- C132 H144 Cl4 N8 O16 P8 Pt4 -","4","1","","Bennett, Justine; Doyle, Roy J.; Lee, Hwi-Young; Lu, Di; Salem, Geoffrey; Speldewinde, David J.; Tifan, Michelle; Willis, Anthony C.","Synthesis of 1,3-azaphosphol-2-ones. Crystal and molecular structures of [SP-4-2]-dichlorobis(3-phenyl-1,3-dihydrobenzo[1,3]azaphosphol-2-one-P)palladium(II) and its chloro(methyl)platinum(II) analogue.","Dalton transactions (Cambridge, England : 2003)","2010","39","1","256","264","10.1039/b916913j","","","0.71073","MoKα","","0.0435","0.0256","","0.0342","0.0296","0.0296","","","","","","1.0991","","","","has coordinates","179949","2020-10-21","18:00:00",""
"7024459","8.1997","0.0022","9.3759","0.0023","8.424","0.0023","90","0","93.1848","0.007","90","0","646.6","0.3","125.15","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 N2 O4 Zn -","- C5 H4 N2 O4 Zn -","- C20 H16 N8 O16 Zn4 -","4","1","","Martins, Gesley A. V.; Byrne, Peter J.; Allan, Phoebe; Teat, Simon J.; Slawin, Alexandra M. Z.; Li, Yang; Morris, Russell E.","The use of ionic liquids in the synthesis of zinc imidazolate frameworks.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1758","1762","10.1039/b917348j","","","0.71075","MoKα","","0.0559","0.0526","","","0.1536","0.1648","","","","","","1.258","","","","has coordinates","179949","2020-10-21","18:00:00",""
"7024497","9.4157","0.0002","12.9206","0.0003","17.6156","0.0005","90","","99.553","0.001","90","","2113.33","0.09","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H25 Fe Hg N S2 -","- C22 H25 Fe Hg N S2 -","- C88 H100 Fe4 Hg4 N4 S8 -","4","1","","Singh, Nanhai; Kumar, Abhinav; Prasad, Rajendra; Molloy, Kieran C.; Mahon, Mary F.","Syntheses, crystal, photoluminescence and electrochemical investigation of some new phenylmercury(II) dithiocarbamate complexes involving ferrocene.","Dalton transactions (Cambridge, England : 2003)","2010","39","10","2667","2675","10.1039/b917871f","","","0.71073","MoKα","","0.1165","0.0954","","","0.2455","0.2583","","","","","","1.108","","","","has coordinates","179949","2020-10-21","18:00:00",""
"7024509","17.8197","0.0014","8.146","0.0006","19.6976","0.0015","90","","97.51","0.001","90","","2834.8","0.4","100","2","100","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C22 H31 F6 I2 N4 Ni O P -","- C22 H31 F6 I2 N4 Ni O P -","- C88 H124 F24 I8 N16 Ni4 O4 P4 -","4","1","","Santana, M. Dolores; García-Bueno, Rocío; García, Gabriel; Pérez, José; García, Luis; Monge, Miguel; Laguna, Antonio","Luminescence of five-coordinated nickel(ii) complexes with substituted-8-hydroxyquinolines and macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1797","1806","10.1039/b917994a","","","0.71073","MoKα","","0.1054","0.0864","","","0.1636","0.1714","","","","","","1.219","","","","has coordinates","179950","2020-10-21","18:00:00",""
"7024678","8.9894","0.0007","14.134","0.0006","17.5045","0.0019","90","","100.164","0.008","90","","2189.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C30 H62 Gd2 O16 -","- C30 H54 Gd2 O16 -","- C60 H108 Gd4 O32 -","2","0.5","","Cañadillas-Delgado, Laura; Fabelo, Oscar; Pasán, Jorge; Delgado, Fernando S.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Intramolecular ferro- and antiferromagnetic interactions in oxo-carboxylate bridged digadolinium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","31","7286","7293","10.1039/b920156d","","x-ray","0.71073","MoKα","","0.0696","0.0402","","","0.0747","0.087","","","","","","1.045","","","","has coordinates","179951","2020-10-21","18:00:00",""
"7024679","8.95","0.0003","14.1933","0.0004","17.8465","0.0007","90","","100.754","0.001","90","","2227.23","0.13","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C36 H38 Gd2 O16 S6 -","- C36 H30 Gd2 O16 S6 -","- C72 H60 Gd4 O32 S12 -","2","0.5","","Cañadillas-Delgado, Laura; Fabelo, Oscar; Pasán, Jorge; Delgado, Fernando S.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Intramolecular ferro- and antiferromagnetic interactions in oxo-carboxylate bridged digadolinium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","31","7286","7293","10.1039/b920156d","","x-ray","0.71073","MoKα","","0.0929","0.0621","","","0.156","0.1877","","","","","","1.136","","","","has coordinates","179951","2020-10-21","18:00:00",""
"7025038","10.106","0.005","28.737","0.009","10.433","0.005","90","","94.89","0.04","90","","3019","2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Decyl(tricyclohexyl)phosphonium terafluoroborate","Decyl(tricyclohexyl)phosphonium terafluoroborate","","- C28 H54 B F4 P -","- C28 H54 B F4 P -","- C112 H216 B4 F16 P4 -","4","1","","Ermolaev, Vadim; Miluykov, Vasiliy; Rizvanov, Ildar; Krivolapov, Dmitriy; Zvereva, Elena; Katsyuba, Sergey; Sinyashin, Oleg; Schmutzler, Reinhard","Phosphonium ionic liquids based on bulky phosphines: synthesis, structure and properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","23","5564","5571","10.1039/b924636c","","x-ray","0.71069","MoKα","","0.1834","0.07","","","0.178","0.229","","","","","","1.006","","","","has coordinates,has disorder","179955","2020-10-21","18:00:00",""
"7025132","10.1462","0.0005","27.7307","0.0013","10.8821","0.0004","90","","103.885","0.004","90","","2972.3","0.2","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C26 H18 Cl6 Co N4 O4 -","- C26 H18 Cl6 Co N4 O4 -","- C104 H72 Cl24 Co4 N16 O16 -","4","1","","Kawade, Vitthal A.; Kumbhar, Avinash S.; Naik, Devidas B.; Butcher, Ray J.","Synthesis, characterization and pulse radiolysis of cobalt(II) complexes of 2-picolinate and polypyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","24","5664","5675","10.1039/b925220g","","","0.71073","MoKα","","0.1397","0.0794","","","0.1697","0.1891","","","","","","1.025","","","","has coordinates","179956","2020-10-21","18:00:00",""
"7025830","14.9111","0.0007","17.6801","0.0008","15.0706","0.0006","90","","115.165","0.003","90","","3596","0.3","200","","200","","","","","","","","from RMITU","7","P 1 21/a 1","-P 2yab","14","","","","- C40 H29 F4 Fe I P2 Pd -","- C40 H29 F4 Fe I P2 Pd -","- C160 H116 F16 Fe4 I4 P8 Pd4 -","4","1","","Bennett, Martin A.; Bhargava, Suresh K.; Bond, Alan M.; Burgar, Iko M.; Guo, Si-Xuan; Kar, Gopa; Privér, Steven H; Wagler, Jörg; Willis, Anthony C.; Torriero, Angel A. J.","Synthesis, X-ray structure and electrochemical oxidation of palladium(II) complexes of ferrocenyldiphenylphosphine.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","9079","9090","10.1039/c0dt00016g","","","0.71073","MoKα","","0.1078","0.06","","0.1778","0.1543","0.1778","","","","","","0.9123","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7025981","13.1977","0.0002","16.0704","0.0003","13.9234","0.0003","90","","113.253","0.001","90","","2713.17","0.09","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C58 H80 N4 O2 P2 Sr -","- C58 H80 N4 O2 P2 Sr -","- C116 H160 N8 O4 P4 Sr2 -","2","0.5","","Barrett, Anthony G. M.; Crimmin, Mark R.; Hill, Michael S.; Hitchcock, Peter B.; Lomas, Sarah L.; Mahon, Mary F.; Procopiou, Panayiotis A.","Carbodiimide insertion reactions of homoleptic heavier alkaline earth amides and phosphides.","Dalton transactions (Cambridge, England : 2003)","2010","39","31","7393","7400","10.1039/c0dt00089b","","","0.71073","MoKα","","0.0514","0.034","","","0.0747","0.0835","","","","","","1.046","","","","has coordinates,has disorder","179965","2020-10-21","18:00:00",""
"7026189","14.59","0.003","11.6058","0.0017","14.852","0.003","90","","113.745","0.016","90","","2302","0.8","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H18 Bi N3 O2 Se3 -","- C18 H18 Bi N3 O2 Se3 -","- C72 H72 Bi4 N12 O8 Se12 -","4","1","","Sharma, Rakesh K.; Kedarnath, G.; Jain, Vimal K.; Wadawale, Amey; Nalliath, Manoj; Pillai, C. G. S.; Vishwanadh, B.","2-Pyridyl selenolates of antimony and bismuth: Synthesis, characterization, structures and their use as single source molecular precursor for the preparation of metal selenide nanostructures and thin films.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8779","8787","10.1039/c0dt00263a","","","0.71073","MoKα","","0.2031","0.0536","","","0.111","0.1546","","","","","","0.925","","","","has coordinates","179967","2020-10-21","18:00:00",""
"7026732","7.6595","0.001","11.7903","0.0014","13.1806","0.0019","90","","101.426","0.004","90","","1166.7","0.3","123.1","","123","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C8 H9 Br Cl2 N O V -","- C8 H9 Br Cl2 N O V -","- C32 H36 Br4 Cl8 N4 O4 V4 -","4","1","","Nishina, Masafumi; Moriuchi, Toshiyuki; Hirao, Toshikazu","Synthesis of (arylimido)vanadium complexes and their application for oxidative coupling reactions of silyl enol ether derivatives.","Dalton transactions (Cambridge, England : 2003)","2010","39","41","9936","9940","10.1039/c0dt00633e","","","0.71075","MoKα","","","0.0484","","","","0.1275","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026909","12.602","0.003","14.201","0.013","16.0894","0.0014","90","","94.104","0.012","90","","2872","3","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","mu-malonate-bis(1,10phenanthroline)copper(ii)- tetrabromorhenium(IV) - water (1/0.25)","μ-malonate-bis(1,10phenanthroline)copper(II)-tetrabromorhenium(IV) - water (1/0.25)","","- C27 H18.5 Br4 Cu N4 O4.25 Re -","- C27 H18 Br4 Cu N4 O4.25 Re -","- C108 H72 Br16 Cu4 N16 O17 Re4 -","4","1","","Cuevas, Alicia; Kremer, Carlos; Suescun, Leopoldo; Mombrú, Alvaro W; Lloret, Francesc; Julve, Miguel; Faus, Juan","Magneto-structural studies on heterobimetallic malonate-bridged M(II)Re(IV) complexes (M = Mn, Co, Ni and Cu).","Dalton transactions (Cambridge, England : 2003)","2010","39","47","11403","11411","10.1039/c0dt00879f","","","0.71073","MoKα","","0.0864","0.0465","","","0.1216","0.139","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027183","10.693","0.006","13.656","0.007","11.749","0.006","90","","93.41","0.02","90","","1712.6","1.6","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H18 I2 N2 Pt -","- C14 H18 I2 N2 Pt -","- C56 H72 I8 N8 Pt4 -","4","1","","Biagini, Marina Cingi; Ferrari, Maura; Lanfranchi, Maurizio; Marchiò, Luciano; Pellinghelli, Maria Angela","Chirality in mononuclear square planar complexes","Journal of the Chemical Society, Dalton Transactions","1999","","10","1575","","10.1039/a808940j","","","0.71073","MoKα","","0.0725","0.0455","","","0.1233","0.1315","","","","","","0.983","","","","has coordinates","179977","2020-10-21","18:00:00",""
"7027315","12.094","0.005","16.45","0.003","14.604","0.005","90","","90.2","0.02","90","","2905.4","1.6","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C33 H28 Cl O P2 Rh -","- C33 H28 Cl O P2 Rh -","- C132 H112 Cl4 O4 P8 Rh4 -","4","1","","Dilworth, Jonathan R.; Zheng, Yifan; Vaughan Griffiths, D.","Binuclear complexes with ligands based on the 2,6-bis(diphenylphosphinomethyl)benzene framework. Syntheses and crystal structures of [Ir2Cl2(μ-CO){2,6-(Ph2PCH2)2C6H3S}2]·2CH2Cl2, [Ni2{2,6-(Ph2PCH2)2C6H4S}2][PF6]2·Et2O·0.5CH2Cl2 and [Rh2Cl2(CO)2{1,3-(Ph2PCH2)2C6H4}2]","Journal of the Chemical Society, Dalton Transactions","1999","","11","1877","","10.1039/a901291e","","","0.71073","MoKα","","0.1729","0.0609","","0.1934","0.1496","","","","0.957","1.09","1.09","","","","","has coordinates","179979","2020-10-21","18:00:00",""
"7027407","13.24","0.01","13.79","0.02","11.2","0.01","90","","112.63","0.07","90","","1887","4","223","2","223","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H21 Cr O9 -","- C20 H18 Cr O9 -","- C80 H72 Cr4 O36 -","4","1","","Braga, Dario; Benedi, Oscar; Maini, Lucia; Grepioni, Fabrizia","Organometallic crystal engineering with multidentate building blocks and template guest size effect. Supra-anionic organic frameworks obtained from cyclobutane-1,2,3,4-tetracarboxylic and trans-acotinic acids †","Journal of the Chemical Society, Dalton Transactions","1999","","15","2611","","10.1039/a902258i","","","0.71069","MoKα","","0.4195","0.086","","","0.1551","0.2616","","","0.926","","","0.926","","","","has coordinates","179980","2020-10-21","18:00:00",""
"7027633","7.3939","0.0001","16.1227","0.0003","8.5698","0.0002","90","","114.381","0.001","90","","930.5","0.03","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H32 Cu N10 -","- C14 H32 Cu N10 -","- C28 H64 Cu2 N20 -","2","0.5","","Lu, Tian-Huey; Lin, Shih-Chi; Aneetha, Halikhedkar; Panneerselvam, Kaliyamoorthy; Chung, Chung-Sun","Copper(II) complexes of C-meso-1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane: syntheses, structures and properties †>","Journal of the Chemical Society, Dalton Transactions","1999","","19","3385","","10.1039/a905079e","","","0.71073","MoKα","","0.0567","0.0396","","","0.1004","0.109","","","","","","1.028","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7027671","11.238","0.0001","13.5519","0.0002","14.5787","0.0003","90","","94.497","0.001","90","","2213.45","0.06","293","2","293","2","","","","","","","-","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H20 Co N2 O5 -","- C26 H20 Co N2 O5 -","- C104 H80 Co4 N8 O20 -","4","1","","Plater, M. John; Foreman, Mark R. St. J.; Coronado, Eugenio; Gómez-García, Carlos J.; Slawin, Alexandra M. Z.","Crystallisation of H3BTC, H3TPO or H2SDA with MII (M = Co, Mn or Zn) and 2,2′-bipyridyl: design and control of co-ordination architecture, and magnetic properties (H3BTC = benzene-1,3,5-tricarboxylic acid, H3TPO = tris(4-carboxylphenyl)phosphine oxide, H2SDA = cis-stilbene-4,4′-dicarboxylic acid) †","Journal of the Chemical Society, Dalton Transactions","1999","","23","4209","","10.1039/a905332h","","","0.71073","MoKα","","0.0493","0.0327","","0.1402","0.0781","","","","1.047","1.108","1.108","","","","","has coordinates","179982","2020-10-21","18:00:00",""
"7027689","8.91","0.012","26.75","0.03","9.245","0.009","90","","117.61","0.01","90","","1953","4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","L3","","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C84 H104 N8 O8 -","4","1","","Iveson, Peter B.; Drew, Michael G. B.; Hudson, Michael J.; Madic, Charles","Structural studies of lanthanide complexes with new hydrophobic malonamide solvent extraction agents †","Journal of the Chemical Society, Dalton Transactions","1999","","20","3605","","10.1039/a905579g","","","0.71073","MoKα","","0.0699","0.0527","","","0.1465","0.1596","","","","","","1.081","","","","has coordinates","179982","2020-10-21","18:00:00",""
"7028020","10.079","0.0002","22.3242","0.0005","14.4355","0.0002","90","","90.372","0.002","90","","3248","0.11","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H38 Eu F9 O19 -","- C18 H38 Eu F9 O19 -","- C72 H152 Eu4 F36 O76 -","4","1","","Steed, Jonathan W.; McCool, Brian J.; Junk, Peter C.","Hydrogen bonded polymers and oligomers from metal salts and 18-crown-6","Journal of the Chemical Society, Dalton Transactions","1998","","20","3417","","10.1039/a805492d","","","0.7107","MoKα","","0.0314","0.0287","","","0.0747","0.0763","","","","","","1.073","","","","has coordinates","179986","2020-10-21","18:00:00",""
"7028021","9.9795","0.0003","22.4035","0.0008","14.3457","0.0004","90","","90.904","0.002","90","","3206.95","0.17","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H38 F9 O19 Y -","- C18 H26 F9 O19 Y -","- C72 H104 F36 O76 Y4 -","4","1","","Steed, Jonathan W.; McCool, Brian J.; Junk, Peter C.","Hydrogen bonded polymers and oligomers from metal salts and 18-crown-6","Journal of the Chemical Society, Dalton Transactions","1998","","20","3417","","10.1039/a805492d","","","0.7107","MoKα","","0.0688","0.057","","","0.1354","0.1433","","","","","","1.054","","","","has coordinates,has disorder","179986","2020-10-21","18:00:00",""
"7028173","24.56","0.004","18.455","0.011","25.187","0.005","90","","91.28","0.02","90","","11413","7","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C48 H88 N8 Na4 Sb4 -","- C48 H88 N8 Na4 Sb4 -","- C384 H704 N64 Na32 Sb32 -","8","2","","Bashall, Alan; Beswick, Michael A.; Harmer, Christopher N.; Hopkins, Alexander D.; McPartlin, Mary; Paver, Michael A.; Raithby, Paul R.; Wright, Dominic S.","Co-ordination of heavier alkali metals by polyimido antimony(III) ligands; syntheses and structures of [{Sb2(NC6H11)4}2M4] (M = Li or Na), Li[{(Me2N)Sb(μ-NC6H11)2}2Sb] and M[{(C6H11NH)Sb(μ-NC6H11)2}2Sb]·2thf (M = K or Rb)","Journal of the Chemical Society, Dalton Transactions","1998","","8","1389","","10.1039/a708496j","","","0.71069","MoKα","","0.2537","0.0764","","0.2516","0.1727","","","","1.003","1.134","1.134","","","","","has coordinates","179987","2020-10-21","18:00:00",""
"7028280","19.4933","0.0018","6.1948","0.0006","20.415","0.002","90","","96.986","0.009","90","","2447","0.4","296","2","296","2","","","","","","","synthesys","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H31 N2 Ni O2 -","- C28 H31 N2 Ni O2 -","- C112 H124 N8 Ni4 O8 -","4","1","","Ghorai, Samir; Mukherjee, Chandan","Effect of ligand substituent on the reactivity of Ni(II) complexes towards oxygen.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","394","397","10.1039/c3dt52072b","","x-ray","0.71073","MoKα","","0.1117","0.0703","","","0.1306","0.156","","","","","","1.086","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028332","7.5216","0.0017","26.293","0.006","9.411","0.002","90","","111.488","0.004","90","","1731.8","0.7","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H23 N4 O11 V -","- C8 H23 N4 O11 V -","- C32 H92 N16 O44 V4 -","4","1","","Yu, Xian-Yong; Deng, Lin; Zheng, Baishu; Zeng, Bi-Rong; Yi, Pinggui; Xu, Xin","A spectroscopic study on the coordination and solution structures of the interaction systems between biperoxidovanadate complexes and the pyrazolylpyridine-like ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1524","1533","10.1039/c3dt51986d","","","0.71073","MoKα","","0.0735","0.0727","","","0.1357","0.1362","","","","","","1.003","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028636","12.235","0.0004","17.233","0.0008","13.4","0.0005","90","","96.642","0.002","90","","2806.37","0.19","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H34 Cl2 N2 O4 Ti -","- C29 H34 Cl2 N2 O4 Ti -","- C116 H136 Cl8 N8 O16 Ti4 -","4","1","","Hancock, Stuart L.; Gati, Rachel; Mahon, Mary F.; Tshuva, Edit Y.; Jones, Matthew D.","Heteroleptic titanium(IV) catecholato/piperazine systems and their anti-cancer properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1380","1385","10.1039/c3dt52583j","","","0.71073","MoKα","","0.1199","0.0684","","","0.1672","0.2017","","","","","","1.069","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7028738","11.5763","0.0005","12.1434","0.0005","14.4334","0.0006","90","","107.456","0.003","90","","1935.54","0.14","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C21 H17 Au Cl N2 P -","- C21 H17 Au Cl N2 P -","- C84 H68 Au4 Cl4 N8 P4 -","4","1","","Sarcher, Christian; Farsadpour, Saeid; Taghizadeh Ghoochany, Leila; Sun, Yu; Thiel, Werner R.; Roesky, Peter W.","Gold(i) complexes with heteroaryl phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2397","2405","10.1039/c3dt52893f","","","0.71073","MoKα","","0.0331","0.0259","","","0.0574","0.0592","","","","","","1.012","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028896","14.8631","0.0007","9.4639","0.0003","16.6281","0.0009","90","","106.845","0.004","90","","2238.6","0.18","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C15 H25 O6 P Si2 W -","- C15 H25 O6 P Si2 W -","- C60 H100 O24 P4 Si8 W4 -","4","1","","Streubel, Rainer; Kyri, Andreas Wolfgang; Duan, Lili; Schnakenburg, Gregor","Synthesis of Li/OR phosphinidenoid complexes: on the evidence for intramolecular O-Li donation and the effect of cation encapsulation.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2088","2097","10.1039/c3dt52269e","","","0.71073","MoKα","","0.0314","0.0222","","","0.0485","0.0499","","","","","","0.927","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7029859","13.6662","0.0003","12.2444","0.0002","17.0887","0.0004","90","","108.84","0.002","90","","2706.33","0.1","140","2","140","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C27 H34 Cl2 N2 O Ru -","- C27 H34 Cl2 N2 O Ru -","- C108 H136 Cl8 N8 O4 Ru4 -","4","1","","Rouen, Mathieu; Borré, Etienne; Falivene, Laura; Toupet, Loic; Berthod, Mikaël; Cavallo, Luigi; Olivier-Bourbigou, Hélène; Mauduit, Marc","Cycloalkyl-based unsymmetrical unsaturated (U2)-NHC ligands: flexibility and dissymmetry in ruthenium-catalysed olefin metathesis.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7044","7049","10.1039/c4dt00142g","","","0.71073","MoKα","","0.0487","0.0304","","","0.0702","0.0734","","","","","","0.932","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7030195","15.7565","0.0002","26.131","0.0004","26.5276","0.0004","90","","105.663","0.001","90","","10516.7","0.3","160","2","160","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C43.2 H51 Ce Cl2 N12 Ni O15.8 -","- C43.2 H43.5 Ce Cl2 N12 Ni O15.8 -","- C345.6 H348 Ce8 Cl16 N96 Ni8 O126.4 -","8","2","","Polyzou, Christina D.; Nikolaou, Helen; Papatriantafyllopoulou, Constantina; Psycharis, Vassilis; Terzis, Aris; Raptopoulou, Catherine P.; Escuer, Albert; Perlepes, Spyros P.","Employment of methyl 2-pyridyl ketone oxime in 3d/4f-metal chemistry: dinuclear nickel(II)/lanthanide(III) species and complexes containing the metals in separate ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13755","13764","10.1039/c2dt31928d","","","1.54178","CuKα","","0.0673","0.0573","","","0.1493","0.158","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030196","15.7617","0.0003","26.1482","0.0005","26.3339","0.0005","90","","105.307","0.001","90","","10468.2","0.3","160","2","160","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C43.2 H51 Cl2 Dy N12 Ni O15.8 -","- C43.2 H43.5 Cl2 Dy N12 Ni O15.8 -","- C345.6 H348 Cl16 Dy8 N96 Ni8 O126.4 -","8","2","","Polyzou, Christina D.; Nikolaou, Helen; Papatriantafyllopoulou, Constantina; Psycharis, Vassilis; Terzis, Aris; Raptopoulou, Catherine P.; Escuer, Albert; Perlepes, Spyros P.","Employment of methyl 2-pyridyl ketone oxime in 3d/4f-metal chemistry: dinuclear nickel(II)/lanthanide(III) species and complexes containing the metals in separate ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13755","13764","10.1039/c2dt31928d","","","1.5418","CuKα","","0.1008","0.0798","","","0.2123","0.2336","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030410","27.695","0.008","15.054","0.005","32.739","0.011","90","0.0014","102.696","0.0016","90","0.0014","13316","7","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C78 H84 O6 Si3 -","- C78 H84 O6 Si3 -","- C624 H672 O48 Si24 -","8","2","","Furukawa, Shunsuke; Kobayashi, Junji; Kawashima, Takayuki","Application of the sila-Friedel-Crafts reaction to the synthesis of π-extended silole derivatives and their properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","39","9329","9336","10.1039/c0dt00136h","","","0.7107","MoKα","","0.1983","0.1509","","","0.3891","0.4583","","","","","","1.593","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030766","18.261","0.001","8.2488","0.0005","19.086","0.001","90","","117.836","0.003","90","","2542.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H29 Cl2 Co N5 O9 -","- C20 H29 Cl2 Co N5 O9 -","- C80 H116 Cl8 Co4 N20 O36 -","4","1","","Panja, Anangamohan","Exclusive selectivity of multidentate ligands independent on the oxidation state of cobalt: influence of steric hindrance on dioxygen binding and phenoxazinone synthase activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7760","7770","10.1039/c3dt53546k","","","0.71073","MoKα","","0.1399","0.0995","","","0.2549","0.284","","","","","","1.044","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7031129","12.5985","0.0007","22.695","0.0011","12.9265","0.0007","90","","110.847","0.002","90","","3454","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C37 H43 Cl2 N O3 -","- C37 H43 Cl2 N O3 -","- C148 H172 Cl8 N4 O12 -","4","1","","Chapurina, Yulia; Klitzke, Joice; Casagrande, Jr, Osvaldo de L; Awada, Mouhamad; Dorcet, Vincent; Kirillov, Evgueni; Carpentier, Jean-François","Scandium versus yttrium{amino-alkoxy-bis(phenolate)} complexes for the stereoselective ring-opening polymerization of racemic lactide and β-butyrolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14322","14333","10.1039/c4dt01206b","","x-ray","0.71073","MoKα","","0.1087","0.0581","","","0.1343","0.1521","","","","","","1.033","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031254","8.456","0.003","15.508","0.005","9.731","0.003","90","","108.424","0.004","90","","1210.7","0.7","103.1","","103.15","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H32 N8 -","- C28 H32 N8 -","- C56 H64 N16 -","2","0.5","","Breedlove, B. K.; Kandel, R.; Ahsan, H. Md; Yamashita, M.","4-Pyridyl-substituted azacycloalkanes with multiple donor sites prepared via a solvent-free, one-pot method for use in electrocatalysts.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7683","7686","10.1039/c4dt00240g","","","0.71075","MoKα","","","0.0395","","","","0.1126","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032231","9.4162","0.0008","14.2496","0.0009","11.872","0.0012","90","","105.124","0.004","90","","1537.8","0.2","123","","123","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C34 H40 N6 O4 -","- C34 H40 N6 O4 -","- C68 H80 N12 O8 -","2","0.5","","Mikata, Yuji; Takeuchi, Saaya; Higuchi, Eri; Ochi, Ayaka; Konno, Hideo; Yanai, Kazuma; Sato, Shin-Ichiro","Zinc-specific intramolecular excimer formation in TQEN derivatives: fluorescence and zinc binding properties of TPEN-based hexadentate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16377","16386","10.1039/c4dt01847h","","","0.7107","MoKα","","","0.0463","","","","0.1185","","","","","","1.159","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7033235","20.546","0.002","15.8473","0.0017","23.647","0.002","90","","104.361","0.012","90","","7458.8","1.3","200","2","200","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C69 H76 Cl6 Mn3 N12 O13 -","- C69 H76 Cl6 Mn3 N12 O13 -","- C276 H304 Cl24 Mn12 N48 O52 -","4","1","","Comba, Peter; Rudolf, Henning; Wadepohl, Hubert","Synthesis and transition metal coordination chemistry of a novel hexadentate bispidine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2724","2736","10.1039/c4dt03262d","","x-ray","0.71073","MoKα","","0.1033","0.0473","","","0.1073","0.119","","","","","","0.795","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7033290","8.5838","0.0003","15.2046","0.0007","17.8716","0.0006","90","","103.386","0.003","90","","2269.11","0.15","100","2","100","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","C5, CuBrtpyps","Bromo tris(2-pyridyl)phosphinesulfide copper(I)","","- C20 H19.5 Br Cu N5.5 P S -","- C20 H19.5 Br Cu N5.5 P S -","- C80 H78 Br4 Cu4 N22 P4 S4 -","4","1","","Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Rau, Nicholas; Yersin, Hartmut; Sundermeyer, Jörg","A new class of luminescent Cu(i) complexes with tripodal ligands - TADF emitters for the yellow to red color range.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8506","8520","10.1039/c4dt02631d","","","0.71069","MoKα","","0.076","0.0522","","","0.1145","0.1196","","","","","","1.085","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033292","8.7685","0.0003","15.6075","0.0005","18.0144","0.0008","90","","104.011","0.003","90","","2392","0.16","100","2","100","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","C7, CuItpypse","Iodo tris(2-pyridyl)phosphineselenide copper(I)","","- C20 H19.5 Cu I N5.5 P Se -","- C20 H19.5 Cu I N5.5 P Se -","- C80 H78 Cu4 I4 N22 P4 Se4 -","4","1","","Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Rau, Nicholas; Yersin, Hartmut; Sundermeyer, Jörg","A new class of luminescent Cu(i) complexes with tripodal ligands - TADF emitters for the yellow to red color range.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8506","8520","10.1039/c4dt02631d","","","0.71069","MoKα","","0.044","0.0298","","","0.0592","0.0613","","","","","","0.865","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033533","10.425","0.004","21.35","0.006","10.573","0.003","90","","117.211","0.008","90","","2092.8","1.2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","pyrimidine_mono_CN_BPh2","","","- C25 H17 B Cl N3 O -","- C25 H17 B Cl N3 O -","- C100 H68 B4 Cl4 N12 O4 -","4","1","","Kubota, Yasuhiro; Kasatani, Kouhei; Takai, Hiroki; Funabiki, Kazumasa; Matsui, Masaki","Strategy to enhance solid-state fluorescence and aggregation-induced emission enhancement effect in pyrimidine boron complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3326","3341","10.1039/c4dt03318c","","","0.71075","MoKα","","0.0782","0.0549","","","0.1432","0.1665","","","","","","1.062","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7034447","11.1101","0.0008","17.9059","0.0013","14.2992","0.001","90","","102.828","0.001","90","","2773.6","0.3","295","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C28 H21 Cl N10 O Zn2 -","- C28 H21 Cl N10 O Zn2 -","- C112 H84 Cl4 N40 O4 Zn8 -","4","1","","Shu, Yu-Bo; Tu, Na; Shi, Hua-Tian; Yin, Ye-Gao; Liu, Wei-Sheng","Photodimerization behaviour of 1D-3D Zn(ii) coordination polymers with tetrazolyl styrylpyridine.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7131","7134","10.1039/c5dt00614g","","","0.71073","MoKα","","0.0589","0.0474","","","0.1124","0.1182","","","","","","1.051","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034933","15.932","0.001","18.5172","0.0006","36.597","0.002","90","","98.905","0.006","90","","10666.6","1","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C48 H40 Cl N7 O10 -","- C48 H40 Cl N7 O10 -","- C384 H320 Cl8 N56 O80 -","8","2","","Hoque, Md Najbul; Gogoi, Abhijit; Das, Gopal","Anion complexation with cyanobenzoyl substituted first and second generation tripodal amide receptors: crystal structure and solution studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15220","15231","10.1039/c5dt00369e","","","0.71073","MoKα","","0.2866","0.0977","","","0.2061","0.2438","","","","","","0.987","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035390","13.2087","0.0009","7.5055","0.0005","24.8936","0.0018","90","","104.4","0.005","90","","2390.4","0.3","100","","100","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H22 Br N4 O3 Re -","- C25 H22 Br N4 O3 Re -","- C100 H88 Br4 N16 O12 Re4 -","4","1","","Platel, Rachel H.; Coogan, Michael P.; Platts, James A.","Stereoelectronic control of photophysics: red and yellow axial and equatorial anomers of a rhenium-quinoline complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11700","11704","10.1039/c5dt02136g","","","0.71073","MoKα","","0.0442","0.0281","","","0.0545","0.0598","","","","","","1.023","","","","has coordinates","143474","2020-10-21","18:00:00",""
"7035661","20.1669","0.0015","13.19","0.003","29.964","0.007","90","","108.603","0.011","90","","7554","3","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C69 H108 Cl3 Fe N6 O12 -","- C69 H108 Cl3 Fe N6 O12 -","- C276 H432 Cl12 Fe4 N24 O48 -","4","1","","Atzori, Matteo; Artizzu, Flavia; Marchiò, Luciano; Loche, Danilo; Caneschi, Andrea; Serpe, Angela; Deplano, Paola; Avarvari, Narcis; Mercuri, Maria Laura","Switching-on luminescence in anilate-based molecular materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15786","15802","10.1039/c5dt02241j","","","0.71073","MoKα","","0.1261","0.0699","","","0.142","0.157","","","","","","1.027","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035663","20.219","0.0018","13.162","0.003","29.914","0.005","90","","108.729","0.01","90","","7539","2","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C69 H108 Cl3 Cr N6 O12 -","- C69 H108 Cl3 Cr N6 O12 -","- C276 H432 Cl12 Cr4 N24 O48 -","4","1","","Atzori, Matteo; Artizzu, Flavia; Marchiò, Luciano; Loche, Danilo; Caneschi, Andrea; Serpe, Angela; Deplano, Paola; Avarvari, Narcis; Mercuri, Maria Laura","Switching-on luminescence in anilate-based molecular materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15786","15802","10.1039/c5dt02241j","","","0.71073","MoKα","","0.1342","0.0901","","","0.2062","0.2278","","","","","","1.076","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035665","7.0389","0.0013","17.051","0.003","7.1055","0.0011","90","","102.389","0.015","90","","832.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C7 H Cl K N O4 -","- C7 H Cl K N O4 -","- C28 H4 Cl4 K4 N4 O16 -","4","1","","Atzori, Matteo; Artizzu, Flavia; Marchiò, Luciano; Loche, Danilo; Caneschi, Andrea; Serpe, Angela; Deplano, Paola; Avarvari, Narcis; Mercuri, Maria Laura","Switching-on luminescence in anilate-based molecular materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15786","15802","10.1039/c5dt02241j","","","0.71073","MoKα","","0.0663","0.0447","","","0.1043","0.1112","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035667","18.42805","","5.47254","","9.28972","","90","","90.365","","90","","936.833","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Cs (Co P O4)","","- Co Cs O4 P -","- Co Cs O4 P -","- Co8 Cs8 O32 P8 -","8","2","","Henry, P.F.; Weller, M.T.; Hughes, E.M.","Synthesis and structural characterisation of Cs Co P O4 - ABW","Journal of the Chemical Society. Dalton Transactions (2000- )","2000","2000","","555","558","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035751","13.1187","","9.8552","","6.0295","","90","","103.432","","90","","758.215","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Cu4 (O H0.0367 D0.9633)6 (S O4)","","- Cu4 D5.7798 H0.2202 O10 S -","- Cu4 D5.78 H0.22 O10 S -","- Cu16 D23.12 H0.88 O40 S4 -","4","1","","Vilminot, S.; Andre, G.; Richard-Plouet, M.; Swierczynski, D.; Bouree-Vigneron, F.; Kurmoo, M.","Nuclear and magnetic structures and magnetic properties of synthetic brochantite, Cu4 (O H)6 S O4","DALTON TRANSACTIONS (CAMBRIDGE, ENGLAND : 2003)","2006","2006","","1455","1462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035752","13.1187","","9.8552","","6.0295","","90","","103.432","","90","","758.215","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Cu4 (O H0.0217 D0.9783)6 (S O4)","","- Cu4 D5.8698 H0.1302 O10 S -","- Cu4 D5.87 H0.13 O10 S -","- Cu16 D23.48 H0.52 O40 S4 -","4","1","","Vilminot, S.; Richard-Plouet, M.; Swierczynski, D.; Andre, G.; Bouree-Vigneron, F.; Kurmoo, M.","Nuclear and magnetic structures and magnetic properties of synthetic brochantite, Cu4 (O H)6 S O4","DALTON TRANSACTIONS (CAMBRIDGE, ENGLAND : 2003)","2006","2006","","1455","1462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035867","16.74","0.0001","16.555","0.0001","19.476","0.0001","90","","109.727","0.001","90","","5080.63","0.06","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C57 H70 F N4 P2 Ru -","- C57 H70 F N4 P2 Ru -","- C228 H280 F4 N16 P8 Ru4 -","4","1","","Cybulski, Mateusz K.; Riddlestone, Ian M.; Mahon, Mary F.; Woodman, Timothy J.; Whittlesey, Michael K.","Stoichiometric and catalytic C-F bond activation by the trans-dihydride NHC complex [Ru(IEt2Me2)2(PPh3)2H2] (IEt2Me2 = 1,3-diethyl-4,5-dimethylimidazol-2-ylidene).","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19597","19605","10.1039/c5dt01996f","","","0.71073","MoKα","","0.0582","0.037","","","0.0767","0.0851","","","","","","1.033","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036125","13.418","0.001","8.254","0.003","15.226","0.0016","90","","111.383","0.003","90","","1570.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","trans,cis‒[RuCl2(CO)2(cppH-Np)]","","- C12 H9 Cl2 N3 O5 Ru -","- C12 H9 Cl2 N3 O5 Ru -","- C48 H36 Cl8 N12 O20 Ru4 -","4","1","","Battistin, Federica; Balducci, Gabriele; Demitri, Nicola; Iengo, Elisabetta; Milani, Barbara; Alessio, Enzo","(15)N NMR spectroscopy unambiguously establishes the coordination mode of the diimine linker 2-(2'-pyridyl)pyrimidine-4-carboxylic acid (cppH) in Ru(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15671","15682","10.1039/c5dt02361k","","","0.7","synchrotron","","0.0475","0.0428","","","0.1182","0.1239","","","","","","1.052","","","","has coordinates","161310","2020-10-21","18:00:00",""
"7036149","16.0641","0.0004","21.0442","0.0005","22.9542","0.0016","90","","107.834","0.008","90","","7386.9","0.7","123","","123","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C62 H92 B Cu2 F4 N10 O10 -","- C62 H92 B Cu2 F4 N10 O10 -","- C248 H368 B4 Cu8 F16 N40 O40 -","4","1","","De Silva, D Nirosha T; Jameson, Geoffrey B.; Pannu, Ajay Pal Singh; Pouhet, Raphëlle; Wenzel, Marco; Plieger, Paul G.","Piperazine linked salicylaldoxime and salicylaldimine-based dicopper(ii) receptors for anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15949","15959","10.1039/c5dt02551f","","","1.54187","CuKα","","0.1255","0.0866","","","0.2517","0.2806","","","","","","1.045","","","","has coordinates,has disorder","161419","2020-10-21","18:00:00",""
"7036511","7.5792","0.0005","23.0612","0.0013","23.4845","0.0015","90","","90.527","0.002","90","","4104.6","0.4","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H22 Cu Fe N2 O2 -","- C25 H22 Cu Fe N2 O2 -","- C200 H176 Cu8 Fe8 N16 O16 -","8","2","","Novoa, Néstor; Roisnel, Thierry; Hamon, Paul; Kahlal, Samia; Manzur, Carolina; Ngo, Hoang Minh; Ledoux-Rak, Isabelle; Saillard, Jean-Yves; Carrillo, David; Hamon, Jean-René","Four-coordinate nickel(ii) and copper(ii) complex based ONO tridentate Schiff base ligands: synthesis, molecular structure, electrochemical, linear and nonlinear properties, and computational study.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18019","18037","10.1039/c5dt02822a","","x-ray","0.71073","MoKα","","0.0763","0.0591","","","0.1438","0.1593","","","","","","1.035","","","","has coordinates","182257","2020-10-21","18:00:00",""
"7036672","22.251","0.002","17.9388","0.0013","23.884","0.003","90","","116.157","0.004","90","","8557.1","1.5","173","2","173","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","[Cu(BPEP)](BArF4)","Bis(phosphaethenyl)pyridine copper(I)","","- C87 H83 B Cu F24 N P2 -","- C87 H83 B Cu F24 N P2 -","- C348 H332 B4 Cu4 F96 N4 P8 -","4","1","","Nakajima, Yumiko; Tsuchimoto, Takahiro; Chang, Yung-Hung; Takeuchi, Katsuhiko; Ozawa, Fumiyuki","Reactions of [Cu(X)(BPEP-Ph)] (X = PF6, SbF6) with silyl compounds. Cooperative bond activation involving non-coordinating anions.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2079","2084","10.1039/c5dt03166d","","","0.7107","MoKα","","0.1419","0.0985","","","0.2337","0.2592","","","","","","1.259","","","","has coordinates","176092","2020-10-21","18:00:00",""
"7036705","14.9033","0.0005","12.3384","0.0004","15.0986","0.0004","90","","105.414","0.002","90","","2676.51","0.15","173","1","173","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H17 F5 N2 Pt S2 -","- C32 H17 F5 N2 Pt S2 -","- C128 H68 F20 N8 Pt4 S8 -","4","1","","Berenguer, J. R.; Pichel, J. G.; Giménez, N; Lalinde, E.; Moreno, M. T.; Piñeiro-Hermida, S","Luminescent pentafluorophenyl-cycloplatinated complexes: synthesis, characterization, photophysics, cytotoxicity and cellular imaging.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18839","18855","10.1039/c5dt02721g","","x-ray","0.71073","MoKα","","0.0317","0.0262","","","0.0551","0.0571","","","","","","1.096","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037082","9.0933","0.0003","11.0308","0.0004","10.0368","0.0004","90","","94.676","0.001","90","","1003.4","0.06","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H8 Cl N S -","- C11 H8 Cl N S -","- C44 H32 Cl4 N4 S4 -","4","1","","Peel, Andrew J.; Hedidi, Madani; Bentabed-Ababsa, Ghenia; Roisnel, Thierry; Mongin, Florence; Wheatley, Andrew E. H.","Extending motifs in lithiocuprate chemistry: unexpected structural diversity in thiocyanate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6094","6104","10.1039/c5dt03882k","","x-ray","0.71073","MoKα","","0.0325","0.0287","","","0.0716","0.0741","","","","","","1.01","","","","has coordinates,has disorder","181729","2020-10-21","18:00:00",""
"7037571","11.148","0.0001","23.5178","0.0004","16.5354","0.0003","90","","100.168","0.0008","90","","4267.11","0.11","200","","200","","","","","","","","Research School of Chemistry","6","P 1 21/a 1","-P 2yab","14","","","","- C39 H34 Au2 Cl8 N2 P2 -","- C39 H34 Au2 Cl8 N2 P2 -","- C156 H136 Au8 Cl32 N8 P8 -","4","1","","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","","0.077","0.067","","0.1796","0.1751","0.1796","","","","","","0.9959","","","","has coordinates","170872","2020-10-21","18:00:00",""
"7038015","22.5566","0.0009","15.2328","0.0002","13.6475","0.0005","90","","130.464","0.006","90","","3567.7","0.4","120","","120","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C35.9 N4 Ni O6 S2 -","- C35.9 N4 Ni O6 S2 -","- C143.6 N16 Ni4 O24 S8 -","4","1","","Roebuck, James W.; Turkington, Jennifer R.; Rogers, David M.; Bailey, Philip J.; Griffin, Violina; Fischmann, Adam J.; Nichol, Gary S.; Pelser, Max; Parsons, Simon; Tasker, Peter A.","Preorganized tridentate analogues of mixed hydroxyoxime/carboxylate nickel extractants.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3734","3742","10.1039/c5dt04288g","","","0.7107","MoKα","","0.0757","0.065","","0.1284","0.1231","0.1284","","","","","","1.3724","","","","has coordinates,has disorder","177872","2020-10-21","18:00:00",""
"7038393","8.7513","0.0007","9.839","0.0008","26.352","0.002","90","","95.003","0.001","90","","2260.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H25 La N2 O9 -","- C22 H25 La N2 O9 -","- C88 H100 La4 N8 O36 -","4","1","","Puentes, Roberto; Torres, Julia; Kremer, Carlos; Cano, Joan; Lloret, Francesc; Capucci, Davide; Bacchi, Alessia","Mononuclear and polynuclear complexes ligated by an iminodiacetic acid derivative: synthesis, structure, solution studies and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5356","5373","10.1039/c5dt05060j","","","0.71073","MoKα","","0.0386","0.0265","","","0.0541","0.0597","","","","","","1.026","","","","has coordinates","181658","2020-10-21","18:00:00",""
"7039537","14.31","0.001","35.387","0.003","22.396","0.002","90","","106.356","0.001","90","","10882.1","1.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C51.5 H84 N2 O5.5 W -","- C51.5 H82 N2 O5.5 W -","- C412 H656 N16 O44 W8 -","8","2","","Badetti, Elena; Romano, Francesco; Marchiò, Luciano; Taşkesenlioğlu, Sara; Daştan, Arif; Zonta, Cristiano; Licini, Giulia","Effective bromo and chloro peroxidation catalysed by tungsten(vi) amino triphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14603","14608","10.1039/c6dt01780k","","","0.71073","MoKα","","0.0972","0.0559","","","0.1308","0.1477","","","","","","1.074","","","","has coordinates,has disorder","187139","2020-10-21","18:00:00",""
"7040143","14.165","0.0003","13.07","0.0003","14.726","0.0004","90","","101.745","0.001","90","","2669.24","0.11","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C58 H76 Al2 N2 O2 -","- C58 H76 Al2 N2 O2 -","- C116 H152 Al4 N4 O4 -","2","0.5","","Kirk, Sarah M.; Quilter, Helena C.; Buchard, Antoine; Thomas, Lynne H.; Kociok-Kohn, Gabriele; Jones, Matthew D.","Monomeric and dimeric Al(iii) complexes for the production of polylactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13846","13852","10.1039/c6dt02861f","","","0.71073","MoKα","","0.0869","0.0562","","","0.134","0.1518","","","","","","1.034","","","","has coordinates","186384","2020-10-21","18:00:00",""
"7040294","12.1982","0.0016","21.725","0.003","12.2925","0.0016","90","","118.809","0.0012","90","","2854.4","0.7","150.15","","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H26 F12 Fe N10 P2 -","- C22 H26 F12 Fe N10 P2 -","- C88 H104 F48 Fe4 N40 P8 -","4","1","","Hagiwara, Hiroaki; Tanaka, Tomoko; Hora, Shiori","Synthesis, structure, and spin crossover above room temperature of a mononuclear and related dinuclear double helicate iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17132","17140","10.1039/c6dt02766k","","","0.7107","MoKα","","0.0442","0.0404","","","0.0967","0.0998","","","","","","1.064","","","","has coordinates,has disorder","188187","2020-10-21","18:00:00",""
"7040295","12.647","0.003","22.117","0.004","12.703","0.004","90","","119.722","0.002","90","","3085.7","1.3","448.15","","448","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H26 F12 Fe N10 P2 -","- C22 H26 F12 Fe N10 P2 -","- C88 H104 F48 Fe4 N40 P8 -","4","1","","Hagiwara, Hiroaki; Tanaka, Tomoko; Hora, Shiori","Synthesis, structure, and spin crossover above room temperature of a mononuclear and related dinuclear double helicate iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17132","17140","10.1039/c6dt02766k","","","0.7107","MoKα","","0.1291","0.093","","","0.2253","0.2449","","","","","","1.434","","","","has coordinates","188187","2020-10-21","18:00:00",""
"7040325","8.1729","0.0001","5.2175","0.0001","17.3973","0.0001","90","","99.7","0.03","90","","731.25","0.07","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 Hg2 O4 S2 -","- C12 H10 Hg2 O4 S2 -","- C24 H20 Hg4 O8 S4 -","2","0.5","","Lannes, A.; Manceau, A.; Rovezzi, M.; Glatzel, P.; Joly, Y.; Gautier-Luneau, I","Intramolecular Hgπ interactions of d-character with non-bridging atoms in mercury-aryl complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14035","14038","10.1039/c6dt02200f","","","0.56087","AgKα","","0.0978","0.0796","","0.1216","0.0921","0.087","","","","","","1.0349","","","","has coordinates","187120","2020-10-21","18:00:00",""
"7040907","6.925","0.005","17.917","0.013","14.788","0.011","90","","100.119","0.01","90","","1806","2","173","","173","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C16 H17 Cl N3 O5.5 Pt -","- C16 H10 Cl N3 O5.85 Pt -","- C64 H40 Cl4 N12 O23.4 Pt4 -","4","1","","Kobayashi, Atsushi; Oizumi, Shiori; Shigeta, Yasuhiro; Yoshida, Masaki; Kato, Masako","Proton-switchable vapochromic behaviour of a platinum(ii)-carboxy-terpyridine complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17485","17494","10.1039/c6dt03189g","","","0.689","synchrotron","","0.0711","0.053","","","0.1254","0.1385","","","","","","1.03","","","","has coordinates","188178","2020-10-21","18:00:00",""
"7041052","15.564","0.005","22.845","0.018","17.255","0.01","90","","97.41","0.06","90","","6084","6","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C38 H41 Cl3 Cu4 N26 O14 S4 -","- C38 H41 Cl3 Cu4 N26 O14 S4 -","- C152 H164 Cl12 Cu16 N104 O56 S16 -","4","1","","Gil-García, Rubén; Ugalde, María; Busto, Natalia; Lozano, Héctor J; Leal, José M; Pérez, Begoña; Madariaga, Gotzon; Insausti, Maite; Lezama, Luis; Sanz, Roberto; Gómez-Sainz, Lidia M; García, Begoña; García-Tojal, Javier","Selectivity of a thiosemicarbazonatocopper(ii) complex towards duplex RNA. Relevant noncovalent interactions both in solid state and solution.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18704","18718","10.1039/c6dt02907h","","","0.71073","MoKα","","0.3031","0.0688","","","","0.155","","","","","","0.665","","","","has coordinates,has disorder","204134","2020-10-21","18:00:00",""
"7041902","20.673","0.0001","19.627","0.0001","20.68","0.0001","90","","110.534","0.001","90","","7857.77","0.08","150","2","150.15","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C70 H83 B F24 N8 O P4 Ru -","- C70 H82 B F24 N8 O P4 Ru -","- C280 H328 B4 F96 N32 O4 P16 Ru4 -","4","1","","Häller, L Jonas L; Mas-Marzá, Elena; Cybulski, Mateusz K.; Sanguramath, Rajashekharayya A.; Macgregor, Stuart A.; Mahon, Mary F.; Raynaud, Christophe; Russell, Christopher A.; Whittlesey, Michael K.","Computation provides chemical insight into the diverse hydride NMR chemical shifts of [Ru(NHC)4(L)H](0/+) species (NHC = N-heterocyclic carbene; L = vacant, H2, N2, CO, MeCN, O2, P4, SO2, H(-), F(-) and Cl(-)) and their [Ru(R2PCH2CH2PR2)2(L)H](+) congeners.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2861","2873","10.1039/c7dt00117g","","","0.71073","MoKα","","0.076","0.0619","","","0.1656","0.1829","","","","","","1.027","","","","has coordinates,has disorder","193834","2020-10-21","18:00:00",""
"7042470","13.6766","0.0001","15.4391","0.0002","22.8288","0.0003","90","","104.528","0.001","90","","4666.27","0.09","123","0.1","123","0.1","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C40 H53 Mo2 N O4 P2 S -","- C40 H53 Mo2 N O4 P2 S -","- C160 H212 Mo8 N4 O16 P8 S4 -","4","1","","Albuerne, Isabel G.; Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Chemistry of CS2- and SCNPh-adducts of the pyramidal phosphinidene-bridged complex [Mo2Cp(μ-κ(1):κ(1),η(5)-PC5H4)(CO)2(η(6)-HMes*)(PMe3)].","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3510","3525","10.1039/c7dt00132k","","x-ray","1.54184","CuKα","","0.0384","0.0314","","","0.0826","0.0874","","","","","","1.047","","","","has coordinates,has disorder","194245","2020-10-21","18:00:00",""
"7042877","22.8421","0.0006","16.2474","0.0004","17.8186","0.0006","90","","90.091","0.002","90","","6612.9","0.3","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H58 K N5 O2 Si2 -","- C22 H58 K N5 O2 Si2 -","- C176 H464 K8 N40 O16 Si16 -","8","2","","Ojeda-Amador, Ana I.; Martínez-Martínez, Antonio J.; Robertson, Gemma M.; Robertson, Stuart D.; Kennedy, Alan R.; O'Hara, Charles T.","Exploring the solid state and solution structural chemistry of the utility amide potassium hexamethyldisilazide (KHMDS)","Dalton Trans.","2017","","","","","10.1039/C7DT01118K","","","1.5418","CuKα","","0.0644","0.0505","","","0.1338","0.1457","","","","","","1.054","","","","has coordinates,has disorder","195953","2020-10-21","18:00:00",""
"7043011","14.6204","0.0002","14.088","0.0003","14.7554","0.0003","90","","109.011","0.0015","90","","2873.42","0.1","200","","200","","","","","","","","Research School of Chemistry","7","P 1 21/a 1","-P 2yab","14","","","","- C22 H23 B Br2 Cl6 N P -","- C22 H23 B Br2 Cl6 N P -","- C88 H92 B4 Br8 Cl24 N4 P4 -","4","1","","Hill, Anthony; Ward, Jas S.","Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts","Dalton Trans.","2017","","","","","10.1039/C7DT01023K","","","0.71073","MoKα","","0.0733","0.0426","","0.102","0.09","0.102","","","","","","0.9651","","","","has coordinates","196778","2020-10-21","18:00:00",""
"7043380","26.083","0.005","13.252","0.003","17.938","0.004","90","","105.99","0.03","90","","5960","2","100","2","100","2","","","101","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C69 H19 Cl3 F20 N12 Ni2 -","- C69 H19 Cl3 F20 N12 Ni2 -","- C276 H76 Cl12 F80 N48 Ni8 -","4","1","","Faialaga, Nathan Hikaru; Ito, Satoru; Shinokubo, Hiroshi; Kim, Yonghun; Kim, Kimoon; Shin, Ji-Young","A Synthesis of Novel Expanded Porphyrinoids: NiII-Induced Nitrile Cyclization of Dicyanovinylene-Bis(meso-Aryl)Dipyrrin","Dalton Trans.","2017","","","","","10.1039/C7DT01838J","","x-ray","0.7","synchrotron","","0.1304","0.0847","","","0.1852","0.2024","","","","","","0.966","","","","has coordinates","197906","2020-10-21","18:00:00",""
"7043850","17.296","0.003","16.028","0.005","8.76","0.002","90","","101.46","0.02","90","","2380","1","291","","291","1","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H20 Mo2 N O4 P -","- C25 H20 Mo2 N O4 P -","- C100 H80 Mo8 N4 O16 P4 -","4","1","","Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Rueda, M. Teresa; Ruiz, Miguel A.; Toyos, Adrián; Vega, M. Fernanda","Terminal vs. bridging coordination of CO and NO ligands after decarbonylation of [W2Cp2(μ-PR2)(CO)3(NO)] complexes (R = Ph, Cy). An experimental and computational study","Dalton Trans.","2017","","","","","10.1039/C7DT02243C","","x-ray","0.71069","MoKα","","","0.032","","","0.033","","","","","","","1.217","","","","has coordinates","199379","2020-10-21","18:00:00",""
"7045129","25.416","0.0005","13.1322","0.0003","24.3186","0.0006","90","","102.791","0.007","90","","7915.3","0.4","173","","173","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C76 H124 Fe2 N4 P4 -","- C76 H124 Fe2 N4 P4 -","- C304 H496 Fe8 N16 P16 -","4","1","","Higuchi, Junichi; Kuriyama, Shogo; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Preparation and reactivity of iron complexes bearing anionic carbazole-based PNP-type pincer ligands toward catalytic nitrogen fixation.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1117","1121","10.1039/c7dt04327a","","","0.71075","MoKα","","0.1133","0.0649","","","0.1423","0.1603","","","","","","1.021","","","","has coordinates","229527","2020-10-21","18:00:00",""
"7045207","15.2362","0.0002","23.96","0.0003","15.3332","0.0001","90","","91.8919","0.0006","90","","5594.48","0.11","200","","200","","","","","","","","Research School of Chemistry","6","P 1 21/a 1","-P 2yab","14","","","","- C58 H63 Cl7 N2 P2 Rh2 -","- C58 H63 Cl7 N2 P2 Rh2 -","- C232 H252 Cl28 N8 P8 Rh8 -","4","1","","Hill, Anthony F.; Ma, Chenxi; McQueen, Caitlin M. A.; Ward, Jas S.","Iridium complexes of perimidine-based N-heterocyclic carbene pincer ligands via aminal C-H activation.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1577","1587","10.1039/c7dt04572g","","","0.71073","MoKα","","0.0698","0.0495","","0.1438","0.1277","0.1438","","","","","","0.9789","","","","has coordinates","229450","2020-10-21","18:00:00",""
"7045210","15.2252","0.0002","23.9867","0.0004","15.3547","0.0002","90","","91.9066","0.0009","90","","5604.47","0.14","200","","200","","","","","","","","Research School of Chemistry","6","P 1 21/a 1","-P 2yab","14","","","","- C58 H63 Cl7 Ir2 N2 P2 -","- C58 H63 Cl7 Ir2 N2 P2 -","- C232 H252 Cl28 Ir8 N8 P8 -","4","1","","Hill, Anthony F.; Ma, Chenxi; McQueen, Caitlin M. A.; Ward, Jas S.","Iridium complexes of perimidine-based N-heterocyclic carbene pincer ligands via aminal C-H activation.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1577","1587","10.1039/c7dt04572g","","","0.71073","MoKα","","0.0692","0.0452","","0.1272","0.1043","0.1272","","","","","","0.9639","","","","has coordinates","229450","2020-10-21","18:00:00",""
"7045752","8.0853","0.0003","15.381","0.0004","14.5164","0.0004","90","","100.739","0.001","90","","1773.64","0.09","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C44 H28 Co2 N4 O8 -","- C44 H28 Co2 N4 O8 -","- C88 H56 Co4 N8 O16 -","2","0.5","","Casanova, I.; Durán, M L; Viqueira, J.; Sousa-Pedrares, A; Zani, F.; Real, J. A.; García-Vázquez, J A","Metal complexes of a novel heterocyclic benzimidazole ligand formed by rearrangement-cyclization of the corresponding Schiff base. Electrosynthesis, structural characterization and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4325","4340","10.1039/c8dt00532j","","","0.71073","MoKα","","0.0946","0.0504","","","0.1049","0.1221","","","","","","0.969","","","","has coordinates","230049","2020-10-21","18:00:00",""
"7045807","10.4359","0.0007","40.547","0.003","10.821","0.0008","90","","95.862","0.004","90","","4554.9","0.6","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C81 H136 N12 S10.62 Sn2 -","- C81 H136 N12 S10.624 Sn2 -","- C162 H272 N24 S21.248 Sn4 -","2","0.5","","Johnson, Andrew Lee; Ahmet, Ibrahim Y.; Hill, Michael S.; Raithby, Paul R.","Tin Guanidinato Complexes: Oxidative Control of Sn, SnS, SnSe and SnTe Thin Film Deposition","Dalton Transactions","2018","","","","","10.1039/C8DT00773J","","","0.71073","MoKα","","0.1559","0.0926","","","0.1742","0.1965","","","","","","1.146","","","","has coordinates,has disorder","206829","2020-10-21","18:00:00",""
"7045808","14.6986","0.0003","9.269","0.0002","18.3539","0.0004","90","","97.487","0.001","90","","2479.24","0.09","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H40 N6 Sn Te -","- C18 H40 N6 Sn Te -","- C72 H160 N24 Sn4 Te4 -","4","1","","Johnson, Andrew Lee; Ahmet, Ibrahim Y.; Hill, Michael S.; Raithby, Paul R.","Tin Guanidinato Complexes: Oxidative Control of Sn, SnS, SnSe and SnTe Thin Film Deposition","Dalton Transactions","2018","","","","","10.1039/C8DT00773J","","","0.71073","MoKα","","0.0479","0.0346","","","0.0801","0.0866","","","","","","1.066","","","","has coordinates,has disorder","278046","2022-09-21","15:45:41",""
"7045811","12.2727","0.0003","27.0616","0.0007","12.3569","0.0003","90","","103.891","0.001","90","","3983.95","0.17","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C37 H64 N6 Sn Te -","- C37 H64 N6 Sn Te -","- C148 H256 N24 Sn4 Te4 -","4","1","","Johnson, Andrew Lee; Ahmet, Ibrahim Y.; Hill, Michael S.; Raithby, Paul R.","Tin Guanidinato Complexes: Oxidative Control of Sn, SnS, SnSe and SnTe Thin Film Deposition","Dalton Transactions","2018","","","","","10.1039/C8DT00773J","","","0.71073","MoKα","","0.0456","0.036","","","0.0859","0.0908","","","","","","1.254","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7045812","17.201","0.0003","8.6635","0.0001","23.765","0.0003","90","","99.8642","0.0009","90","","3489.13","0.09","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H30 N4 Sn -","- C13 H30 N4 Sn -","- C104 H240 N32 Sn8 -","8","2","","Johnson, Andrew Lee; Ahmet, Ibrahim Y.; Hill, Michael S.; Raithby, Paul R.","Tin Guanidinato Complexes: Oxidative Control of Sn, SnS, SnSe and SnTe Thin Film Deposition","Dalton Transactions","2018","","","","","10.1039/C8DT00773J","","","0.71073","MoKα","","0.0468","0.0315","","","0.0669","0.0735","","","","","","1.064","","","","has coordinates","206829","2020-10-21","18:00:00",""
"7045813","12.2422","0.0003","26.8816","0.0003","12.4038","0.0006","90","","103.179","0.001","90","","3974.5","0.2","150.15","","150.15","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C30 H56 N6 Se Sn -","- C30 H56 N6 Se Sn -","- C120 H224 N24 Se4 Sn4 -","4","1","","Johnson, Andrew Lee; Ahmet, Ibrahim Y.; Hill, Michael S.; Raithby, Paul R.","Tin Guanidinato Complexes: Oxidative Control of Sn, SnS, SnSe and SnTe Thin Film Deposition","Dalton Transactions","2018","","","","","10.1039/C8DT00773J","","","0.71073","MoKα","","0.0645","0.0552","","","0.1568","0.1658","","","","","","1.099","","","","has coordinates","206829","2020-10-21","18:00:00",""
"7047731","17.1906","0.0013","11.1401","0.0007","24.7705","0.0017","90","","107.867","0.008","90","","4514.9","0.6","150","","150","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C33 H57 Cl2 Ge Ir N2 O Si2 -","- C33 H57 Cl2 Ge Ir N2 O Si2 -","- C132 H228 Cl8 Ge4 Ir4 N8 O4 Si8 -","4","1","","Bakthavachalam, K.; Dutta, Sayan; C, Arivazhagan; Raghavendra, Beesam; Haridas, Anagha; Sen, Sakya S.; Koley, Debasis; Ghosh, Sundargopal","Cyclometallation of a germylene ligand by concerted metalation-deprotonation of a methyl group.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15835","15844","10.1039/c8dt03166e","","","0.71073","MoKα","","0.0935","0.0759","","","0.2126","0.233","","","","","","1.027","","","","has coordinates","229269","2020-10-21","18:00:00",""
"7048147","9.601","0.007","33.967","0.015","13.081","0.004","90","","109.79","0.04","90","","4014","4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1,9-bis((R,S)-α-methylbenzyl)-3,7,11,15-tetramesityl-1,9-diaza-3,7,11,15-(RSSR)-tetraphosphacyclohexadecane","","- C86 H106 N2 P4 -","- C86 H106 N2 P4 -","- C172 H212 N4 P8 -","2","0.5","","Musina, E. I.; Naumov, R. N.; Kanunnikov, K. B.; Dobrynin, A. B.; Gómez-Ruiz, S; Lönnecke, P; Hey-Hawkins, E; Karasik, A. A.; Sinyashin, O. G.","Chiral [16]-ane P<sub>4</sub>N<sub>2</sub> macrocycles: stereoselective synthesis and unexpected intermolecular exchange of endocyclic fragments.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16977","16984","10.1039/c8dt03214a","","","1.54184","CuKα","","0.1159","0.0642","","","0.1796","0.2146","","","","","","1.076","","","","has coordinates","229688","2020-10-21","18:00:00",""
"7048662","14.6513","0.0013","7.8132","0.0008","16.182","0.0013","90","","97.495","0.006","90","","1836.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C19 H22 Au Cl N2 -","- C19 H22 Au Cl N2 -","- C76 H88 Au4 Cl4 N8 -","4","1","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.1304","0.0766","","","0.1104","0.1225","","","","","","1.156","","","","has coordinates,has disorder","223995","2020-10-21","18:00:00",""
"7050089","6.7441","0.0012","13.452","0.002","15.028","0.002","90","","97.568","0.013","90","","1351.5","0.4","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 Ag N5 O3 -","- C12 H10 Ag N5 O3 -","- C48 H40 Ag4 N20 O12 -","4","1","","Kennedy, Alan R.; Brown, Karen G.; Graham, Duncan; Kirkhouse, Jennifer B.; Kittner, Madeleine; Major, Claire; McHugh, Callum J.; Murdoch, Paul; Smith, W. Ewen","Chromophore containing bipyridyl ligands. Part 1: supramolecular solid-state structure of Ag(i) complexes","New Journal of Chemistry","2005","29","6","826","","10.1039/b500698h","","","0.71069","MoKα","","0.0463","0.0347","","","0.0834","0.0862","","","","","","1.046","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050129","11.13247","0.00012","20.67256","0.00017","7.44834","0.00005","90","","97.985","0.0006","90","","1697.52","0.03","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C11 H8 O2 -","- C11 H8 O2 -","- C88 H64 O16 -","8","2","","Nowell, Harriott; Paul Attfield, J.","X-Ray and neutron powder diffraction studies of the crystal structure of vitamin K3Electronic supplementary information (ESI) available: X-ray powder diffraction data. See http://www.rsc.org/suppdata/nj/b3/b306072a/","New Journal of Chemistry","2004","28","3","406","","10.1039/b306072a","powder diffraction","x-ray","0.598542","","","","","","","","","0.1076","","2.96","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050130","11.11103","0.00025","20.6416","0.0005","7.43426","0.0001","90","","97.949","0.0009","90","","1688.66","0.06","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C11 H8 O2 -","- C11 H8 O2 -","- C88 H64 O16 -","8","2","","Nowell, Harriott; Paul Attfield, J.","X-Ray and neutron powder diffraction studies of the crystal structure of vitamin K3Electronic supplementary information (ESI) available: X-ray powder diffraction data. See http://www.rsc.org/suppdata/nj/b3/b306072a/","New Journal of Chemistry","2004","28","3","406","","10.1039/b306072a","powder diffraction","","","","","","","","","","","","","2.72","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050182","19.892","0.005","19.296","0.005","12.102","0.005","90","0.005","90.69","0.005","90","0.005","4645","3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C52 H71 N O4 -","- C52 H71 N O4 -","- C208 H284 N4 O16 -","4","1","","Arena, Giuseppe; Contino, Annalinda; Longo, Elisa; Spoto, Giuseppe; Arduini, Arturo; Pochini, Andrea; Secchi, Andrea; Massera, Chiara; Ugozzoli, Franco","An integrated approach to the study of the recognition of guests containing CH3 and CH2 acidic groups by differently rigidified cone p-tert-butylcalix[4]arene derivativesElectronic supplementary information (ESI) available: experimental conditions used for calorimetric measurements. See http://www.rsc.org/suppdata/nj/b3/b308996g/","New Journal of Chemistry","2004","28","1","56","","10.1039/b308996g","","","1.54178","CuKα","","0.0581","0.0505","","","0.1735","0.1818","","","","","","1.472","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050189","6.7072","0.0005","16.0387","0.0011","8.1083","0.0005","90","","91.16","0.004","90","","872.07","0.1","295","2","295","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H7 N3 O4 -","- C7 H7 N3 O4 -","- C28 H28 N12 O16 -","4","1","","Graham, Duncan; Kennedy, Alan R.; McHugh, Callum J.; Smith, W. Ewen; David, William I. F.; Shankland, Kenneth; Shankland, Norman","The crystal structures of three primary products from the selective reduction of 2,4,6-trinitrotoluene","New Journal of Chemistry","2004","28","1","161","","10.1039/b309792g","","","0.71073","MoKα","","0.0859","0.0645","","","0.1689","0.1835","","","","","","1.1","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050424","5.7642","0.0009","11.4632","0.0018","6.112","0.001","90","","99.27","0.02","90","","398.58","0.11","180","2","180","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Compound 5","","- C10 H2 F4 -","- C10 H2 F4 -","- C20 H4 F8 -","2","0.5","","Khan, Muhammad S.; Al-Mandhary, Muna R. A.; Al-Suti, Mohammed K.; Corcoran, Timothy C.; Al-Mahrooqi, Yaqoub; Attfield, J. Paul; Feeder, Neil; David, William I. F.; Shankland, Kenneth; Friend, Richard H.; Köhler, Anna; Marseglia, Elisabeth A.; Tedesco, Emilio; Tang, Chiu C.; Raithby, Paul R.; Collings, Jonathan C.; Roscoe, Karl P.; Batsanov, Andrei S.; Stimson, Lorna M.; Marder, Todd B.","Synthesis and optical characterisation of platinum(ii) poly-yne polymers incorporating substituted 1,4-diethynylbenzene derivatives and an investigation of the intermolecular interactions in the diethynylbenzene molecular precursorsElectronic supplementary information (ESI) available: atomic cooordinates for 6 and 7. See http://www.rsc.org/suppdata/nj/b2/b206946f/","New Journal of Chemistry","2003","27","1","140","","10.1039/b206946f","","","1.54178","CuKα","","0.078","0.0353","","","0.0717","0.0834","","","","","","1.086","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050425","15.32","0.03","20.7","0.03","18.71","0.03","90","","96.19","0.01","90","","5899","17","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C28.5 H25 Cl2 Cu N6 O4 -","- C28.5 H25 Cl2 Cu N6 O4 -","- C228 H200 Cl16 Cu8 N48 O32 -","8","2","","Chowdhury, Shubhamoy; Iveson, Peter B.; Drew, Michael G. B.; Tocher, Derek A.; Datta, Dipankar","A novel copper(i) complex that is a monomeric single helix in solid state but a dimeric double helix in solution","New Journal of Chemistry","2003","27","2","193","","10.1039/b207057j","","","0.71073","MoKα","","0.2344","0.0907","","","0.1916","0.2517","","","","","","1.008","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050530","15.5858","0.0009","17.5726","0.0009","17.4597","0.0009","90","","99.845","0.002","90","","4711.5","0.4","193.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C46 H62 N2 Ni O11 -","- C46 H62 N2 Ni O11 -","- C184 H248 N8 Ni4 O44 -","4","1","","Houjou, Hirohiko; Iwasaki, Atsushi; Ogihara, Tamako; Kanesato, Masatoshi; Akabori, Sadatoshi; Hiratani, Kazuhisa","The architecture of dinuclear Ni and Cu complexes: twisted and parallel forms controlled by the self-assembly of Schiff base ligands","New Journal of Chemistry","2003","27","5","886","","10.1039/b212285p","","","0.7107","MoKα","","","0.0783","","","","0.1103","","","","","","1.688","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050765","15.42","0.02","9.832","0.014","16.076","0.019","90","","96.673","0.01","90","","2421","5","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H32 Cl2 N4 O4 Ru -","- C20 H32 Cl2 N4 O4 Ru -","- C80 H128 Cl8 N16 O16 Ru4 -","4","1","","Pal, Pankaj K.; Drew, Michael G. B.; Datta, Dipankar","Two simple precursor 2,2'-bisoxazoline complexes of ruthenium","New Journal of Chemistry","2002","26","1","24","","10.1039/b109294b","","","0.71073","MoKα","","0.0857","0.0457","","","0.1207","0.1429","","","","","","1.036","","","","has coordinates","180061","2020-10-21","18:00:00",""
"7050801","14.685","0.002","8.679","0.003","17.769","0.003","90","","111.75","0.01","90","","2103.4","0.7","289.2","","289.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H24 B2 F4 N2 O2 -","- C21.87 H24 B1.58 F3.88 N1.57 O1.88 -","- C87.48 H96 B6.32 F15.52 N6.28 O7.52 -","4","1","","","","New Journal of Chemistry","2002","","","","","10.1039/b110975h","","","","","","","0.1181","","","0.0945","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050833","10.8607","0.0013","25.535","0.004","11.3399","0.0012","90","","89.301","0.011","90","","3144.6","0.7","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","4-amino-2,6-bis(pyrazol-1-ylmethyl)-5-(pyrazol-1-yl)pyrimidine","","- C30 H30 N18 -","- C30 H30 N18 -","- C120 H120 N72 -","4","1","","de la Hoz, A.; Blasco, H.; Diaz-Ortiz, A.; Elguero, J.; Foces-Foces, C.; Moreno, A.; Sanchez-Migallon, A.; Valiente, G.","Solvent-free synthesis and structural characterization of azolyl-substituted pyrimidines","New Journal of Chemistry","2002","","","","","","","","","","","","0.048","","","0.058","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7050974","7.688","0.003","16.539","0.005","9.8","0.006","90","","96.75","0.04","90","","1237.5","1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H33 Fe O8 -","- C24 H31 Fe O8 -","- C48 H62 Fe2 O16 -","2","0.5","","Braga, Dario; Eckert, Matthieu; Fraccastoro, Matteo; Maini, Lucia; Grepioni, Fabrizia; Caneschi, Andrea; Sessoli, Roberta","The hydrogen oxalate anion allows one-dimensional columnar aggregation of organometallic sandwich cations","New Journal of Chemistry","2002","26","10","1280","","10.1039/b205782d","","","0.71073","MoKα","","0.1323","0.0512","","","0.1376","0.1737","","","","","","0.993","","","","has coordinates","180063","2020-10-21","18:00:00",""
"7051065","17.921","0.007","17.472","0.003","18.196","0.007","90","","95.86","0.02","90","","5668","3","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C54.5 H45 Ag2 Cl P3 Se4 W -","- C54.5 H45 Ag2 Cl P3 Se4 W -","- C218 H180 Ag8 Cl4 P12 Se16 W4 -","4","1","","Zhang, Qian-Feng; Leung, Wa-Hung; Song, Ying-Lin; Hong, Mao-Chun; Kennard, Colin H. L.; Xin, Xin-Quan","Skeleton atomic effect on nonlinear optical properties of linear trinuclear heteroselenometallic compounds with univalent coinage metals","New Journal of Chemistry","2001","25","3","465","","10.1039/b008466m","","","0.71069","MoKα","","0.0921","0.0507","","0.1614","0.112","","","","0.998","1.152","1.152","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051093","8.3994","0.001","14.738","0.002","18.901","0.003","90","","99.35","0.01","90","","2308.7","0.6","293","2","193","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","tetrakis(octanoato O,O')bis(2-aminopyridine)dicopper(II)","","- C42 H72 Cu2 N4 O8 -","- C42 H72 Cu2 N4 O8 -","- C84 H144 Cu4 N8 O16 -","2","0.5","","Lah, Nina; Giester, Gerald; Lah, Jurij; Šegedin, Primož; Leban, Ivan","Copper(II) carboxylates with 2-aminopyridine. Synthesis, characterization and a study of the dimer‒monomer equilibrium in acetonitrile solutions by VIS-spectroscopic and microcalorimetric titrations","New Journal of Chemistry","2001","25","5","753","","10.1039/b009807h","","","0.71073","MoKα","","0.0787","0.0548","","","0.1494","0.1738","","","","","","0.909","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051100","12.978","0.0008","20.976","0.001","11.3418","0.0007","90","","93.216","0.001","90","","3082.6","0.3","298.2","","298.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C40 H54 N8 O25 Tb4 -","- C40 H54 N8 O25 Tb4 -","- C80 H108 N16 O50 Tb8 -","2","0.5","","Gao, S.; Lam, A. W.-H.; Wen, G.; Wong, W.-T.; Zhang, X.-X.","","New Journal of Chemistry","2001","","","","","10.1039/b010193l","","","","","","","0.0605","","","0.071","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051125","9.501","0.003","16.156","0.003","11.009","0.003","90","","112.91","0.02","90","","1556.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 N O P -","- C18 H16 N O P -","- C72 H64 N4 O4 P4 -","4","1","","Andrews, C. D.; Burrows, A. D.; Lynam, J. M.; Mahon, M.; Palmer, M. T.","","New Journal of Chemistry","2001","","","","","10.1039/b102193l","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051191","12.602","0.002","10.201","0.003","23.118","0.006","90","","94.37","0.02","90","","2963.3","1.1","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C144 H128 N16 O8 -","8","2","","Bagieu Beucher, M.; George, S.; Masse, R.; Muthuraman, M.; Nangia, A.; Nicoud, Jean-Francois","Crystal Engineering of Neutral N-Aryl Pyrimidinones and their HCl, HNO3 Adducts With C-H...O Supramolecular Synthon. Implications Towards Non-Linear Optics","New Journal of Chemistry","2001","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051196","8.669","0.0002","15.7588","0.0003","11.4462","0.0002","90","","102.089","0.0011","90","","1529.02","0.05","200","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H25 N O -","- C17 H25 N O -","- C68 H100 N4 O4 -","4","1","","Banwell, M.; Bray, Andrew W.; Edwards, Alison J.; Wong, David J.","Total synthesis of the putative structure of the marine alkaloid haliclorensin","New Journal of Chemistry","2001","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051242","16.124","0.006","11.289","0.004","16.313","0.006","90","","100.297","0.019","90","","2921.6","1.8","102","","102","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C24 H52 Cl N O P2 Ru -","- C24 H52 Cl N O P2 Ru -","- C96 H208 Cl4 N4 O4 P8 Ru4 -","4","1","","Coalter, III, Joseph N.; Bollinger, John C.; Huffman, John C.; Werner‒Zwanziger, Ulrike; Caulton, Kenneth G.; Davidson, Ernest R.; Gérard, Hélène; Clot, Eric; Eisenstein, Odile","Coordinated carbenes from electron-rich olefins on RuHCl(PPr3i)2","New Journal of Chemistry","2000","24","1","9","26","10.1039/a907624g","","","0.71069","MoKα","","","0.046","","","","0.0349","","","","","","1.229","","","","has coordinates,has disorder","210948","2020-10-21","18:00:00",""
"7051306","13.559","0.002","14.745","0.003","16.186","0.001","90","","111.93","0.02","90","","3001.9","0.9","293","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H29 Mn N3 O8 -","- C33 H29 Mn N3 O8 -","- C132 H116 Mn4 N12 O32 -","4","1","","Liliana Strinna Erre; Giovanni Micera; Eugenio Garribba; Attila Cs. Bényei","Molecular structure and spectral properties of bis(2,6-dimethoxybenzoato)(2,2':6',2″-terpyridine)manganese(II): a five-coordinate Mn(II) complex","New J. Chem.","2000","24","9","725","728","10.1039/b002119i","","","0.71073","MoKα","","","0.0588","","","0.1085","0.1475","","","","1.112","1.112","1.015","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7051361","10.27","0.0002","16.169","0.0004","10.8995","0.0002","90","","106.9","0.001","90","","1731.76","0.06","112","2","112","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H22 Cl2 N4 O10 -","- C10 H22 Cl2 N4 O10 -","- C40 H88 Cl8 N16 O40 -","4","1","","Laurent Frémond; Enrique Espinosa; Michel Meyer; Franck Denat; Roger Guilard; Volker Huch; Michael Veith","Synthesis, characterization and X-ray crystal structures of cyclam derivatives. Part IV. 1,4,8,11-Tetraazacyclotetradecane-5,12-dione and its diprotonated forms","New J. Chem.","2000","24","12","959","966","10.1039/b005052k","","","0.71073","MoKα","","0.0352","0.0316","","","0.0812","0.0835","","","","","","1.054","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7051364","18.022","0.001","16.351","0.001","18.111","0.002","90","","118.101","0.005","90","","4708","0.7","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C47 H64 Ru4 S4 -","- C47 H56 Ru4 S4 -","- C188 H224 Ru16 S16 -","4","1","","Seino, Hidetake; Mizobe, Yasushi; Hidai, Masanobu","Preparation of hydrosulfido- and hydroselenido-bridged diruthenium complexes with π-arene co-ligands and their conversion into new cubane-type sulfido or selenido clusters","New Journal of Chemistry","2000","24","11","907","911","10.1039/b005454m","","","","","","","","","","","","","","","","","","","","","has coordinates","218967","2020-10-21","18:00:00",""
"7051365","18.001","0.003","16.653","0.003","18.315","0.003","90","","118.661","0.01","90","","4817","1","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C47 H64 Ru4 Se4 -","- C47 H56 Ru4 Se4 -","- C188 H224 Ru16 Se16 -","4","1","","Seino, Hidetake; Mizobe, Yasushi; Hidai, Masanobu","Preparation of hydrosulfido- and hydroselenido-bridged diruthenium complexes with π-arene co-ligands and their conversion into new cubane-type sulfido or selenido clusters","New Journal of Chemistry","2000","24","11","907","911","10.1039/b005454m","","","","","","","","","","","","","","","","","","","","","has coordinates","218967","2020-10-21","18:00:00",""
"7051374","19.021","0.003","8.377","0.003","29.023","0.003","90","","91.718","0.012","90","","4622.4","1.9","293","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","compound3","","","- C25 H37 Nd -","- C25 H37 Nd -","- C200 H296 Nd8 -","8","2","","Visseaux, Marc; Barbier-Baudry, Denise; Blacque, Olivier; Hafid, Abderrafia; Richard, Philippe; Weber, Frank","New base-free metallocenes of samarium and neodymium, an approach of the stereoelectronic control in organolanthanide chemistry","New Journal of Chemistry","2000","24","12","939","942","10.1039/B006834I","","","","","","","","","","","","","","","","","","","","","has coordinates","187703","2020-10-21","18:00:00",""
"7051442","9.491","0.004","11.884","0.003","12.912","0.003","90","","108.35","0.02","90","","1382.3","0.7","153.2","","153.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","4""-dimethylamino-1,3-diphenylpropen-1-one","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","","","New Journal of Chemistry","1999","","","","","10.1039/a902282a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051472","16.085","0.005","14.361","0.005","19.564","0.005","90","0.005","94.39","0.005","90","0.005","4506","2","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C40 H40 Cl2 F12 N2 P4 Pd -","- C40 H38 Cl2 F12 N2 P4 Pd -","- C160 H152 Cl8 F48 N8 P16 Pd4 -","4","1","","","","New Journal of Chemistry","1999","","","","","10.1039/a903823j","","","","","","","0.088","","","0.2134","","","","","","","","","","","has coordinates,has disorder","180068","2020-10-21","18:00:00",""
"7051482","16.714","0.002","14.082","0.001","24.612","0.002","90","","100.78","0.02","90","","5690.6","1","298.2","","298.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C36 H76 Cu3 N28 O2 Pt3 -","- C36 H72 Cu3 N28 O2 Pt3 -","- C144 H288 Cu12 N112 O8 Pt12 -","4","1","","","","New Journal of Chemistry","1999","","","","","10.1039/a905080i","","","","","","","0.0485","","","0.056","","","","","","","","","","","has coordinates","180068","2020-10-21","18:00:00",""
"7051744","12.6184","0.0003","7.8019","0.0002","14.8718","0.0004","90","","113.653","0.0012","90","","1341.1","0.06","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C12 H9 I N2 O3 S -","- C12 H9 I N2 O3 S -","- C48 H36 I4 N8 O12 S4 -","4","1","","Dolenc, Darko; Modec, Barbara","EDA Complexes of N-halosaccharins with N- and O-donor ligands","New Journal of Chemistry","2009","33","11","2344","","10.1039/b9nj00263d","","","0.71073","MoKα","","0.0907","0.0879","","","0.2685","0.2702","","","","","","1.12","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051747","7.7944","0.0002","28.4335","0.0007","8.6973","0.0002","90","","116.155","0.0012","90","","1730.15","0.08","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C7 H4 Br N O3 S -","- C7 H4 Br N O3 S -","- C56 H32 Br8 N8 O24 S8 -","8","2","","Dolenc, Darko; Modec, Barbara","EDA Complexes of N-halosaccharins with N- and O-donor ligands","New Journal of Chemistry","2009","33","11","2344","","10.1039/b9nj00263d","","","0.71073","MoKα","","0.0476","0.0315","","","0.0736","0.0795","","","","","","1.036","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051750","7.1412","0.0005","22.2553","0.0018","7.9556","0.0005","90","","109.175","0.008","90","","1194.23","0.16","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H9 N O2 S2 -","- C12 H9 N O2 S2 -","- C48 H36 N4 O8 S8 -","4","1","","Altamura, Maria; Fedi, Valentina; Giannotti, Danilo; Paoli, Paola; Rossi, Patrizia","Privileged structures: synthesis and structural investigations on tricyclic sulfonamides","New Journal of Chemistry","2009","33","11","2219","","10.1039/b9nj00279k","","","0.71073","MoKα","","0.0972","0.0428","","","0.0795","0.1","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051752","8.4934","0.0004","40.567","0.002","8.9646","0.0007","90","","112.706","0.006","90","","2849.4","0.3","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C26 H22 Cl2 N2 O7 S3 -","- C26 H22 Cl2 N2 O7 S3 -","- C104 H88 Cl8 N8 O28 S12 -","4","1","","Altamura, Maria; Fedi, Valentina; Giannotti, Danilo; Paoli, Paola; Rossi, Patrizia","Privileged structures: synthesis and structural investigations on tricyclic sulfonamides","New Journal of Chemistry","2009","33","11","2219","","10.1039/b9nj00279k","","","1.54018","CuKα","","0.082","0.0598","","","0.1633","0.1715","","","","","","1.104","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051810","15.3369","0.0007","5.5988","0.0002","19.0061","0.0011","90","","109.104","0.002","90","","1542.14","0.13","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-[1-(4-chlorophenyl)ethyl]-1-phenylbutane-1,3-dione","","- C18 H17 Cl O2 -","- C18 H17 Cl O2 -","- C72 H68 Cl4 O8 -","4","1","","Bertolasi, Valerio; Ferretti, Valeria; Gilli, Paola; Yao, Xiaoquan; Li, Chao-Jun","Substituent effects on keto‒enol tautomerization of β-diketones from X-ray structural data and DFT calculations","New Journal of Chemistry","2008","32","4","694","","10.1039/b714708b","","","0.71073","MoKα","","0.1078","0.0493","","","0.1082","0.1328","","","","","","1.012","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051813","11.1539","0.0003","16.3314","0.0006","11.4618","0.0003","90","","114.694","0.001","90","","1896.94","0.1","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-[1-(2-chlorophenyl)ethyl]-1,3-diphenylpropane-1,3-dione","","- C23 H19 Cl O2 -","- C23 H19 Cl O2 -","- C92 H76 Cl4 O8 -","4","1","","Bertolasi, Valerio; Ferretti, Valeria; Gilli, Paola; Yao, Xiaoquan; Li, Chao-Jun","Substituent effects on keto‒enol tautomerization of β-diketones from X-ray structural data and DFT calculations","New Journal of Chemistry","2008","32","4","694","","10.1039/b714708b","","","0.71073","MoKα","","0.0889","0.0509","","","0.1179","0.1396","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051959","7.768","0.0009","11.736","0.001","14.923","0.002","90","","104.66","0.01","90","","1316.2","0.3","150","","150","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H11 N O3 S -","- C15 H11 N O3 S -","- C60 H44 N4 O12 S4 -","4","1","","Altamura, Maria; Dapporto, Paolo; Guidi, Antonio; Harmat, Nicholas J. S.; Jierry, Loïc; Libralesso, Elisa; Paoli, Paola; Rossi, Patrizia","Investigation on the flexibility of chiral tricyclic derivatives","New Journal of Chemistry","2008","32","9","1617","","10.1039/b801569d","","","1.54018","","","0.1361","0.0555","","","0.1117","0.1194","","","","","","0.887","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051991","8.6882","0.0006","9.0031","0.0006","23.8647","0.0016","90","","92.847","0.002","90","","1864.4","0.2","319","2","319","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","bis(dodecylammonium)tetraiodoplumbate(II)","","- C24 H56 I4 N2 Pb -","- C24 H56 I4 N2 Pb -","- C48 H112 I8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions of the inorganic‒organic layered perovskite-type hybrids [(CnH2n+1NH3)2PbI4] (n = 12, 14, 16 and 18)","New Journal of Chemistry","2008","32","10","1736","","10.1039/b805417g","","","0.71073","MoKα","","0.0513","0.0348","","","0.0913","0.0998","","","","","","0.937","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051993","8.6774","0.0016","9.0143","0.0019","26.412","0.006","90","","92.492","0.013","90","","2064","0.7","335","2","335","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","bis(tetradecylammonium)tetraiodoplumbate(II)","","- C28 H64 I4 N2 Pb -","- C28 H64 I4 N2 Pb -","- C56 H128 I8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions of the inorganic‒organic layered perovskite-type hybrids [(CnH2n+1NH3)2PbI4] (n = 12, 14, 16 and 18)","New Journal of Chemistry","2008","32","10","1736","","10.1039/b805417g","","","0.71073","MoKα","","0.0814","0.0531","","","0.1411","0.1586","","","","","","1.095","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051995","8.673","0.002","9.012","0.003","28.846","0.008","90","","91.816","0.006","90","","2253.5","1.1","341","2","341","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","bis(hexadecylammonium)tetraiodoplumbate(II)","","- C32 H72 I4 N2 Pb -","- C32 H72 I4 N2 Pb -","- C64 H144 I8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions of the inorganic‒organic layered perovskite-type hybrids [(CnH2n+1NH3)2PbI4] (n = 12, 14, 16 and 18)","New Journal of Chemistry","2008","32","10","1736","","10.1039/b805417g","","","0.71073","MoKα","","0.0639","0.04","","","0.1045","0.117","","","","","","0.999","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051997","8.6917","0.0009","9.0456","0.001","31.424","0.004","90","","91.586","0.008","90","","2469.7","0.5","348","2","348","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","bis(octadecylammonium)tetraiodoplumbate(II)","","- C36 H80 I4 N2 Pb -","- C36 H80 I4 N2 Pb -","- C72 H160 I8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions of the inorganic‒organic layered perovskite-type hybrids [(CnH2n+1NH3)2PbI4] (n = 12, 14, 16 and 18)","New Journal of Chemistry","2008","32","10","1736","","10.1039/b805417g","","","0.71073","MoKα","","0.0835","0.0412","","","0.0952","0.1085","","","","","","0.895","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7052224","14.496","0.015","11.318","0.012","16.793","0.018","90","","102.403","0.01","90","","2691","5","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H35 N7 -","- C27 H35 N7 -","- C108 H140 N28 -","4","1","","Michael J. Hudson; Carole E. Boucher; Damien Braekers; Jean F. Desreux; Michael G. B. Drew; Mark R. St J. Foreman; Laurence M. Harwood; Clément Hill; Charles Madic; Frank Marken; Tristan G. A. Youngs","New bis(triazinyl) pyridines for selective extraction of americium(<small>III</small>)","New Journal of Chemistry","2006","30","8","1171","","10.1039/b514108g","","","0.71073","MoKα","","0.1778","0.0874","","","0.2086","0.2422","","","","","","0.937","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052820","13.379","0.0001","15.0967","0.0002","20.7767","0.0003","90","","103.767","0.0005","90","","4075.89","0.09","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C46.5 H50 N3 O12 -","- C46.5 H50 N3 O12 -","- C186 H200 N12 O48 -","4","1","","McConnell, Anna J.; Serpell, Christopher J.; Beer, Paul D.","Extending the family of heteroditopic calix[4]diquinone receptors for cooperative AND ion-pair recognition","New Journal of Chemistry","2012","36","1","102","","10.1039/c1nj20708c","","","0.71073","MoKα","","0.1113","0.0519","","0.0847","0.0595","0.0595","","","","","","1.0808","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7053011","10.8327","0.0011","20.919","0.003","13.3107","0.0014","90","","104.117","0.009","90","","2925.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","bis(1,3-diphenylpropane-1,3-dionato)(3- methylpyridine)oxovanadium(IV)","bis(1,3-diphenylpropane-1,3-dionato)(3-methylpyridine)oxovanadium(IV)","","- C36 H29 N O5 V -","- C36 H29 N O5 V -","- C144 H116 N4 O20 V4 -","4","1","","Stilinović, Vladimir; Bučar, Dejan-Krešimir; Halasz, Ivan; Meštrović, Ernest","VO⋯C interactions in crystal structures of oxovanadium-coordination compounds","New Journal of Chemistry","2013","37","3","619","","10.1039/c2nj40780a","","","0.71073","MoKα","","0.0743","0.0567","","","0.0942","0.1013","","","","","","1.12","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053056","17.1501","0.0005","11.1874","0.0009","20.5208","0.0011","90","","105.596","0.004","90","","3792.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H33 N8 O13 Sm Zn -","- C32 H33 N8 O13 Sm Zn -","- C128 H132 N32 O52 Sm4 Zn4 -","4","1","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0689","0.0477","","","0.1214","0.1292","","","","","","1.038","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053061","16.8588","0.0007","11.2386","0.0003","20.4501","0.001","90","","104.911","0.004","90","","3744.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H33 Cu Eu N8 O13 -","- C32 H33 Cu Eu N8 O13 -","- C128 H132 Cu4 Eu4 N32 O52 -","4","1","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0845","0.0516","","","0.1095","0.1202","","","","","","1.033","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053062","16.8607","0.0006","11.2122","0.0004","20.4234","0.0007","90","","104.879","0.003","90","","3731.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H33 Cu Gd N8 O13 -","- C32 H33 Cu Gd N8 O13 -","- C128 H132 Cu4 Gd4 N32 O52 -","4","1","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0881","0.0498","","","0.1138","0.1257","","","","","","1.038","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053128","10.619","0.003","5.43","0.002","14.639","0.005","90","","108.69","0.02","90","","799.6","0.5","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C6 H9 N5 O2 -","- C6 H9 N5 O2 -","- C24 H36 N20 O8 -","4","1","","Boland, Yves; Safin, Damir A.; Tinant, Bernard; Babashkina, Maria G.; Marchand-Brynaert, Jacqueline; Garcia, Yann","Routes to novel mono- and bis-tetrazole compounds: synthesis, spectroscopic and structural characterization","New Journal of Chemistry","2013","37","4","1174","","10.1039/c3nj00090g","","","0.71069","MoKα","","0.0433","0.04","","","0.1205","0.1231","","","","","","1.206","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053129","12.849","0.003","5.378","0.002","16.169","0.005","90","","102.5","0.02","90","","1090.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H11 N9 O -","- C7 H11 N9 O -","- C28 H44 N36 O4 -","4","1","","Boland, Yves; Safin, Damir A.; Tinant, Bernard; Babashkina, Maria G.; Marchand-Brynaert, Jacqueline; Garcia, Yann","Routes to novel mono- and bis-tetrazole compounds: synthesis, spectroscopic and structural characterization","New Journal of Chemistry","2013","37","4","1174","","10.1039/c3nj00090g","","","0.71069","MoKα","","0.0494","0.043","","","0.1102","0.1144","","","","","","1.116","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053566","10.6958","0.0008","11.0822","0.0006","15.5505","0.0014","90","","107.187","0.007","90","","1760.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C9 H18 N3 O9 P3 -","- C9 H18 N3 O9 P3 -","- C36 H72 N12 O36 P12 -","4","1","","Maxim, Catalin; Matni, Adil; Geoffroy, Michel; Andruh, Marius; Hearns, Nigel G. R.; Clérac, Rodolphe; Avarvari, Narcis","C3 symmetric tris(phosphonate)-1,3,5-triazine ligand: homopolymetallic complexes and its radical anion","New Journal of Chemistry","2010","34","10","2319","","10.1039/c0nj00204f","","","0.71073","MoKα","","0.088","0.0493","","","0.108","0.1273","","","","","","1.044","","","","has coordinates,has disorder","180089","2020-10-21","18:00:00",""
"7053650","13.975","0.006","11.39","0.005","14.556","0.007","90","","114.763","0.0019","90","","2103.9","1.6","103.15","","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H31 B F2 N2 -","- C23 H31 B F2 N2 -","- C92 H124 B4 F8 N8 -","4","1","","Yamashita, Makoto; Aramaki, Yoshitaka; Nozaki, Kyoko","Reduction of base-stabilized difluoroboranes to induce rearrangement reactions","New Journal of Chemistry","2010","34","8","1774","","10.1039/c0nj00363h","","","0.7107","MoKα","","0.0697","0.0585","","","0.1406","0.1493","","","","","","1.124","","","","has coordinates","180090","2020-10-21","18:00:00",""
"7053917","24.8803","0.001","13.4318","0.0004","28.8166","0.0011","90","","110.512","0.005","90","","9019.6","0.6","226","2","226","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Cl-gf, 226 K","2,4,6-triethyl-1,3,5-tris(4-chlorophenoxy)methylbenzene","","- C33 H33 Cl3 O3 -","- C33 H33 Cl3 O3 -","- C396 H396 Cl36 O36 -","12","3","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.1437","0.0717","","","0.1417","0.1786","","","","","","1.03","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053918","24.9516","0.001","13.4628","0.0004","28.8673","0.0011","90","","110.6","0.004","90","","9077","0.6","262","2","262","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Cl-gf, 262 K","2,4,6-triethyl-1,3,5-tris(4-chlorophenoxy)methylbenzene","","- C33 H33 Cl3 O3 -","- C33 H33 Cl3 O3 -","- C396 H396 Cl36 O36 -","12","3","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.1769","0.0753","","","0.1627","0.2145","","","","","","1.01","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053919","25.03","0.0011","13.4909","0.0005","28.938","0.0011","90","","110.676","0.005","90","","9142.3","0.7","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Cl-gf, 298 K","2,4,6-triethyl-1,3,5-tris(4-chlorophenoxy)methylbenzene","","- C33 H33 Cl3 O3 -","- C33 H33 Cl3 O3 -","- C396 H396 Cl36 O36 -","12","3","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.1864","0.071","","","0.1684","0.2235","","","","","","1.017","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053959","32.8046","0.0013","7.5551","0.0007","16.8736","0.0014","90","0.004","104.401","0.003","90","0.003","4050.6","0.5","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C18.5 H16 Cl N3 Ni O2 S3 -","- C18.5 H16 Cl N3 Ni O2 S3 -","- C148 H128 Cl8 N24 Ni8 O16 S24 -","8","2","","Diwan, Kiran; Chauhan, Ratna; Singh, Santosh K.; Singh, Bandana; Drew, Michael G. B.; Bahadur, Lal; Singh, Nanhai","Light harvesting properties of some new heteroleptic dithiocarbimate‒diamine/diimine complexes of Ni, Pd and Pt studied as photosensitizer in dye-sensitized TiO2 solar cells","New Journal of Chemistry","2014","38","1","97","","10.1039/c3nj00507k","","","0.71073","MoKα","","0.1484","0.0658","","","0.1271","0.1484","","","","","","0.849","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7054211","12.5225","0.0001","25.6792","0.0003","14.5478","0.0002","90","0.001","102.421","0.001","90","0.001","4568.61","0.09","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","para-sulfonatocalix(8)arene / 1,2-cis-cyclohexanediammonium cation","","","- C80 H104 N8 O40 S8 -","- C80 H104 N8 O40 S8 -","- C160 H208 N16 O80 S16 -","2","0.5","","Perret, Florent; Bonnard, Vanessa; Danylyuk, Oksana; Suwinska, Kinga; Coleman, Anthony W.","Conformational extremes in the supramolecular assemblies of para-sulfonato-calix[8]arene","New Journal of Chemistry","2006","30","7","987","","10.1039/b604349f","","","0.71073","MoKα","","0.2641","0.235","","","0.6173","0.6225","","","","","","2.689","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054388","10.9905","0.0003","22.1006","0.0005","13.0545","0.0004","90","","109.689","0.002","90","","2985.51","0.14","293","","293","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C33 H27 Cl N3 Ni O P S -","- C33 H27 Cl N3 Ni O P S -","- C132 H108 Cl4 N12 Ni4 O4 P4 S4 -","4","1","","Güveli, Şükriye; Koca, Atıf; Özdemir, Namık; Bal-Demirci, Tülay; Ülküseven, Bahri","Electrochemistry and structural properties of new mixed ligand nickel(ii) complexes based on thiosemicarbazone","New J. Chem.","2014","38","11","5582","","10.1039/C4NJ00556B","","","0.71073","MoKα","","0.0965","0.0952","","","0.2489","0.25","","","","","","1.082","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054389","16.6948","0.0003","10.9984","0.0002","16.9011","0.0004","90","","92.44","0.002","90","","3100.5","0.11","293","","293","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C35 H29 Cl N3 Ni O P S -","- C35 H29 Cl N3 Ni O P S -","- C140 H116 Cl4 N12 Ni4 O4 P4 S4 -","4","1","","Güveli, Şükriye; Koca, Atıf; Özdemir, Namık; Bal-Demirci, Tülay; Ülküseven, Bahri","Electrochemistry and structural properties of new mixed ligand nickel(ii) complexes based on thiosemicarbazone","New J. Chem.","2014","38","11","5582","","10.1039/C4NJ00556B","","","0.71073","MoKα","","0.041","0.0402","","","0.118","0.1191","","","","","","1.054","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054614","9.505","0.0002","11.258","0.0002","13.533","0.0003","90","","109.058","0.001","90","","1368.76","0.05","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Forder, Thomas R.; Jones, Matthew D.","Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA","New J. Chem.","2015","39","3","1974","","10.1039/C4NJ02228A","","","0.71073","MoKα","","0.0696","0.0458","","","0.1046","0.1182","","","","","","1.05","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7055161","19.887","0.0006","10.9789","0.0002","20.3062","0.0006","90","","117.855","0.004","90","","3919.9","0.2","190","","190","","","","101","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C42 H43 N O6 S4 -","- C42 H43 N O6 S4 -","- C168 H172 N4 O24 S16 -","4","1","","Botha, F.; Eigner, V.; Dvořáková, H.; Lhoták, P.","Arylation of thiacalix[4]arenes using organomercurial intermediates","New J. Chem.","2016","40","2","1104","","10.1039/C5NJ02427G","","","1.5418","CuKα","","0.062","0.0533","","0.1315","0.1218","0.1315","","","","","","0.8997","","","","has coordinates,has disorder","177898","2020-10-21","18:00:00",""
"7056152","14.7578","0.0015","7.6872","0.0009","17.2104","0.0018","90","","113.803","0.011","90","","1786.4","0.4","193","2","193","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C15 H23 I N2 O2 Pt -","- C15 H23 I N2 O2 Pt -","- C60 H92 I4 N8 O8 Pt4 -","4","1","","Ghosh, Biswa Nath; Schlecht, Sabine; Bauzá, Antonio; Frontera, Antonio","Mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of 3-substituted pyridines","New J. Chem.","2017","41","9","3498","","10.1039/C7NJ00337D","","","0.71073","MoKα","","0.029","0.0245","","","0.0638","0.065","","","","","","1.012","","","","has coordinates","196251","2020-10-21","18:00:00",""
"7056718","7.5438","0.0005","20.2116","0.0011","7.7385","0.0006","90","","110.717","0.009","90","","1103.61","0.14","297","2","297","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-trifluoromethylchromone-3-nitro-methyl","","- C11 H6 F3 N O4 -","- C11 H6 F3 N O4 -","- C44 H24 F12 N4 O16 -","4","1","","Alcivar León, Christian David; Echeverría, Gustavo A.; Piro, Oscar E.; Ulic, Sonia E.; Jios, Jorge Luis; Pereanez, Jaime A.; Henao Castañeda, Isabel Cristina; Pérez, Hiram","The role of non-covalent interactions in some 2-trifluoromethylchromones in the solid state.","New J. Chem.","2017","","","","","10.1039/C7NJ00481H","","","1.5418","CuKα","","0.1144","0.0757","","","0.2382","0.333","","","","","","1.133","","","","has coordinates","202373","2020-10-21","18:00:00",""
"7056826","7.4895","0.0004","28.0652","0.0015","9.2016","0.0006","90","","91.862","0.002","90","","1933.1","0.19","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H22 Cl3 N3 O Zr -","- C17 H22 Cl3 N3 O Zr -","- C68 H88 Cl12 N12 O4 Zr4 -","4","1","","Pinheiro, A. C.; da Silva, S. M.; Roisnel, T.; Kirillov, E.; Carpentier, J.-F.; Casagrande, Osvaldo L.","Synthesis and structural characterization of zirconium complexes supported by tridentate pyrrolide-imino ligands with pendant N-, O- and S-donor groups and their application in ethylene polymerization","New Journal of Chemistry","2018","42","2","1477","","10.1039/C7NJ04074A","","x-ray","0.71073","MoKα","","0.0458","0.0323","","","0.0654","0.0712","","","","","","1.049","","","","has coordinates","230302","2020-10-21","18:00:00",""
"7056827","15.6351","0.0004","7.2529","0.0002","16.5555","0.0003","90","","95.551","0.001","90","","1868.59","0.08","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H21 Cl2 N3 O Zr -","- C17 H21 Cl2 N3 O Zr -","- C68 H84 Cl8 N12 O4 Zr4 -","4","1","","Pinheiro, A. C.; da Silva, S. M.; Roisnel, T.; Kirillov, E.; Carpentier, J.-F.; Casagrande, Osvaldo L.","Synthesis and structural characterization of zirconium complexes supported by tridentate pyrrolide-imino ligands with pendant N-, O- and S-donor groups and their application in ethylene polymerization","New Journal of Chemistry","2018","42","2","1477","","10.1039/C7NJ04074A","","x-ray","0.71073","MoKα","","0.0342","0.0279","","","0.0717","0.0753","","","","","","1.053","","","","has coordinates","230302","2020-10-21","18:00:00",""
"7057001","9.9621","0.0009","11.8993","0.0012","14.2532","0.0013","90","","95.48","0.008","90","","1681.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","4-Methyl-<i>N</i>-(naphthalen-1-yl)benzenesulfonamidee","4-Methyl-<i>N</i>-(naphthalen-1-yl)benzenesulfonamide","","- C18 H16 N2 O2 S -","- C18 H16 N2 O2 S -","- C72 H64 N8 O8 S4 -","4","1","","Asiri, Abdullah M.; Hussain, Mohammad Musarraf; Arshad, Muhammad Nadeem; Rahman, Mohammed M.","A Ce2+ sensor based on napthalen-1-yl-methylene-benzenesulfonohydrazide (NMBSH) molecules: ecological sample analysis","New Journal of Chemistry","2018","42","6","4465","","10.1039/C7NJ05109C","","","0.71073","MoKα","","0.0826","0.049","","","0.1227","0.1438","","","","","","1.029","","","","has coordinates","230315","2020-10-21","18:00:00",""
"7057555","9.2975","0.0009","20.6352","0.0018","12.8103","0.0009","90","","99.4","0.008","90","","2424.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","N,N'-(cyclohexane-1,2-diyl)bis(2,5-dimethoxybenzenesulfonamide)","N,N'-(cyclohexane-1,2-diyl)bis(2,5-dimethoxybenzenesulfonamide)","","- C22 H30 N2 O8 S2 -","- C22 H30 N2 O8 S2 -","- C88 H120 N8 O32 S8 -","4","1","","Sheikh, Tahir Ali; Arshad, Muhammad Nadeem; Asiri, Abdullah M.; Rahman, Mohammed M.","Development of a selective and sensitive Ga3+ sensor for environmental safety: a comparative study of cyclohexyl and aromatic bis-sulphonamide fabricated glassy carbon electrodes","New Journal of Chemistry","2018","42","16","13589","","10.1039/C8NJ02255K","","","0.7107","MoKα","","0.1541","0.0613","","","0.1067","0.1458","","","","","","0.983","","","","has coordinates","230342","2020-10-21","18:00:00",""
"7057781","9.2","0.03","6.33","0.019","11.25","0.03","90","","108.39","0.03","90","","622","3","298","2","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H18 N4 O2 -","- C12 H18 N4 O2 -","- C24 H36 N8 O4 -","2","0.5","","Ji, Bao-Qian; Jagodič, Marko; Ma, Hui-Yan; Su, Hai-Feng; Li, Yun-Wu; Tung, Chen-Ho; Sun, Di","Solution behavior and magnetic properties of a novel nonanuclear copper(ii) cluster","New Journal of Chemistry","2018","42","22","17884","","10.1039/C8NJ04230F","","x-ray","0.71073","MoKα","","0.1616","0.0683","","","0.1355","0.1704","","","","","","0.97","","","","has coordinates","230206","2020-10-21","18:00:00",""
"7058893","7.1228","0.0001","22.3349","0.0005","10.4326","0.0002","90","","100.566","0.001","90","","1631.55","0.05","160","2","160","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H18 N O6 V -","- C16 H18 N O6 V -","- C64 H72 N4 O24 V4 -","4","1","","Salifoglou, Thanos; Tsave, Olga; Halevas, Eleftherios; Yavropoulou, Maria G.; Yovos, John G.; Hatzidimitriou, Antonios; Psycharis, Vassilis; Ypsilantis, Konstantinos; Stathi, Panagiota","V(V)-Schiff base species induce adipogenesis through structure-specific influence of genetic targets.","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02520K","","","1.54178","CuKα","","0.0639","0.0509","","","0.1344","0.1454","","","","","","1.047","","","","has coordinates","219380","2020-10-21","18:00:00",""
"7059693","14.659","0.004","7.247","0.002","18.776","0.006","90","","106.108","0.005","90","","1916.3","1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C19 H23 Cu N3 O S -","- C19 H23 Cu N3 O S -","- C76 H92 Cu4 N12 O4 S4 -","4","1","","Khan, Samim; Halder, Soumi; Dey, Arka; Dutta, Basudeb; Pratim Ray, Partha; Chattopadhyay, Shouvik","Synthesis of an electrically conductive square planar copper(ii) complex and its utilization in the fabrication of a photosensitive Schottky diode device and DFT study","New Journal of Chemistry","2020","44","27","11622","11630","10.1039/D0NJ02162H","","","0.71073","MoKα","","0.0547","0.0407","","","0.1045","0.1119","","","","","","1.079","","","","has coordinates,has disorder","257677","2020-10-21","18:00:00",""
"7059715","15.048","0.002","21.675","0.003","16.615","0.002","90","","93.091","0.008","90","","5411.4","1.2","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","SA_30","SA_30","","- C27 H38 Cl2 Cu N2 O3 -","- C27 H38 Cl2 Cu N2 O3 -","- C216 H304 Cl16 Cu8 N16 O24 -","8","2","","Roy, Satabdi; Banerjee, Atanu; Lima, Sudhir; Horn Jr, Adolfo; Sampaio, Raquel M. S. N.; Ribeiro, Nádia; Correia, Isabel; Avecilla, Fernando; Carvalho, M. Fernanda N. N.; Kuznetsov, Maxim L.; Pessoa, João Costa; Kaminsky, Werner; Dinda, Rupam","Unusual chemistry of Cu(ii) salan complexes: synthesis, characterization and superoxide dismutase activity","New Journal of Chemistry","2020","44","27","11457","11470","10.1039/D0NJ01892A","","","0.71073","MoKα","","0.1662","0.0875","","","0.2096","0.2579","","","","","","1.026","","","","has coordinates","295677","2024-10-30","18:34:33",""
"7060066","8.56","0.002","22.75","0.005","11.02","0.003","90","","111.64","0.003","90","","1994.8","0.8","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C42 H32 Cu2 F6 N2 O10 -","- C42 H32 Cu2 F6 N2 O10 -","- C84 H64 Cu4 F12 N4 O20 -","2","0.5","","Mahesha,; Hema, M. K.; Karthik, C. S.; Pampa, K. J.; Mallu, P.; Lokanath, N. K.","Solvent induced mononuclear and dinuclear mixed ligand Cu(ii) complex: structural diversity, supramolecular packing polymorphism and molecular docking studies","New Journal of Chemistry","2020","44","41","18048","18068","10.1039/D0NJ03567J","","","0.71073","MoKα","","0.1402","0.0847","","","0.2083","0.2506","","","","","","0.985","","","","has coordinates","258894","2020-11-06","12:42:36",""
"7060089","7.5686","0.0004","21.7486","0.0011","8.2075","0.0004","90","","105.783","0.002","90","","1300.07","0.11","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H12 N2 Se2 -","- C12 H12 N2 Se2 -","- C48 H48 N8 Se8 -","4","1","","Huynh, Huu-Tri; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc","Chalcogen bonding interactions in chelating, chiral bis(selenocyanates)","New Journal of Chemistry","2021","45","1","76","84","10.1039/D0NJ05293K","","x-ray","0.71073","MoKα","","0.0333","0.027","","","0.0637","0.066","","","","","","1.067","","","","has coordinates,has disorder","261720","2021-02-04","23:24:36",""
"7060090","7.1221","0.0004","28.6165","0.0013","8.66","0.0005","90","","105.763","0.002","90","","1698.62","0.16","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H16 N3 Se2 -","- C17 H16 N3 Se2 -","- C68 H64 N12 Se8 -","4","1","","Huynh, Huu-Tri; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc","Chalcogen bonding interactions in chelating, chiral bis(selenocyanates)","New Journal of Chemistry","2021","45","1","76","84","10.1039/D0NJ05293K","","x-ray","0.71073","MoKα","","0.0575","0.0367","","","0.067","0.0717","","","","","","1.085","","","","has coordinates","261720","2021-02-04","23:24:36",""
"7060218","11.436","0.005","23.8","0.005","11.895","0.005","90","","111.805","0.005","90","","3005.9","1.9","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H28 N4 O13 Sm Zn -","- C23 H28 N4 O13 Sm Zn -","- C92 H112 N16 O52 Sm4 Zn4 -","4","1","","Verma, Abhineet; Hossain, S. K. Saddam; Sunkari, Sailaja S.; Reibenspies, Joseph; Saha, Satyen","Ligand influence versus electronic configuration of d-metal ion in determining the fate of NIR emission from LnIII ions: a case study with CuII, NiII and ZnII complexes","New Journal of Chemistry","2021","45","5","2696","2709","10.1039/D0NJ04020G","","","0.71073","MoKα","","0.1539","0.1067","","","0.1944","0.2177","","","","","","1.166","","","","has coordinates,has disorder","262684","2021-03-05","02:17:38",""
"7061852","12.51","0.0002","14.7339","0.0003","12.876","0.0003","90","","108.979","0.001","90","","2244.3","0.08","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C21 H28 Cl2 N2 Ru S -","- C21 H28 Cl2 N2 Ru S -","- C84 H112 Cl8 N8 Ru4 S4 -","4","1","","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","","0.0646","0.0429","","","0.0878","0.0955","","","","","","0.999","","","","has coordinates","279025","2022-11-07","05:46:10",""
"7061862","9.0819","0.0004","26.5743","0.0013","11.1669","0.0006","90","","90.582","0.003","90","","2694.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H27 Ir N8 S2 -","- C20 H27 Ir N8 S2 -","- C80 H108 Ir4 N32 S8 -","4","1","","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","","0.0809","0.057","","","0.1361","0.1446","","","","","","1.287","","","","has coordinates,has disorder","279025","2022-11-07","05:47:07",""
"7063398","7.3698","0.0005","20.7261","0.0015","11.6141","0.0008","90","","99.476","0.006","90","","1749.8","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C21 H13 B F5 N3 -","- C21 H13 B F5 N3 -","- C84 H52 B4 F20 N12 -","4","1","","Martyanova, Elena G.; Martyanov, Timofey P.; Tomilin, Denis N.; Ushakov, Igor A.; Korchagin, Denis V.; Spirin, Maxim G.; Razumov, Vladimir F.; Sobenina, Lyubov N.; Trofimov, Boris A.","Pyridyl-BODIPY dyes: synthesis, optical properties and adsorption on CdSe quantum dots","New Journal of Chemistry","2024","48","34","15036","15044","10.1039/D4NJ02588A","","","0.7107","MoKα","","0.0614","0.0428","","","0.0949","0.1035","","","","","","1.024","","","","has coordinates","294608","2024-09-06","01:44:58",""
"7100376","12.028","0.009","5.654","0.004","12.89","0.01","90","","99.2","0.06","90","","865","1","93.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","methylammonium anthracene-2,6-disulfonate","","","- C8 H10 N O3 S -","- C8 H10 N O3 S -","- C32 H40 N4 O12 S4 -","4","1","","Y. Mizobe; N. Tohnai; M. Miyata; Y. Hasegawa","Tunable solid-state fluorescence system consisted of organic salts of anthracene-2,6-disulfnic acid with primary amines","Chemical Communications","2005","","","","","10.1039/b418241c","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100504","10.19","0.008","11.219","0.003","11.646","0.002","90","","100.37","0.03","90","","1309.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C11 H15 I N2 O Pd -","- C11 H15 I N2 O Pd -","- C44 H60 I4 N8 O4 Pd4 -","4","1","","Daniel Sole; Merce Font-Bardia; Xavier Solans; Lluis Vallverdu","Synthesis of novel palladium OCN-pincer complexes: Unprecedented sequential C(sp3)-H activation and aerobic oxidation in the reaction of N,N-dialkyl-3-[(N,N-dimethylamino)methyl]-2-iodoanilines with Pd2(dba)3","Chemical Communications","2005","","","","","10.1039/b502854j","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100756","17.0589","0.0006","7.3377","0.0003","17.286","0.0007","90","","118.849","0.002","90","","1895.21","0.13","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H28 O5 -","- C22 H28 O5 -","- C88 H112 O20 -","4","1","","Young Keun Chung; Do Han Kim","Tandem Pauson-Khand reaction and Diels-Alder reaction for access to polycycles in a one-pot reaction","Chemical Communications","2005","","","","","10.1039/b413918f","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7101478","11.2794","0.0012","13.6313","0.0014","12.1349","0.0013","90","","113.856","0.01","90","","1706.4","0.3","291","2","291","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C11 H15 Fe2 N O5 S2 -","- C11 H15 Fe2 N O5 S2 -","- C44 H60 Fe8 N4 O20 S8 -","4","1","","Sascha Ott; Jesper Ekstrom; Reiner Lomoth; Lennart Schwartz","Dynamic ligation at the first amine-coordinated iron hydrogenase active site mimic","Chemical Communications","2006","","40","","","10.1039/b608260b","","","0.71073","MoKα","","0.0776","0.0492","","","0.132","0.1455","","","","","","1.063","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7102153","12.156","0.009","9.139","0.007","23.765","0.012","90","","95","0.09","90","","2630","3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H70 Co Mo2 N2 O23 -","- C38 H34 Co Mo2 N2 O23 -","- C76 H68 Co2 Mo4 N4 O46 -","2","0.5","","Khatua, Snehadrinarayan; Harada, Takunori; Kuroda, Reiko; Bhattacharjee, Manish","Solvent dependent assembly and disassembly of a hydrogen bonded helical structure in a Co-Mo bimetallic complex.","Chemical communications (Cambridge, England)","2007","","38","3927","3929","10.1039/b705891h","","","0.71073","MoKα","","0.1855","0.1036","","","0.2681","0.3244","","","","","","1.097","","","","has coordinates","180123","2020-10-21","18:00:00",""
"7102259","10.934","0.001","20.635","0.002","18.842","0.002","90","","100.24","0.02","90","","4183.5","0.8","293","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C33.81 H45.81 Cl7.43 N4 Ni O3 -","- C33.81 H45.81 Cl7.43 N4 Ni O3 -","- C135.24 H183.24 Cl29.72 N16 Ni4 O12 -","4","1","","Rotthaus, Olaf; Jarjayes, Olivier; Perez Del Valle, Carlos; Philouze, Christian; Thomas, Fabrice","A versatile electronic hole in one-electron oxidized NiIIbis-salicylidene phenylenediamine complexes.","Chemical communications (Cambridge, England)","2007","","43","4462","4464","10.1039/b710027b","","","0.71073","MoKα","","0.0619","0.0619","","0.0754","","0.0754","","","1.943","","","1.943","","","","has coordinates","193994","2020-10-21","18:00:00",""
"7102386","10.669","0.006","13.041","0.008","12.062","0.009","90","","93.18","0.05","90","","1675.6","1.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","3-Aza-2-ethyl-5-methoxycarbonyl-9,10,11- trimethoxybicyclo(5.4.0)undeca-1(7),2,5,8,10-pentaene","3-Aza-2-ethyl-5-methoxycarbonyl-9,10,11- trimethoxybicyclo[5.4.0]undeca-1(7),2,5,8,10- pentaene","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Basavaiah, Deevi; Satyanarayana, Tummanapalli","A novel, tandem construction of C-N and C-C bonds: facile and one-pot transformation of the Baylis-Hillman adducts into 2-benzazepines.","Chemical communications (Cambridge, England)","2004","","1","32","33","10.1039/b310550d","","","0.71073","MoKα","","0.1198","0.0569","","","0.1845","0.2709","","","","","","0.854","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102387","8.096","0.005","16.436","0.008","10.159","0.008","90","","98.73","0.05","90","","1336.1","1.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","3-Aza-2-ethyl-5-methoxycarbonyl-9,10- methylenedioxybicyclo(5.4.0)undeca-1(7),2,5,8,10-pentaene","3-Aza-2-ethyl-5-methoxycarbonyl-9,10- methylenedioxybicyclo[5.4.0]undeca- 1(7),2,5,8,10-pentaene","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Basavaiah, Deevi; Satyanarayana, Tummanapalli","A novel, tandem construction of C-N and C-C bonds: facile and one-pot transformation of the Baylis-Hillman adducts into 2-benzazepines.","Chemical communications (Cambridge, England)","2004","","1","32","33","10.1039/b310550d","","","0.71073","MoKα","","0.0795","0.0441","","","0.1081","0.1254","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102631","19.9186","0.0004","16.1616","0.0003","22.6453","0.0005","90","","91.4827","0.0006","90","","7287.5","0.3","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C85 H87 B2 N9 O6 -","- C85 H87 B2 N9 O6 -","- C340 H348 B8 N36 O24 -","4","1","","Kazuki Sada; Shigeru Sakamoto; Seiji Shinkai; Takahiro Sugimoto; Kentaro Yamaguchi","A one-dimentional array with controlled length from a PYBOX dimer with flexible oligo(sec-dialkylammonium cations)","Chemical communications (Cambridge, England)","2004","","10","1226","1227","10.1039/b316204d","","","1.5418","CuKα","","","0.0953","","","","0.2388","","","","","","2.652","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102937","17.841","0.0003","6.4751","0.0001","17.9281","0.0003","90","","118.216","0.0008","90","","1825","0.05","200","","200","","","","","","","","local","3","P 1 21/a 1","-P 2yab","14","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Miller, Natalie A; Willis, Anthony C; Sherburn, Michael S","Formal total synthesis of triptolide.","Chemical communications (Cambridge, England)","2008","","10","1226","1228","10.1039/b718754h","","","0.71073","MoKα","","0.0464","0.032","","0.0459","0.0379","0.0379","","","","","","1.068","","","","has coordinates","180131","2020-10-21","18:00:00",""
"7102939","22.0658","0.0004","6.9171","0.0001","24.1734","0.0004","90","","115.503","0.0008","90","","3330.12","0.1","200","","200","","","","","","","","local","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H24 O3 -","- C20 H24 O3 -","- C160 H192 O24 -","8","2","","Miller, Natalie A; Willis, Anthony C; Sherburn, Michael S","Formal total synthesis of triptolide.","Chemical communications (Cambridge, England)","2008","","10","1226","1228","10.1039/b718754h","","","0.71073","MoKα","","0.0948","0.041","","0.0401","0.0356","0.0356","","","","","","1.1332","","","","has coordinates","180131","2020-10-21","18:00:00",""
"7103723","18.147","0.01","29.799","0.008","18.392","0.005","90","","98.63","0.04","90","","9833","7","120","2","120","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C105.6 H106.8 B2 Cl1.6 N6 O9.8 Zn2 -","- C105.6 H101 B2 Cl1.6 N6 O9.8 Zn2 -","- C422.4 H404 B8 Cl6.4 N24 O39.2 Zn8 -","4","1","","Cronin, Leroy; Walton, Paul H.","Synthesis and structure of [Zn(OMe)(L)]·[Zn(OH)(L)]·2(BPh4), L = cis,cis-1,3,5-tris[(E,E)-3-(2-furyl)acrylideneamino]cyclohexane: structural models of carbonic anhydrase and liver alcohol dehydrogenase","Chemical Communications (Cambridge, United Kingdom)","2003","","13","1572","1573","10.1039/b302895j","","","0.71069","MoKα","","0.2147","0.0984","","","0.2631","0.3196","","","","","","1.042","","","","has coordinates","210391","2020-10-21","18:00:00",""
"7103785","15.92","0.02","17.51","0.03","16.8","0.02","90","","95.16","0.13","90","","4666","12","180","2","180","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C46 H64 N3 O3 Si2 Y -","- C46 H64 N3 O3 Si2 Y -","- C184 H256 N12 O12 Si8 Y4 -","4","1","","Peter Scott; Kevin M. Gillespie; Paul D. Knight; Colin Morton; O.Paul N","Chiral-at-metal organolanthanides: enantioselective aminoalkene hydroamination/cyclisation with non-cyclopentadienyls","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b305105f","","","0.71073","MoKα","","0.3134","0.1607","","","0.3003","0.3725","","","","","","1.009","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7103815","15.986","0.005","17.475","0.003","15.193","0.003","90","","91.69","0.02","90","","4243","1","153","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C36 H63 Fe2 N3 O16 -","- C36 H57 Fe2 N3 O16 -","- C144 H228 Fe8 N12 O64 -","4","1","","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","","","0.0402","","","","0.0611","","","","","","1.306","","","","has coordinates","210665","2020-10-21","18:00:00",""
"7103887","12.4693","0.0011","38.768","0.005","7.7351","0.0002","90","","91.199","0.0004","90","","3738.4","0.6","298","","298","","","","","","","","synthesized by the authors","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H24 Cl4 Ga S16 -","- C24 H24 Cl4 Ga S16 -","- C96 H96 Cl16 Ga4 S64 -","4","1","","Yamada, Jun-ichi; Toita, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi; Choi, Eun S.; Graf, David; Brooks, James S.","A new organic superconductor, β-(BDA-TTP)2GaCl4 [BDA-TTP = 2,5-(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene]","Chemical Communications (Cambridge, United Kingdom)","2003","","17","2230","2231","10.1039/b306314c","","","0.7107","MoKα","","0.092","0.0547","","0.0638","","0.0534","","","","","","1.1052","","","","has coordinates","209729","2020-10-21","18:00:00",""
"7103893","11.5324","0.0003","7.7618","0.0002","15.9992","0.0005","90","","102.465","0.001","90","","1398.36","0.07","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 V2 -","- C18 H16 V2 -","- C72 H64 V8 -","4","1","","Jones, Simon C.; O'Hare, Dermot","[V(η5-C5H5)]2C8H6: a bimetallic pentalene-bridged complex with multiple bonding between the metal atoms","Chemical Communications (Cambridge, United Kingdom)","2003","","17","2208","2209","10.1039/b306688f","","x-ray","0.71073","MoKα","","0.054","0.0329","","","0.0705","0.0787","","","","","","1.022","","","","has coordinates","210393","2020-10-21","18:00:00",""
"7104074","9.074","0.001","20.222","0.002","16.503","0.002","90","","104.87","0.02","90","","2926.6","0.6","293","2","223","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","7,8,15,16, 23,24,31,32-Octabutyl-33,34,35,36,37,38-hexathia-heptacyclo [28,2,1^6,9^,1^10,13^,1^14,17^,1^22,25^,1^26,29^,1^1,30^]-1(32),6,8,10,12,14, 16,22,24,26,28,30-dodecaene-2,4,18,20-tetrayne","","- C64 H76 S6 -","- C64 H76 S6 -","- C128 H152 S12 -","2","0.5","","Fuhrmann, Gerda; Debaerdemaeker, Tony; Bäuerle, Peter","C‒C bond formation through oxidatively induced elimination of platinum complexes—A novel approach towards conjugated macrocycles","Chemical Communications (Cambridge, United Kingdom)","2003","","8","948","949","10.1039/b300542a","","","0.71073","MoKα","","0.0514","0.0331","","","0.0755","0.0798","","","","","","0.945","","","","has coordinates","210425","2020-10-21","18:00:00",""
"7104678","15.291","0.005","24.074","0.009","24.824","0.009","90","","90.017","0.009","90","","9138","6","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C107 H75 N4 O4 S -","- C107 H75 N4 O4 S -","- C428 H300 N16 O16 S4 -","4","1","","Honda, Tatsuhiko; Kojima, Takahiko; Fukuzumi, Shunichi","Crystal structures and properties of a monoprotonated porphyrin.","Chemical communications (Cambridge, England)","2009","34","33","4994","4996","10.1039/b910077f","","","0.7107","MoKα","","0.156","0.1052","","","0.2919","0.3302","","","","","","1.006","","","","has coordinates,has disorder","180149","2020-10-21","18:00:00",""
"7104773","15.4253","0.0009","16.0157","0.0008","18.8913","0.0008","90","","90.044","0.004","90","","4667","0.4","193","2","193","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C41 H43.8 Cl3 N8 O13.4 -","- C41 H43 Cl3 N8 O12.4 -","- C164 H172 Cl12 N32 O49.6 -","4","1","","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","","0.1356","0.0944","","","0.2305","0.2587","","","","","","1.007","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7104811","10.5104","0.001","20.1035","0.0018","15.8198","0.0014","90","","90.99","0.004","90","","3342.2","0.5","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Bis(N-tButyl(perfluorophenyl)amidate)titanium-bis(diethylamide)","","- C30 H38 F10 N4 O2 Ti -","- C30 H38 F10 N4 O2 Ti -","- C120 H152 F40 N16 O8 Ti4 -","4","1","","Li, Chunyu; Thomson, Robert K.; Gillon, Bronwyn; Patrick, Brian O.; Schafer, Laurel L.","Amidate complexes of titanium and zirconium: a new class of tunable precatalysts for the hydroamination of alkynes","Chemical Communications (Cambridge, United Kingdom)","2003","","19","2462","2463","10.1039/b304176j","","","0.71073","MoKα","","0.1398","0.1039","","","0.259","0.2757","","","","","","1.107","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7104871","17.1694","0.0006","9.0939","0.0004","18.5947","0.0006","90","","109.099","0.002","90","","2743.5","0.2","150.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H36 Fe N2 O Si -","- C30 H36 Fe N2 O Si -","- C120 H144 Fe4 N8 O4 Si4 -","4","1","","Iwata, Masatoshi; Okazaki, Masaaki; Tobita, Hiromi","Insertion of pyridine into an iron‒silicon bond: structure of the product Cp*(CO)Fe{η3(C,C,C)-C5H5NSiMe2NPh2}","Chemical Communications (Cambridge, United Kingdom)","2003","","21","2744","2745","10.1039/b308885e","","","0.7107","MoKα","","","0.0515","","","","0.132","","","","","","1.412","","","","has coordinates","210499","2020-10-21","18:00:00",""
"7105199","10.286","0.003","16.713","0.004","11.099","0.003","90","0.002","112.789","0.002","90","0.002","1759","0.7","123.2","","123.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C23 H26 O2 -","- C23 H26 O2 -","- C92 H104 O8 -","4","1","","Matsuo, Jun-Ichi; Sasaki, Shun; Hoshikawa, Takaya; Ishibashi, Hiroyuki","Intramolecular formal [4+2] cycloaddition of 3-ethoxycyclobutanones and alkenes.","Chemical communications (Cambridge, England)","2010","46","6","934","936","10.1039/b919332d","","","0.7107","MoKα","","","0.0792","","","","0.0962","","","","","","1.136","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105445","9.7517","0.0005","13.5852","0.0007","11.0154","0.0004","90","","95.266","0.003","90","","1453.15","0.12","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H21 N O3 -","- C15 H21 N O3 -","- C60 H84 N4 O12 -","4","1","","Smith, Keith; El-Hiti, Gamal A; Hegazy, Amany S","One-pot synthesis of substituted isoindolin-1-ones via lithiation and substitution of N'-benzyl-N,N-dimethylureas.","Chemical communications (Cambridge, England)","2010","46","16","2790","2792","10.1039/b926983e","","","0.71073","MoKα","","0.1349","0.0725","","","0.1445","0.1704","","","","","","1.049","","","","has coordinates","180158","2020-10-21","18:00:00",""
"7106335","7.8824","0.0004","13.2869","0.0007","17.5082","0.0009","90","","98.799","0.003","90","","1812.1","0.16","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","gold-yj","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C80 H84 N4 O12 S4 -","4","1","","Youjung Park; Sun Young Kim; Ji Hoon Park; Jieun Cho; Youn Kyung Kang; Young Keun Chung","Gold(I)-catalyzed cycloisomerization of alkynyl hydroxyallyl tosylamides to 4-oxa-6-azatricyclo[3.3.0.02,8]octanes","Chem.Commun.","2011","47","","5190","","10.1039/c1cc10907c","","","0.71073","MoKα","","0.0996","0.0516","","","0.1192","0.1383","","","","","","1.029","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106364","8.519","0.006","23.699","0.015","10.892","0.007","90","","110.026","0.007","90","","2066","2","113","2","113","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","3a","","","- C16 H17 Cl2 F6 N Si Ti -","- C16 H17 Cl2 F6 N Si Ti -","- C64 H68 Cl8 F24 N4 Si4 Ti4 -","4","1","","Hayato Tsurugi; Haruki Nagae; Kazushi Mashima","First isolation of fully delocalized mixed-valent imido-bridged [Ti2]7+ complexes by one-electron reduction of [(C5R5)TiCl]2(m-NAr)2","Chem.Commun.","2011","47","","5620","","10.1039/c1cc10757g","","","0.71075","MoKα","","0.0798","0.0608","","","0.1735","0.2014","","","","","","1.119","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106456","18.33","0.007","18.284","0.006","18.673","0.007","90","","110.23","0.004","90","","5872","4","173","2","173","2","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C57 H73 Cl2 Cu F6 N O P2 Sb -","- C57 H73 Cl1.98 Cu F6 N O P2 Sb -","- C228 H292 Cl7.92 Cu4 F24 N4 O4 P8 Sb4 -","4","1","","Yumiko Nakajima; Yu Shiraishi; Takahiro Tsuchimoto; Fumiyuki Ozawa","Synthesis and coordination behavior of Cy(I) bis(phosphaethenyl)pyridine complexes.","Chem.Commun.","2011","47","","6332","","10.1039/c1cc11315a","","","0.71073","MoKα","","0.1099","0.1005","","","0.3153","0.3193","","","","","","1.992","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106562","13.2664","0.0005","38.8979","0.0015","20.6041","0.0008","90","","102.919","0.001","90","","10363.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C83H66F42N31Ag7","","","- C83 H66 Ag7 F42 N31 -","- C83 H66 Ag7 F42 N31 -","- C332 H264 Ag28 F168 N124 -","4","1","","Chi Yang; Oussama Elbjeirami; Chammi S. Palehepitiya Gamage; H. V. Rasika Dias; Mohammad A. Omary","Luminescence enhancement and tuning via multiple cooperative supramolecular interactions in an ion-paired multinuclear complex","Chem.Commun.","2011","47","","7434","","10.1039/c1cc11161b","","","0.71073","MoKα","","0.0546","0.0424","","","0.0916","0.1134","","","","","","1.179","","","","has coordinates,has disorder","180169","2020-10-21","18:00:00",""
"7106672","18.0991","0.0003","10.0405","0.0002","18.2608","0.0003","90","","113.74","0.001","90","","3037.62","0.1","93","2","93","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H42 B F2 N3 O4 -","- C30 H42 B F2 N3 O4 -","- C120 H168 B4 F8 N12 O16 -","4","1","","Hiromitsu Maeda; Kota Kinoshita; Kazumasa Naritani; Yuya Bando","Self-sorting self-complementary assemblies of p-conjugated acyclic anion receptors","Chem.Commun.","2011","47","","8241","","10.1039/c1cc12120k","","","1.54187","CuKα","","0.1144","0.072","","","0.1867","0.2205","","","","","","1.219","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106785","13.9007","0.0006","7.1927","0.0005","19.9931","0.0012","90","","106.473","0.003","90","","1916.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H27 Al F N3 O6 -","- C17 H27 Al F N3 O6 -","- C68 H108 Al4 F4 N12 O24 -","4","1","","Dinesh Shetty; Soo Young Choi; Jae Jeong; Ji Youn Lee; Lathika Hoigebazar; Yun-Sang Lee; Dong Soo Lee; June-Key Chung; Myung Chul Lee; Young Keun Chung","Stable aluminium fluoride chelates with triazacyclononane derivatives proved by X-ray crystallography and 18F-labeling study","Chem.Commun.","2011","47","","9732","","10.1039/c1cc13151f","","","0.71073","MoKα","","0.0905","0.0499","","","0.1051","0.1222","","","","","","1.008","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106976","12.0342","0.0009","16.482","0.003","12.6028","0.0016","90","","111.669","0.013","90","","2323.1","0.6","200","2","200","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C48 H54 Li6 O18 -","- C48 H54 Li6 O18 -","- C96 H108 Li12 O36 -","2","0.5","","Mayte Munoz; Carmen Urbaneja; Manuel Temprado; Marta E. G. Mosquera; Tomas Cuenca","Lewis acid fragmentation of a lithium aryloxide cage: generation of new heterometallic aluminium-lithium species","Chem.Commun.","2011","47","42","11757","11759","10.1039/c1cc14577k","","","0.71073","MoKα","","0.1007","0.0555","","","0.1258","0.1457","","","","","","1.026","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7107874","11.28","0.0005","14.75","0.0005","15.584","0.0007","90","","95.303","0.0017","90","","2581.77","0.19","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H36 N4 P2 Se4 -","- C16 H36 N4 P2 Se4 -","- C64 H144 N16 P8 Se16 -","4","1","","Tristram Chivers; Andreas Nordheider; Ramalingam Thirumoorthi; Ignacio Vargas-Baca; J. Derek Woollins","Planar P6E6 (E = Se, S) macrocycles incorporating P2N2 scaffolds","Chem.Commun.","2012","48","","6346","","10.1039/c2cc32809g","","","0.71073","MoKα","","0.1259","0.0798","","","0.1465","0.1728","","","","","","1.151","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7108517","7.714","0.004","18.219","0.01","8.198","0.005","90","","97.004","0.005","90","","1143.6","1.1","569","2","569","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H9 I O2 -","- C12 H9 I O2 -","- C48 H36 I4 O8 -","4","1","","Hai-Tao Zhu; Xue Dong; Li-Jing Wang; Mei-Jin Zhong; Xue-Yuan Liu; Yong-Min Liang","Facile synthesis of 2-iodo-spiro[indene-1,1'-isobenzofuran]-3'-ones via iodine-promoted cascade cyclization","Chem.Commun.","2012","48","","10748","","10.1039/c2cc36127b","","","0.71073","MOKα","","0.0594","0.041","","","0.085","0.0972","","","","","","1.06","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7109311","9.3552","0.0005","6.626","0.0004","11.1029","0.0005","90","","101.373","0.0012","90","","674.73","0.06","120","","120","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H2 N O2 -","- C9 H2 N O2 -","- C36 H8 N4 O8 -","4","1","","Shin-ichiro Kawano; Martin Baumgarten; Dennis Chercka; Volker Enkelmann; Klaus Mullen","Electron donors and acceptors based on 2,7-functionalized pyrene-4,5,9,10-tetraone","Chem.Commun.","2013","49","","5058","","10.1039/c3cc39141h","","","0.71073","MoKα","","0.0905","0.0425","","0.0526","0.0514","0.0514","","","","","","1.0867","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109388","8.6562","0.0009","19.9373","0.0018","12.6769","0.0015","90","","102.331","0.012","90","","2137.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H10 F3 N O -","- C11 H10 F3 N O -","- C88 H80 F24 N8 O8 -","8","2","","Yu-Tao He; Lian-Hua Li; Yan-Fang Yang; Yu-Qi Wang; Jian-Yi Luo; Xue-Yuan Liu; Yong-Min Liang","Copper-catalyzed synthesis of trifluoromethyl-substituted isoxazolines","Chem.Commun.","2013","49","","5687","","10.1039/c3cc42588f","","","0.71073","MoKα","","0.2245","0.1012","","","0.2881","0.3854","","","","","","1.029","","","","has coordinates,has disorder","180197","2020-10-21","18:00:00",""
"7109391","6.8562","0.0012","20.45","0.004","9.9565","0.0018","90","","102.657","0.002","90","","1362.1","0.4","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H12 N2 O5 Pd -","- C13 H12 N2 O5 Pd -","- C52 H48 N8 O20 Pd4 -","4","1","","Tetsushi Yoshidomi; Yasutomo Segawa; Kenichiro Itami","Pyridine-based dicarbene ligand; synthesis and structure of a bis-2-pyridylidene palladium complex","Chem.Commun.","2013","49","","5648","","10.1039/c3cc42655f","","","0.7107","MoKα","","0.0327","0.0289","","","0.0713","0.0738","","","","","","1.067","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109703","11.9922","0.0012","8.6729","0.0005","16.3046","0.0011","90","","94.157","0.008","90","","1691.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H13 F6 N S -","- C17 H13 F6 N S -","- C68 H52 F24 N4 S4 -","4","1","","Shouzhi Pu; Chunhong Zheng; Qi Sun; Gang Liu; Congbin Fan","Enhancement of cyclization quantum yields of perfluorodiarylethenes via weak intramolecular interactions","Chem.Commun.","2013","49","","8036","","10.1039/c3cc44348e","","","0.71073","MoKα","","0.0899","0.0542","","","0.1204","0.1474","","","","","","1.059","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7110399","9.919","0.004","12.587","0.005","11.624","0.005","90","","112.71","0.03","90","","1338.7","1","293.2","","293.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Arai, Shigeru; Shirai, Yoshiki; Shioiri, Takayuki; Ishida, Toshimasa","Phase-transfer catalyzed asymmetric Darzens reaction of cyclic α-chloro ketones","Chemical Communications","1999","","1","49","","10.1039/a808321e","","","1.5418","CuKα","","0.0635","0.0523","","","","0.2113","","","","","","0.933","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110403","13.606","0.01","9.042","0.005","11.073","0.01","90","","103.38","0.02","90","","1325.3","1.7","150","2","150","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","2-(8-dimethylamino)naphth-1-yl)ethene-1,1-dinitrile","","- C16 H13 N3 -","- C16 H13 N3 -","- C64 H52 N12 -","4","1","","Bell, Paul C.; Wallis, John D.","Addition of nucleophiles to electron-deficient alkenes: structural studies on the incipient reaction and the zwitterionic intermediate","Chemical Communications","1999","","3","257","","10.1039/a808488b","","","0.71069","MoKa","","0.0679","0.0502","","0.128","0.1144","","","","1.068","1.124","1.124","","","","","has coordinates","180218","2020-10-21","18:00:00",""
"7110500","18.7886","0.0004","7.41628","0.00019","19.364","0.0003","90","","116.209","0.0016","90","","2420.8","0.09","208","2","208","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(2S,4S,4aS,5S)-2-[(4-methoxybenzyl)oxy]-4,5-diphenylperhydroazeto- [1,2-b][1,2]oxazin-6-one","","- C29 H31 N O4 -","- C29 H31 N O4 -","- C116 H124 N4 O16 -","4","1","","Kuster, George J.; Kalmoua, Faysal; Scheeren, Hans W.; de Gelder, Rene","A simple entry towards novel bi- and tricyclic N-oxy-β-lactams by high pressure promoted tandem [4 + 2]/[3 + 2] cycloadditions of enol ethers and β-nitrostyrene","Chemical Communications","1999","","9","855","","10.1039/a901505a","","","1.54184","CuKα","","0.0532","0.0473","","0.1367","0.1313","0.1367","","","1.055","","","1.055","","","","has coordinates","180219","2020-10-21","18:00:00",""
"7110592","13.686","0.001","4.231","0.001","14.108","0.002","90","","117.924","0.003","90","","721.8","0.2","296.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C7 H10 O3 -","- C7 H10 O3 -","- C28 H40 O12 -","4","1","","Mori, Takashi; Oku, Akira","Catalysis of chlorosilane on the ring-expansion of cyclic acetals bearing a carbene precursor. Lewis acid‒base effect on the oxonium ylide intermediate","Chemical Communications","1999","","14","1339","","10.1039/a903928g","","","0.7107","MoKα","","","0.0341","","","","0.0463","","","","","","1.176","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110628","9.321","0.008","15.481","0.005","12.756","0.007","90","","105.06","0.05","90","","1777.5","1.9","293.2","","293.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H16 O5 S4 -","- C15 H16 O5 S4 -","- C60 H64 O20 S16 -","4","1","","Alan Aitken, R.; Hill, Lawrence; Lightfoot, Philip; Wilson, Neil J.","New reactions of cyclic sulfoxides under Pummerer conditions","Chemical Communications","1999","","17","1673","","10.1039/a904882k","","","0.7107","MoKalpha","","","0.0954","","","0.092","","","","","7.302","7.302","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110854","17.07","0.02","9.82","0.01","11.51","0.01","90","","94.03","0.04","90","","1925","3","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C19 H17 Cl N4 O3 V -","- C19 H17 Cl N4 O3 V -","- C76 H68 Cl4 N16 O12 V4 -","4","1","","Tolis, Evangelos J.; Soulti, Kalliopi D.; Kabanos, Themistoklis A.; Raptopoulou, Catherine P.; Terzis, Aris; Deligiannakis, Yiannis","Structural, electron paramagnetic resonance and electron spin echo envelope modulation studies of oxovanadium(iv)‒amidate compounds containing monoanionic axial ligands: effect on the 51V-hyperfine coupling constants","Chemical Communications","2000","","7","601","","10.1039/b000399i","","","0.71073","MoKα","","0.1213","0.0663","","0.1923","0.1453","","","","1.063","1.126","1.126","","","","","has coordinates","180222","2020-10-21","18:00:00",""
"7110979","16.0431","0.0009","9.2753","0.0003","19.5165","0.0011","90","","111.117","","90","","2709.1","0.2","200","0.1","200","0.1","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C17 H31 Cl2 N3 O8 S2 Zn -","- C17 H31 Cl2 N3 O8 S2 Zn -","- C68 H124 Cl8 N12 O32 S8 Zn4 -","4","1","","Berreau, Lisa M.; Allred, Russell A.; Makowska-Grzyska, Magdalena M.; Arif, Atta M.","Synthesis and structure of a nitrogen/sulfur-ligated zinc hydroxide complex","Chemical Communications","2000","","15","1423","","10.1039/b003144p","","","0.71073","MoKα","","0.1002","0.0595","","","0.1403","0.1599","","","","","","1.03","","","","has coordinates,has disorder","180223","2020-10-21","18:00:00",""
"7111058","7.9346","0.0004","14.3035","0.0008","13.3949","0.0007","90","","102.181","0.002","90","","1485.99","0.14","193.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","1","","Houjou, Hirohiko; Lee, Sung-Kil; Hishikawa, Yukio; Nagawa, Yoshinobu; Hiratani, Kazuhisa","Highly selective formation of 2∶2 macrocycles from a novel hydroxybenzaldehyde derivative and diamines","Chemical Communications","2000","","22","2197","","10.1039/b005536k","","","0.7107","MoKα","","","0.04","","","","0.0779","","","","","","3.547","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111131","13.881","0.005","6.362","0.002","18.179","0.008","90","","97.77","0.04","90","","1590.7","1","294.2","","294.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Cheung, Eugene; Kang, Ting; Scheffer, John R.; Trotter, James","Latent chemical behavior revealed in the crystalline state: novel photochemistry of a cis-9-decalyl aryl ketone","Chemical Communications","2000","","23","2309","","10.1039/b007398i","","","0.7107","MoKα","","0.2021","0.0616","","","0.1725","0.2159","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111186","14.9117","0.0012","7.5944","0.0006","14.8779","0.0011","90","","100.353","0.002","90","","1657.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H23 F2 N O4 -","- C15 H23 F2 N O4 -","- C60 H92 F8 N4 O16 -","4","1","","Kariuki, Benson M.; Owton, W. Martin; Percy, Jonathan M.; Pintat, Stéphane; Smith, Clive A.; Spencer, Neil S.; Thomas, Andrew C.; Watson, Martin","Rapid assembly of highly-functionalised difluorinated cyclooctenones via ring-closing metathesis","Chemical Communications","2002","","3","228","","10.1039/b109651f","","","0.71069","MoKα","","0.0984","0.0658","","0.2034","0.1742","","","","1.081","1.139","1.139","","","","","has coordinates","180225","2020-10-21","18:00:00",""
"7111203","9.9968","0.0006","16.8039","0.0014","12.5119","0.0011","90","","104.776","0.002","90","","2032.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H23 F2 O6 P S -","- C17 H23 F2 O6 P S -","- C68 H92 F8 O24 P4 S4 -","4","1","","Butt, Afshan H.; Kariuki, B. M.; Percy, Jonathan M.; Spencer, Neil S.","Towards stable analogues of inositol phosphates: stereoselective syntheses of (α,α-difluoromethyl)phosphonic acid (DFMPA)-containing cyclohexanes","Chemical Communications","2002","","7","682","","10.1039/b200560n","","","0.71069","MoKα","","0.0715","0.0608","","","0.1498","0.1572","","","","","","1.003","","","","has coordinates","180226","2020-10-21","18:00:00",""
"7111473","15.511","0.005","12.878","0.004","16.84","0.005","90","","106.376","0.003","90","","3227.3","1.7","173.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C24 H36 F12 N2 O5 P2 Ru -","- C24 H36 F12 N2 O5 P2 Ru -","- C96 H144 F48 N8 O20 P8 Ru4 -","4","1","","Hayashi, Hideki; Ogo, Seiji; Fukuzumi, Shunichi","Aqueous hydrogenation of carbon dioxide catalysed by water-soluble ruthenium aqua complexes under acidic conditions","Chemical Communications","2004","","23","2714","2715","10.1039/b411633j","","","0.7107","MoKα","","","0.05","","","","0.1475","","","","","","1.012","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7111647","11.5121","0.0001","10.1069","0.0001","12.4276","0.0001","90","","93.638","0.001","90","","1443.06","0.02","120","","120","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H18 Cl N3 -","- C16 H18 Cl N3 -","- C64 H72 Cl4 N12 -","4","1","","Banert, Klaus; Hagedorn, Manfred; Wutke, Jens; Ecorchard, Petra; Schaarschmidt, Dieter; Lang, Heinrich","Elusive ethynyl azides: trapping by 1,3-dipolar cycloaddition and decomposition to cyanocarbenes","Chemical Communications","2010","46","23","4058","","10.1039/c0cc00079e","","","1.54184","CuKα","","0.0356","0.0324","","","0.0863","0.0884","","","","","","1.062","","","","has coordinates","180230","2020-10-21","18:00:00",""
"7111683","8.8608","0.0006","27.2688","0.0016","16.3205","0.0012","90","","95.592","0.002","90","","3924.6","0.5","120","2","120","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C92 H116 O8 -","- C92 H116 O8 -","- C184 H232 O16 -","2","0.5","","Zhang, Liang; Gopee, Hemant; Hughes, David L.; Cammidge, Andrew N.","Antiaromatic twinned triphenylene discotics showing nematic phases and 2-dimensional π-overlap in the solid state","Chemical Communications","2010","46","24","4255","4257","10.1039/c0cc00311e","","","0.71073","MoKα","","0.0996","0.0657","","","0.1278","0.1411","","","","","","1.126","","","","has coordinates,has disorder","180230","2020-10-21","18:00:00",""
"7111861","8.6562","0.0009","19.9373","0.0018","12.6769","0.0015","90","","102.331","0.012","90","","2137.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H10 F3 N O -","- C11 H10 F3 N O -","- C88 H80 F24 N8 O8 -","8","2","","Jian-Yi Luo; Hui-Liang Hua; Zi-Sheng Chen; Zhao-Zhao Zhou; Yan-Fang Yang; Ping-Xin Zhou; Yu-Tao He; Xue-Yuan Liu; Yong-Min Liang","Metal-free cascade radical cyclization of 1,6-enynes with aldehydes","Chem.Commun.","2014","50","","1564","","10.1039/c3cc48339h","","","0.71073","MoKα","","0.2245","0.1012","","","0.2881","0.3854","","","","","","1.029","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7111951","17.4521","0.0004","19.5717","0.0005","20.2714","0.0005","90","","101.544","0.0016","90","","6784","0.3","100","","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C148 H98 N4 Si6 -","- C148 H98 N4 Si6 -","- C296 H196 N8 Si12 -","2","0.5","","Sandeep More; Sunil Choudhary; Alexander Higelin; Ingo Krossing; Manuel Melle-Franco; Aurelio Mateo-Alonso","Twisted pyrene-fused azaacenes","Chem.Commun.","2014","50","","1976","","10.1039/c3cc48742c","","","0.71073","MoKα","","0.0978","0.0647","","","0.1738","0.1897","","","","","","1.086","","","","has coordinates","201208","2020-10-21","18:00:00",""
"7112143","13.6924","0.0011","6.1056","0.0004","22.1509","0.0018","90","","107.958","0.009","90","","1761.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C23 H21 N O2 -","- C23 H21 N O2 -","- C92 H84 N4 O8 -","4","1","","Jiangang Mao; Shuo-Qing Zhang; Bing-Feng Shi; Weiliang Bao","Palladium(0)-catalyzed cyclopropanation of benzyl bromides via C(sp3)-H bond activation","Chem.Commun.","2014","50","","3692","","10.1039/C3CC49231A","","","0.71073","MoKα","","0.0564","0.0407","","","0.0947","0.105","","","","","","1.034","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112724","9.676","0.005","14.4","0.005","14.309","0.005","90","0.005","91.333","0.005","90","0.005","1993.2","1.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H23 N3 O5 -","- C22 H23 N3 O5 -","- C88 H92 N12 O20 -","4","1","","Rajesh, Stephen Michael; Perumal, Subbu; Menéndez, J. Carlos; Yogeeswari, Perumal; Sriram, Dharmarajan","Antimycobacterial activity of spirooxindolo-pyrrolidine, pyrrolizine and pyrrolothiazole hybrids obtained by a three-component regio- and stereoselective 1,3-dipolar cycloaddition","MedChemComm","2011","2","7","626","","10.1039/c0md00239a","","","0.71073","MoKα","","0.082","0.0492","","","0.1258","0.1421","","","","","","1.018","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7113049","7.5434","0.0007","14.7364","0.0017","13.8726","0.0008","90","","99.146","0.008","90","","1522.5","0.2","200","","200","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C19 H13 Br Fe O2 -","- C19 H13 Br Fe O2 -","- C76 H52 Br4 Fe4 O8 -","4","1","","Monserrat, Jean-Philippe; Chabot, Guy G.; Hamon, Louis; Quentin, Lionel; Scherman, Daniel; Jaouen, Gérard; Hillard, Elizabeth A.","Synthesis of cytotoxic ferrocenyl flavones via a ferricenium-mediated 1,6-oxidative cyclization.","Chemical communications (Cambridge, England)","2010","46","28","5145","5147","10.1039/c0cc01290d","","","0.71073","MoKα","","0.0644","0.0365","","0.0622","0.0506","0.0622","","","","","","0.9735","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113063","13.3226","0.0008","11.3815","0.0005","13.9942","0.0008","90","","105.746","0.005","90","","2042.3","0.2","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C9 H6 N O4 Zn -","- C9 H6 N O4 Zn -","- C72 H48 N8 O32 Zn8 -","8","2","","Fujii, Kotaro; Lazuen Garay, Ana; Hill, Janeen; Sbircea, Elena; Pan, Zhigang; Xu, Mingcan; Apperley, David C.; James, Stuart L.; Harris, Kenneth D. M.","Direct structure elucidation by powder X-ray diffraction of a metal-organic framework material prepared by solvent-free grinding.","Chemical communications (Cambridge, England)","2010","46","40","7572","7574","10.1039/c0cc02635b","powder diffraction","x-ray","1.5406","","","","","","","","","0.23574","","1.91","","","","","","","has coordinates","180244","2020-10-21","18:00:00",""
"7113086","9.064","0.003","14.5","0.003","12.384","0.003","90","","99.57","0.01","90","","1605","0.7","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","avs-0288","","","- C16 H10 Cl F3 N4 O2 -","- C16 H10 Cl F3 N4 O2 -","- C64 H40 Cl4 F12 N16 O8 -","4","1","","Shin, Dae-Seop; Masciocchi, Daniela; Gelain, Arianna; Villa, Stefania; Barlocco, Daniela; Meneghetti, Fiorella; Pedretti, Alessandro; Han, Young-Min; Han, Dong Cho; Kwon, Byoung-Mog; Legnani, Laura; Toma, Lucio","Synthesis, modeling, and crystallographic study of 3,4-disubstituted-1,2,5-oxadiazoles and evaluation of their ability to decrease STAT3 activity","MedChemComm","2010","1","2","156","","10.1039/c0md00057d","","","0.71073","MoKα","","0.1771","0.0493","","","0.123","","","","","","","0.972","","","","has coordinates","180244","2020-10-21","18:00:00",""
"7113374","16.4727","0.0016","17.1842","0.0017","20.571","0.002","90","","112.879","0.002","90","","5364.9","0.9","233","2","233","2","","","","","","","synthesis","8","P 1 21/a 1","-P 2yab","14","","","","- C54 H44 Cl F10 N2 P2 Ru Sb -","- C54 H44 Cl F10 N2 P2 Ru Sb -","- C216 H176 Cl4 F40 N8 P8 Ru4 Sb4 -","4","1","","Cadierno, Victorio; Díez, Josefina; García-Alvarez, Joaquín; Gimeno, José","A new class of tethered-arene ruthenium(II) complexes with pendant P and C donor atoms: synthesis of eta6:eta1:eta1 phosphonio-azabutadienyl ruthenabicycles via allenylidene intermediates.","Chemical communications (Cambridge, England)","2004","","16","1820","1821","10.1039/b404971c","","","0.71073","MoKα","","0.1988","0.0728","","","0.1733","0.2328","","","","","","1.014","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113989","16.5227","0.0002","6.2178","0.00008","5.24317","0.00006","90","","90.9998","0.002","90","","538.574","0.011","273","","273","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- H7 N2 O4 P Zn -","- H7 N2 O4 P Zn -","- H28 N8 O16 P4 Zn4 -","4","1","","Zakariae Amghouz; Beatriz Ramajo; Sergei A. Khainakov; Ivan da Silva; German R. Castro; Jose R. Garcia; Santiago Garcia-Granda","Dimensionality changes in the solid phase at room temperature: 2D > 1D > 3D evolution induced by ammonia sorption-desorption on zinc phosphates","Chem.Commun.","2014","50","","6729","","10.1039/C4CC01314J","powder diffraction","","0.824","Synchrotron","","","","","","","","","3.4842","","","","","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7114020","9.502","0.002","22.567","0.004","11.189","0.003","90","","95.29","0.02","90","","2389.1","0.9","300","2","300","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C22 H52 Cl Cu3 N23 O6 Ru2 -","- C22 H48 Cl Cu3 N23 O6 Ru2 -","- C44 H96 Cl2 Cu6 N46 O12 Ru4 -","2","0.5","","Sun, Xian-Ru; Liang, Jiang-Lin; Che, Chi-Ming; Zhu, Nianyong; Zhang, X. X.; Gao, Song","1-D polymer containing the [Ru???N???Ru] ??-nitrido moiety: crystal structure and magnetic properties of {[Cu(en)2]3[Ru2N(CN)10]??ClO4}n (en = 1,2-diaminoethane)Electronic supplementary information (ESI) available: field dependence of magnetisation for cluster 1 and polymer 2. See http://www.rsc.org/suppdata/cc/b2/b205534c/","Chemical Communications","2002","","18","2090","","10.1039/b205534c","","","0.71073","MoKα","","0.0507","0.0446","","","0.1383","0.1484","","","","","","1.139","","","","has coordinates","180254","2020-10-21","18:00:00",""
"7114084","7.649","0.0006","13.7087","0.0017","9.7362","0.0013","90","","106.118","0.002","90","","980.79","0.19","173","2","173","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,6-Dihydroxynaphthalene-Benzylamine 1:2 Complex","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C48 H52 N4 O4 -","2","0.5","","Suzuki, Masato; Yatsugi, Yutaka","Novel solid-state polycondensation I. Oxidative-coupling polymerization of 2,6-dihydroxynaphthaleneElectric supplementary information (ESI) available: experimental procedures, 1H, 13C NMR and IR spectra of the acetylated polymer, crystal data of 2,6-DHN‒benzylamine complex, and 3D graphics of the polymer models and of the crystal cells (2,6-DHN and its benzylamine complex). See http://www.rsc.org/suppdata/cc/b1/b107738d/","Chemical Communications","2002","","2","162","","10.1039/b107738d","","","0.71069","MoKα","","0.0592","0.0499","","","0.1195","0.1254","","","","","","1.074","","","","has coordinates","180254","2020-10-21","18:00:00",""
"7114134","18.402","0.004","24.291","0.005","21.414","0.004","90","","112.48","0.03","90","","8845","4","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C150 H36 N2 O6 S6 W -","- C150 H24 N2 O6 S6 W -","- C600 H96 N8 O24 S24 W4 -","4","1","","Jin, Xianglin; Xie, Xiangjin; Tang, Kaluo","Syntheses and X-ray crystal structures of dumbbell-shaped bis-fullerene tungsten and molybdenum complexes","Chemical Communications","2002","","7","750","","10.1039/b200793b","","","0.71073","MoKα","","0.2629","0.085","","","0.1443","0.1877","","","","","","0.761","","","","has coordinates","180255","2020-10-21","18:00:00",""
"7114135","18.598","0.004","24.55","0.005","21.429","0.004","90","","112.36","0.03","90","","9048","4","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C151 H38 Mo N2 O7 S8 -","- C151 H17 Mo N2 O7 S8 -","- C604 H68 Mo4 N8 O28 S32 -","4","1","","Jin, Xianglin; Xie, Xiangjin; Tang, Kaluo","Syntheses and X-ray crystal structures of dumbbell-shaped bis-fullerene tungsten and molybdenum complexes","Chemical Communications","2002","","7","750","","10.1039/b200793b","","","0.71073","MoKα","","0.1547","0.0983","","","0.2705","0.3048","","","","","","0.992","","","","has coordinates","180255","2020-10-21","18:00:00",""
"7114225","11.62","0.003","16.597","0.008","20.762","0.006","90","","105.67","0.02","90","","3855","2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C40 H35 Ag2 Fe2 N6 O7.5 -","- C40 H32 Ag2 Fe2 N6 O7.5 -","- C160 H128 Ag8 Fe8 N24 O30 -","4","1","","Braga, Dario; Polito, Marco; Bracaccini, Marco; D'Addario, Daniela; Tagliavini, Emilio; Proserpio, Davide M.; Grepioni, Fabrizia","Novel hetero-bimetallic metalla-macrocycles based on the bis-1-pyridyl ferrocene [Fe(η5-C5H4-1-C5H4N)2] ligand. Design, synthesis and structural characterization of the complexes [Fe(η5-C5H4-1-C5H4N)2](Agi)22+/(Cuii)24+/(Znii)24+","Chemical Communications","2002","","10","1080","","10.1039/b200344a","","","0.71073","MoKα","","0.1424","0.0504","","","0.1074","0.1635","","","","","","0.945","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114247","10.42","0.004","24.167","0.005","10.622","0.004","90","","106.52","0.03","90","","2564.4","1.5","298.2","","298.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C32 H22 S4 -","- C32 H22 S4 -","- C128 H88 S16 -","4","1","","Nakanishi, Warô; Hayashi, Satoko; Arai, Takamitsu","Linear alignment of four sulfur atoms in bis[(8-phenylthio)naphthyl] disulfide: contribution of linear S4 hypervalent four-centre six-electron bond to the structure","Chemical Communications","2002","","20","2416","2417","10.1039/b206137f","","","0.7107","MoKα","","","0.0556","","","0.0853","","","","","1.156","1.156","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114492","7.373","0.002","16.563","0.003","10.046","0.002","90","","94.66","0.02","90","","1222.8","0.5","294.2","","294.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 O S Se Te -","- C10 H12 O S Se Te -","- C40 H48 O4 S4 Se4 Te4 -","4","1","","Ogawa, Satoshi; Yoshimura, Satoko; Nagahora, Noriyoshi; Kawai, Yasushi; Mikata, Yuji; Sato, Ryu","Novel multi-chalcogen ring systems with three different chalcogen atoms: synthesis, structure and redox property of five-membered trichalcogenaheterocyclesElectronic supplementary information (ESI) available: satisfactory characterizing data for all the new compounds. Typical experimental procedure, physical and spectroscopic data of all the new compounds and ORTEP view of 2d. See http://www.rsc.org/suppdata/cc/b2/b205445k/","Chemical Communications","2002","","17","1918","","10.1039/b205445k","","","0.7107","MoKα","","","0.0206","","","0.037","","","","","0.936","0.936","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114493","7.389","0.003","16.581","0.003","10.165","0.003","90","","93.14","0.03","90","","1243.5","0.7","296.2","","296.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 O Se2 Te -","- C10 H12 O Se2 Te -","- C40 H48 O4 Se8 Te4 -","4","1","","Ogawa, Satoshi; Yoshimura, Satoko; Nagahora, Noriyoshi; Kawai, Yasushi; Mikata, Yuji; Sato, Ryu","Novel multi-chalcogen ring systems with three different chalcogen atoms: synthesis, structure and redox property of five-membered trichalcogenaheterocyclesElectronic supplementary information (ESI) available: satisfactory characterizing data for all the new compounds. Typical experimental procedure, physical and spectroscopic data of all the new compounds and ORTEP view of 2d. See http://www.rsc.org/suppdata/cc/b2/b205445k/","Chemical Communications","2002","","17","1918","","10.1039/b205445k","","","0.7107","MoKα","","","0.03304","","","0.03929","","","","","1.874","1.874","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114687","14.7338","0.0002","14.1571","0.0003","22.7377","0.0004","90","","107.784","0.001","90","","4516.17","0.14","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H27 B8 P -","- C20 H27 B8 P -","- C160 H216 B64 P8 -","8","2","","Jelínek, Tomáš; Kilner, Colin A.; Thornton-Pett, Mark; Kennedy, John D.; Štíbr, Bohumil; Schanz, Hans-Jörg; Wrackmeyer, Bernd; Holub, Josef; Bakardjiev, Mario; Hnyk, Drahomír; Ormsby, Daniel L.","Monocarbaborane chemistry. Preparation and characterisation of [4-CB8H9]‒, the ‘missing’ closo-carbaborane anion","Chemical Communications","2001","","18","1756","","10.1039/b103408c","","","0.71073","MoKα","","0.0752","0.0549","","","0.1332","0.1491","","","","","","1.028","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114824","12.452","0.007","38.72","0.01","7.731","0.004","90","","91.17","0.04","90","","3727","3","295","","295","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H24 Cl4 Fe S16 -","- C24 H24 Cl4 Fe S16 -","- C96 H96 Cl16 Fe4 S64 -","4","1","","Yamada, Jun-ichi; Toita, Takashi; Akutsu, Hiroki; Nakatsuji, Shin’ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi","The crystal structure and physical properties of β-(BDA-TTP)2FeCl4 [BDA-TTP = 2,5-bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene]","Chemical Communications","2001","","24","2538","","10.1039/b105264k","","","0.7107","MoK?a","","","0.048","","","","0.036","","","2.289","","","2.29","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115021","12.524","0.002","11.088","0.003","12.935","0.002","90","","99.75","0.02","90","","1770.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H17 N3 O2 S -","- C20 H17 N3 O2 S -","- C80 H68 N12 O8 S4 -","4","1","","Butler, Richard N.; Smyth, Georgina M.; Cloonan (in part), Martin O.; McArdle, Patrick; Cunningham, Desmond","A new tricyclic ring and a nitrogen‒sulfur analogue of the tri-pentagon bowl. Substituted 5,6,7,7a-tetrahydropyrrolo[2,1-b]-1,3,4-thiadiazole-endo-6,7-dicarboxyimides","Chemical Communications","2001","","19","1950","","10.1039/b105190n","","","0.71069","MoKα","","0.1254","0.0422","","","0.0859","0.1022","","","","","","0.877","","","","has coordinates","180264","2020-10-21","18:00:00",""
"7115030","7.888","0.008","19.486","0.01","14.567","0.007","90","","91.09","0.06","90","","2239","3","293.2","","293.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","anti-[3.3](3,9)carbazolophane","","","- C30 H24 N4 -","- C30 H24 N4 -","- C120 H96 N16 -","4","1","","Tani, Keita; Tohda, Yasuo; Takemura, Hiroyuki; Ohkita, Hideo; Ito, Shinzaburo; Yamamoto, Masahide","Synthesis and photophysical properties of [3.3](3,9)carbazolophanes","Chemical Communications","2001","","19","1914","","10.1039/b104101k","","","0.7107","MoKα","","0.0397","0.0397","","","0.0312","0.0312","","","","","","1.57","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115116","14.822","0.001","7.7784","0.0006","17.655","0.001","90","","107.73","0.002","90","","1938.8","0.2","173.2","","173.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H28 Cr N2 O -","- C20 H28 Cr N2 O -","- C80 H112 Cr4 N8 O4 -","4","1","","Jandciu, Eric W.; Legzdins, Peter; McNeil, W. Stephen; Patrick, Brian O.; Smith, Kevin M.","Cr(NAr)(O)(NPri2)(Ar): a strongly-bent monoimido complex resulting from nitrosyl ligand cleavage","Chemical Communications","2000","","18","1809","","10.1039/b004340k","","","0.7107","MoKα","","0.0884","0.0884","","0.1335","","0.1335","","","1.176","","","1.176","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115132","17.863","0.001","13.7651","0.0008","19.835","0.001","90","","98.235","0.002","90","","4826.9","0.5","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H24 B Bi F4 -","- C24 H24 B Bi F4 -","- C192 H192 B8 Bi8 F32 -","8","2","","Matano, Yoshihiro","First synthesis of alkynyltriphenylbismuthonium salts and their dual reaction modes in sulfonylation","Chemical Communications","2000","","22","2233","","10.1039/b006881k","","","0.7107","MoKα","","","0.0393","","","","0.1078","","","","","","0.845","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7115179","13.7139","0.0002","21.8452","0.0004","22.0843","0.0004","90","","98.321","0.0011","90","","6546.43","0.19","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H40 B17 P S -","- C24 H40 B17 P S -","- C192 H320 B136 P8 S8 -","8","2","","Jelínek, Tomáš; Kilner, Colin A.; Barrett, Simon A.; Thornton-Pett, Mark; Kennedy, John D.","Macropolyhedral boron-containing cluster chemistry. The [SB17H19]− anion: a nido-ten-vertex : arachno-ten-vertex cluster architecture and the first single-sulfur macropolyhedral thiaborane","Chemical Communications","1999","","18","1905","","10.1039/a905473a","","","0.71073","MoKα","","0.0809","0.0594","","","0.1411","0.1557","","","","","","1.031","","","","has coordinates","180265","2020-10-21","18:00:00",""
"7115563","18.9903","0.0005","12.146","0.0003","26.2415","0.0006","90","","108.147","0.0007","90","","5751.7","0.2","296","2","296","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C27 H31 Br2 N O4 S Si -","- C27 H31 Br2 N O4 S Si -","- C216 H248 Br16 N8 O32 S8 Si8 -","8","2","","Tomoya Miura; Takayuki Nakamuro; Kentaro Hiraga; Masahiro Murakami","The stereoselective synthesis of alpha-amino aldols starting from terminal alkynes","Chem.Commun.","2014","50","","10474","","10.1039/C4cc04786A","","","0.71075","MoKα","","0.0875","0.0552","","","0.132","0.186","","","","","","1.162","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7116974","13.3707","0.0002","18.8446","0.0003","16.9728","0.0003","90","","107.545","0.0016","90","","4077.62","0.12","120","","120","","","","101","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C43 H54 O5 S2 -","- C43 H54 O5 S2 -","- C172 H216 O20 S8 -","4","1","","Michal Hucko; Hana Dvorakova; Vaclav Eigner; Pavel Lhotak","2,14-Dithiacalix[4]arene and its homooxa analogues: synthesis and dynamic NMR study of conformational behaviour","Chem.Commun.","2015","51","","7051","","10.1039/C5cc00819K","","","1.5418","CuKα","","0.058","0.0475","","0.0979","0.0882","0.0979","","","","","","0.9644","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7117085","14.1331","0.0003","7.8144","0.0001","18.4958","0.0003","90","","102.186","0.001","90","","1996.68","0.06","93","2","93","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1,2-bis(indol-2-yl)benzene diethylsilyl complex","","- C26 H24 N2 Si -","- C26 H24 N2 Si -","- C104 H96 N8 Si4 -","4","1","","Takayuki Tanaka; Atsuhiro Osuka","Tetracoordinate silicon complexes of 1,2-bis(indol-2-yl)benzene as blue-emitting dyes in the solid state","Chem.Commun.","2015","51","","8123","","10.1039/C5cc01625H","","","1.54187","CuKα","","0.0592","0.0461","","","0.1035","0.1126","","","","","","1.073","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117197","21.2958","0.0006","21.33","0.0006","21.9581","0.0006","90","","105.868","0.0013","90","","9594.2","0.5","100","2","100","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C90 H106 Cl4 N10 O92.75 V16 -","- C90 H106 Cl4 N10 O92.75 V16 -","- C180 H212 Cl8 N20 O185.5 V32 -","2","0.5","","Zhuxiu Zhang; Wen-Yang Gao; Lukasz Wojtas; Zhenjie Zhang; Michael J. Zaworotko","A new family of anionic organic-inorganic hybrid doughnut-like nanostructures","Chem.Commun.","2015","51","","9223","","10.1039/C5cc02719E","","","1.54178","CuKα","","0.1453","0.0885","","","0.2376","0.2886","","","","","","1.023","","","","has coordinates,has disorder","137156","2020-10-21","18:00:00",""
"7117434","10.2578","","4.7063","","5.6017","","90","","96.467","","90","","268.708","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Li (Sb3 O8)","","- Li O8 Sb3 -","- Li O8 Sb3 -","- Li2 O16 Sb6 -","2","0.5","","Lopes, M.E.; Kirk, C.A.; Blake, S.M.; Marr, J.; West, A.R.","Li Sb3 O8: the first tetrarutile structure","Chemical Communications","2000","2000","","1951","1952","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117580","13.372","0.002","6.2221","0.0009","13.8278","0.0019","90","","112.232","0.011","90","","1065","0.3","293","2","293","","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","(MQ)BF4","N-methylquinoxalinium tetrafluoroborate","","- C9 H9 B F4 N2 -","- C9 H9 B F4 N2 -","- C36 H36 B4 F16 N8 -","4","1","","Leblanc, Nicolas; Sproules, Stephen; Pasquier, Claude; Auban-Senzier, Pascale; Raffy, Helene; Powell, Annie K.","Approaching the limit of Cu(II)/Cu(I) mixed valency in a Cu(I)Br2-N-methylquinoxalinium hybrid compound.","Chemical communications (Cambridge, England)","2015","51","64","12740","12743","10.1039/c5cc04142b","","","0.71073","MoKα","","0.1415","0.0362","","","0.0764","0.0992","","","","","","0.716","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118069","8.404","0.0003","13.1184","0.0004","23.6","0.0007","90","","90","","90","","2601.83","0.14","140","2","140","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C32 H31 Au N2 -","- C32 H31 Au N2 -","- C128 H124 Au4 N8 -","4","1","","Julio Fernandez-Cestau; Benoit Bertrand; Maria Blaya; Garth A. Jones; Thomas J. Penfold; Manfred Bochmann","Synthesis and luminescence modulation of pyrazine-based gold(III) pincer complexes","Chem.Commun.","2015","51","","16629","","10.1039/C5cc07523H","","x-ray","0.7107","MoKα","","0.0481","0.0424","","","0.0974","0.0999","","","","","","1.263","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118148","9.516","0.003","16.738","0.005","12.25","0.003","90","","107.8","0.008","90","","1857.8","0.9","93","2","93","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C21 H21 N5 O3 -","- C21 H21 N5 O3 -","- C84 H84 N20 O12 -","4","1","","Maeda, Hiromitsu; Fukui, Ayaka; Yamakado, Ryohei; Yasuda, Nobuhiro","Dipyrrolyphenol as a precursor of π-electronic anion that forms ion pairs with cations.","Chemical communications (Cambridge, England)","2015","51","99","17572","17575","10.1039/c5cc07493b","","","1.54187","CuKα","","0.0375","0.0329","","","0.0929","0.0946","","","","","","1.071","","","","has coordinates","170857","2020-10-21","18:00:00",""
"7118614","15.4739","0.0002","57.1814","0.0006","24.7469","0.0003","90","","94.602","0.001","90","","21825.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C168 H118 N10 O31 Zn8 -","- C168 H118 N10 O31 Zn8 -","- C672 H472 N40 O124 Zn32 -","4","1","","Bag, Partha Pratim; Wang, Dong; Chen, Zhuo; Cao, Rong","Outstanding drug loading capacity by water stable microporous MOF: a potential drug carrier.","Chemical communications (Cambridge, England)","2016","52","18","3669","3672","10.1039/c5cc09925k","","","1.54184","CuKα","","0.1302","0.1114","","","0.2154","0.2419","","","","","","1.364","","","","has coordinates","177645","2020-10-21","18:00:00",""
"7118755","7.4885","0.0002","10.5846","0.0003","17.5033","0.0004","90","","98.615","0.002","90","","1371.71","0.06","100.1","0.1","100.1","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H15 Cl N4 O2 -","- C13 H15 Cl N4 O2 -","- C52 H60 Cl4 N16 O8 -","4","1","","Sashuk, Volodymyr; Butkiewicz, Helena; Fiałkowski, Marcin; Danylyuk, Oksana","Triggering autocatalytic reaction by host-guest interactions.","Chemical communications (Cambridge, England)","2016","52","22","4191","4194","10.1039/c5cc10063a","","","0.71073","MoKα","","0.0315","0.0287","","","0.079","0.0806","","","","","","1.063","","","","has coordinates","201913","2020-10-21","18:00:00",""
"7119000","7.0843","0.0001","25.1223","0.0002","8.2327","0.0001","90","","103.844","0.0004","90","","1422.65","0.03","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C37 H33 N5 Ni -","- C37 H33 N5 Ni -","- C74 H66 N10 Ni2 -","2","0.5","","Ryo Nozawa; Keitaro Yamamoto; Ichiro Hisaki; Ji-Young Shin; Hiroshi Shinokubo","Ni^II^ tetrahydronorcorroles: antiaromatic porphyrinoids with saturated pyrrole units","Chem.Commun.","2016","52","","7106","","","","","0.8","synchrotron","","0.059","0.0589","","","0.1381","0.1381","","","","","","1.146","","","","has coordinates,has disorder","183182","2020-10-21","18:00:00",""
"7119501","19.9364","0.0018","11.5274","0.001","22.498","0.002","90","","104.908","0.0013","90","","4996.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C83 H29 Cl2 N2.36 O4.5 -","- C83 H29 Cl2 N2.36 O4.5 -","- C332 H116 Cl8 N9.44 O18 -","4","1","","Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Unprecedented photochemical rearrangement of an open-cage C60 derivative.","Chemical communications (Cambridge, England)","2017","53","10","1712","1714","10.1039/c6cc10103h","","","0.71073","MoKα","","0.1018","0.0725","","","0.1712","0.1886","","","","","","1.148","","","","has coordinates,has disorder","191460","2020-10-21","18:00:00",""
"7119807","11.9987","0.0032","26.1502","0.006","18.4103","0.0044","90","","92.8746","0.0098","90","","5769","2","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C44 H26 Dy F9 N2 O6 S10 -","- C44 H26 Dy F9 N2 O6 S10 -","- C176 H104 Dy4 F36 N8 O24 S40 -","4","1","","Kishi, Y.; Pointillart, F.; Lefeuvre, B.; Riobé, F; Le Guennic, B.; Golhen, S.; Cador, O.; Maury, O.; Fujiwara, H.; Ouahab, L.","Isotopically enriched polymorphs of dysprosium single molecule magnets.","Chemical communications (Cambridge, England)","2017","53","25","3575","3578","10.1039/c7cc00317j","","","0.71073","MoKα","","0.2286","0.099","","","0.2523","0.3048","","","","","","0.82","","","","has coordinates,has disorder","194971","2020-10-21","18:00:00",""
"7119808","11.819","0.009","26.13","0.02","18.549","0.017","90","","93.28","0.03","90","","5719","8","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C44 H26 F9 N2 O6 S10 Y -","- C44 H26 F9 N2 O6 S10 Y -","- C176 H104 F36 N8 O24 S40 Y4 -","4","1","","Kishi, Y.; Pointillart, F.; Lefeuvre, B.; Riobé, F; Le Guennic, B.; Golhen, S.; Cador, O.; Maury, O.; Fujiwara, H.; Ouahab, L.","Isotopically enriched polymorphs of dysprosium single molecule magnets.","Chemical communications (Cambridge, England)","2017","53","25","3575","3578","10.1039/c7cc00317j","","","0.71073","MoKα","","0.229","0.0938","","","0.2395","0.2802","","","","","","0.862","","","","has coordinates,has disorder","194971","2020-10-21","18:00:00",""
"7119858","8.153","0.0019","17.336","0.003","17.063","0.005","90","","103.317","0.001","90","","2346.8","1","93","2","93","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C27 H25 B F2 N2 O2 -","- C27 H25 B F2 N2 O2 -","- C108 H100 B4 F8 N8 O8 -","4","1","","Lakshmi, Vellanki; Haketa, Yohei; Yamakado, Ryohei; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dimension-controlled assemblies of anion-responsive π-electronic systems bearing aryl substituents with fan-shaped geometries.","Chemical communications (Cambridge, England)","2017","53","27","3834","3837","10.1039/c7cc01551h","","","1.54187","CuKα","","0.0345","0.0307","","","0.0815","0.0838","","","","","","1.038","","","","has coordinates","194950","2020-10-21","18:00:00",""
"7120226","17.1568","0.0003","31.6078","0.0006","19.9304","0.0004","90","","96.761","0.001","90","","10732.9","0.4","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","(3-oxo-1-phenylbutyl)triphenylphosphoniumtrifluoromethanesulfonate","","- C29 H26 F3 O4 P S -","- C29 H26 F3 O4 P S -","- C464 H416 F48 O64 P16 S16 -","16","4","","Morita, Kenta; Ohta, Reiya; Aoyama, Hiroshi; Yahata, Kenzo; Arisawa, Mitsuhiro; Fujioka, Hiromichi","Concise synthesis of oxacyclic compounds using highly discriminative two-way transformations of α,β-unsaturated esters in the presence of enones","Chem. Commun.","2017","","","","","10.1039/C7CC03287K","","x-ray","1.54178","CuKα","","0.0911","0.0672","","","0.2098","0.2349","","","","","","0.847","","","","has coordinates","296814","2024-12-10","08:46:17",""
"7120395","14.8841","0.0007","14.9687","0.0007","21.4518","0.001","90","","102.663","0.007","90","","4663.1","0.4","93","2","93","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C47 H30 Ag2 Cl2 F6 N4 O6 S2 -","- C47 H30 Ag2 Cl2 F6 N4 O6 S2 -","- C188 H120 Ag8 Cl8 F24 N16 O24 S8 -","4","1","","Gon, Masayuki; Morisaki, Yasuhiro; Chujo, Yoshiki","A silver(i)-induced higher-ordered structure based on planar chiral tetrasubstituted [2.2]paracyclophane","Chem. Commun.","2017","","","","","10.1039/C7CC03615A","","","0.71075","MoKα","","0.1674","0.0889","","","0.1291","0.1516","","","","","","1.065","","","","has coordinates","198558","2020-10-21","18:00:00",""
"7120439","19.972","0.003","35.165","0.004","21.803","0.003","90","","103.419","0.0011","90","","14895","3","123","","123","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","[LFe2(O2)(MeOH)(Ph3CCO2)](Ph4B)2(CH2Cl2)9.5(MeOH)3.3(MeCN)3.4","1-O2-MeOH","","- C135.6 H150.4 B2 Cl19 Fe2 N13.4 O9.3 -","- C135.599 H150.398 B2 Cl18.998 Fe2 N13.4 O9.3 -","- C542.396 H601.592 B8 Cl75.992 Fe8 N53.6 O37.2 -","4","1","","Sekino, Mio; Furutachi, Hideki; Tojo, Rina; Hishi, Ayumi; Kajikawa, Hanako; Suzuki, Takatoshi; Suzuki, Kaito; Fujinami, Shuhei; Akine, Shigehisa; Sakata, Yoko; Ohta, Takehiro; Hayami, Shinya; Suzuki, Masatatsu","New mechanistic insight into intramolecular aromatic ligand hydroxylation and benzyl alcohol oxidation initiated by well-defined (μ-peroxo)diiron(III) complex","Chem. Commun.","2017","","","","","10.1039/C7CC04382A","","","0.71073","MoKα","","0.189","0.178","","","0.4028","0.4096","","","","","","1.307","","","","has coordinates,has disorder","198700","2020-10-21","18:00:00",""
"7120547","16.902","0.003","26.87","0.005","21.474","0.004","90","","92.102","0.007","90","","9746","3","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Cage+C60","Cage+C60","","- C126 H65 Cl2 N3 O6 S18 -","- C126 H65 Cl2 N3 O6 S18 -","- C504 H260 Cl8 N12 O24 S72 -","4","1","","Bähring, Steffen; Larsen, Karina Risom; Supur, Mustafa; Nielsen, Kent A.; Poulsen, Thomas; Ohkubo, Kei; Marlatt, Craig W.; Miyazaki, Eigo; Takimiya, Kazuo; Flood, Amar H.; Fukuzumi, Shunichi; Jeppesen, Jan Oskar Oskar","Ionic manipulation of the charge-transfer characteristics and photo-dynamics in a complex of an electronically-tuned monopyrrolo-tetrathiafulvalene cage confining [60]fullerene","Chem. Commun.","2017","","","","","10.1039/C7CC03775A","","","0.71075","MoKα","","0.1476","0.0938","","","0.2366","0.2605","","","","","","1.441","","","","has coordinates,has disorder","199752","2020-10-21","18:00:00",""
"7121519","13.356","0.003","10.8079","0.0018","18.731","0.004","90","","102.739","0.003","90","","2637.3","0.9","93","2","93","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H48 B2 N2 -","- C28 H48 B2 N2 -","- C112 H192 B8 N8 -","4","1","","Kitamura, Ryo; Suzuki, Katsunori; Yamashita, Makoto","Dimerization of boryl- and amino-substituted acetylenes by B<sub>2</sub>C<sub>2</sub> four-membered ring formation.","Chemical communications (Cambridge, England)","2018","54","46","5819","5822","10.1039/c8cc02122h","","","0.71075","MoKα","","0.0974","0.0682","","","0.1543","0.1758","","","","","","1.049","","","","has coordinates","228295","2020-10-21","18:00:00",""
"7123545","14.4218","0.0011","10.7034","0.0008","15.0974","0.0011","90","","118.257","0.0013","90","","2052.8","0.3","293","","293","","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H19 N3 O8 S -","- C20 H19 N3 O8 S -","- C80 H76 N12 O32 S4 -","4","1","","Pasturaud, Karine; Rkein, Batoul; Sanselme, Morgane; Sebban, Muriel; Lakhdar, Sami; Durandetti, Muriel; LEGROS, Julien; Chataigner, Isabelle","Facile dearomatization of nitroaromatic compounds using lithium enolates of unsaturated ketones in conjugate additions and (4+2) formal cycloadditions","Chemical Communications","2019","","","","","10.1039/C9CC02924A","","x-ray","0.71073","MoKα","","0.0649","0.0489","","","0.1286","0.1411","","","","","","1.021","","","","has coordinates","215503","2020-10-21","18:00:00",""
"7123546","10.7343","0.0011","12.8521","0.0013","15.5222","0.0015","90","","95.998","0.002","90","","2129.7","0.4","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H19 Br N2 O6 S -","- C20 H19 Br N2 O6 S -","- C80 H76 Br4 N8 O24 S4 -","4","1","","Pasturaud, Karine; Rkein, Batoul; Sanselme, Morgane; Sebban, Muriel; Lakhdar, Sami; Durandetti, Muriel; LEGROS, Julien; Chataigner, Isabelle","Facile dearomatization of nitroaromatic compounds using lithium enolates of unsaturated ketones in conjugate additions and (4+2) formal cycloadditions","Chemical Communications","2019","","","","","10.1039/C9CC02924A","","x-ray","0.71073","MoKα","","0.1325","0.0685","","","0.1662","0.1998","","","","","","1.036","","","","has coordinates","215503","2020-10-21","18:00:00",""
"7123718","6.9997","0.0002","25.3248","0.0007","10.7346","0.0003","90","","94.777","0.003","90","","1896.27","0.09","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H20 B10 O2 -","- C16 H20 B10 O2 -","- C64 H80 B40 O8 -","4","1","","Vinas, Clara; Kelemen, Zsolt; Pepiol, Ariadna; Lupu, Marius; Sillanpää, Reijo; Hänninen, Mikko; Teixidor, Francesc","Icosahedral carboranes as scaffolds for congested regioselective polyaryl compounds. The distinct distance tuning of C-C and its antipodal B-B.","Chemical Communications","2019","","","","","10.1039/C9CC04526K","","","0.7107","MoKα","","0.0642","0.0521","","","0.1306","0.1383","","","","","","1.054","","","","has coordinates","216535","2020-10-21","18:00:00",""
"7123838","20.704","0.002","9.6416","0.0008","20.416","0.002","90","","111.978","0.002","90","","3779.3","0.6","123","","123","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","compound 1","","- C56 H38 -","- C56 H38 -","- C224 H152 -","4","1","","Chaolumen, Chaolumen; Ito, Hideto; Itami, Kenichiro","An Axially Chiral 1,1′-Biazulene and Its π-Extended Derivative: Synthesis, Structures and Properties","Chemical Communications","2019","","","","","10.1039/C9CC03510A","","","0.71075","MoKα","","0.0377","0.0322","","","0.0792","0.0825","","","","","","1.049","","","","has coordinates","216983","2020-10-21","18:00:00",""
"7124657","14.9097","0.0004","6.6345","0.0002","16.6553","0.0004","90","","92.822","0.002","90","","1645.52","0.08","290","2","290","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C21 H19 B O2 -","- C21 H19 B O2 -","- C84 H76 B4 O8 -","4","1","","Wang, Taisheng; Zhang, Na; Zhang, Ke; Dai, Jingwen; Bai, Wei; Bai, Ruke","Pyrene boronic acid cyclic ester: a new fast self-recovering mechanoluminescent material at room temperature.","Chemical communications (Cambridge, England)","2016","52","62","9679","9682","10.1039/c6cc03248f","","","1.54184","CuKα","","0.052","0.0457","","","0.1299","0.1389","","","","","","1.048","","","","has coordinates","234081","2020-10-21","18:00:00",""
"7125362","13.051","0.014","18.73","0.02","19.67","0.02","90","","90.889","0.01","90","","4808","9","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C92 H90 N8 O16 -","- C92 H90 N8 O16 -","- C184 H180 N16 O32 -","2","0.5","","Kawano, Shin-Ichiro; Kawada, Sae; Kitagawa, Yasutaka; Teramoto, Rena; Nakano, Masayoshi; Tanaka, Kentaro","Near-infrared absorption by intramolecular charge-transfer transition in 5,10,15,20-tetra(N-carbazolyl)porphyrin through protonation.","Chemical communications (Cambridge, England)","2019","55","20","2992","2995","10.1039/c8cc09667h","","","0.71075","MoKα","","0.096","0.0789","","","0.2119","0.227","","","","","","1.089","","","","has coordinates,has disorder","236784","2020-10-21","18:00:00",""
"7125537","16.123","0.0003","8.683","0.0001","16.789","0.0003","90","","118.319","0.0007","90","","2069.1","0.06","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C24 H32 N4 -","- C24 H32 N4 -","- C96 H128 N16 -","4","1","","Tripier, Raphaël; Lagrange, Jean-Marie; Espinosa, Enrique; Denat, Franck; Guilard, Roger","From new tricyclic bisaminal derivatives to trans-N,N′-disubstituted cyclams","Chemical Communications","2001","","24","2728","","10.1039/b109199a","","","0.7107","MoKα","","0.0774","0.0499","","","0.1184","0.1343","","","","","","1.07","","","","has coordinates","243997","2020-10-21","18:00:00",""
"7125583","15.83","0.0003","16.8625","0.0003","17.9095","0.0004","90","","91.237","0.001","90","","4779.53","0.16","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C48 H64 Mg N8 Na2 -","- C48 H64 Mg N8 Na2 -","- C192 H256 Mg4 N32 Na8 -","4","1","","Conway, Ben; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.","Structurally-defined direct C-magnesiation and C-zincation of N-heterocyclic aromatic compounds using alkali-metal-mediated metallation.","Chemical communications (Cambridge, England)","2007","","27","2864","2866","10.1039/b704362g","","","0.71073","MoKα","","0.0964","0.0496","","","0.0989","0.1161","","","","","","1.015","","","","has coordinates","244079","2020-10-21","18:00:00",""
"7129453","7.7331","0.0011","20.6428","0.0019","12.1338","0.0015","90","","94.067","0.011","90","","1932.1","0.4","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H18 F2 O4 -","- C22 H20 F2 O4 -","- C88 H80 F8 O16 -","4","1","","Bakthadoss, Manickam; Reddy, Tadiparthi Thirupathi; Agarwal, Vishal; Sharada, Duddu Savaraiah","Ester directed orthogonal dual C-H activation and ortho aryl C-H alkenylation via distal weak coordination","Chemical Communications","2022","","","","","10.1039/D1CC06097J","","","0.71073","MoKα","","0.1453","0.094","","","0.2446","0.2798","","","","","","1.041","","","","has coordinates","271586","2021-12-22","22:52:18",""
"7130045","11.589","0.002","12.259","0.002","11.867","0.002","90","","110.793","0.003","90","","1576.1","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H13 Br N2 O -","- C16 H13 Br N2 O -","- C64 H52 Br4 N8 O4 -","4","1","","Leleu, Ludovic; Martzel, Thomas; Fall, Arona; Sanselme, Morgane; Levacher, Vincent; Oudeyer, Sylvain; Brière, Jean-François","Diastereoselective addition of redox active esters to azomethine imines by electrosynthesis","Chemical Communications","2022","","","","","10.1039/D2CC01795D","","","0.71073","MoKα","","0.0543","0.0326","","","0.0626","0.0658","","","","","","0.789","","","","has coordinates","274855","2022-05-03","21:54:58",""
"7130770","12.5797","0.0018","8.1298","0.0012","13.6651","0.0019","90","","104.883","0.003","90","","1350.7","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H14 F N O4 -","- C15 H14 F N O4 -","- C60 H56 F4 N4 O16 -","4","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","","x-ray","0.71073","MoKα","","0.0554","0.0447","","","0.1229","0.1334","","","","","","1.045","","","","has coordinates","278195","2022-09-26","21:53:44",""
"7131514","14.497","0.003","8.5378","0.0003","14.317","0.002","90","","108.12","0.03","90","","1684.2","0.5","200","2","200","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H19 Co N8 O -","- C12 H19 Co N8 O -","- C48 H76 Co4 N32 O4 -","4","1","","Moskwa, Marcin; Sobieszczyk, Paweł; Mikurenda, Julia W.; Zieliński, Piotr; Rok, Magdalena","Improper ferroelastic phase transition in a hydrogen-bonded metallocyanide-based (azetidinium)<sub>2</sub>(H<sub>3</sub>O)[Co(CN)<sub>6</sub>] framework.","Chemical communications (Cambridge, England)","2023","59","37","5535","5538","10.1039/d3cc01253k","","","0.71073","MoKα","","0.0727","0.0368","","","0.0924","0.0946","","","","","","1.066","","","","has coordinates","284176","2023-06-05","03:36:46",""
"7131556","7.5781","0.0003","25.7071","0.0009","14.971","0.0005","90","","104.588","0.004","90","","2822.49","0.18","100","0.1","100","0.1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","LKI0838a_10","","- C38 H14 F10 N4 -","- C38 H14 F10 N4 -","- C152 H56 F40 N16 -","4","1","","Kielesiński, Łukasz; Summa, Francesco F.; Conradie, Jeanet; Honig, Hilah C.; Friedman, Ariel; Monaco, Gugliemo; Elbaz, Lior; Ghosh, Abhik; Gryko, Daniel T.","Nonaromatic naphthocorroles.","Chemical communications (Cambridge, England)","2023","59","36","5439","5442","10.1039/d3cc01083j","","","1.54184","CuKα","","0.0801","0.0737","","","0.1467","0.1493","","","","","","1.22","","","","has coordinates,has disorder","283112","2023-05-05","00:31:20",""
"7150113","9.9321","0.001","13.1468","0.0005","11.9463","0.0005","90","","109.373","0.008","90","","1471.57","0.18","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H18 Br4 -","- C12 H18 Br4 -","- C48 H72 Br16 -","4","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","","0.71069","MoKα","","0.0618","0.0496","","0.1349","0.132","","","","0.95","1.067","1.067","","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150115","7.733","","15.842","","10.62","","90","","102.83","","90","","1268.53","","","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H18 Br2 -","- C12 H18 Br2 -","- C48 H72 Br8 -","4","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","x-ray","0.71069","Mokalpha","","","0.079","","","","0.076","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"7150184","11.503","0.008","15.7","0.02","18.53","0.01","90","","92.82","0.03","90","","3342","5","100.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C30 H32 F6 N2 Ni O8 S2 -","- C30 H32 F6 N2 Ni O8 S2 -","- C120 H128 F24 N8 Ni4 O32 S8 -","4","1","","Fossey, John S.; Matsubara, Ryosuke; Vital, Paulo; Kobayashi, Shū","A C2-symmetric nickel diamine complex as an asymmetric catalyst for enecarbamate additions to butane-2,3-dione.","Organic & biomolecular chemistry","2005","3","16","2910","2913","10.1039/b505404d","","","0.7107","MoKα","","","0.024","","","","0.03","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150212","21.854","0.012","10.992","0.005","7.77","0.01","90","","90.01","0.07","90","","1867","3","160","2","160","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","1","","Mateo Alonso, A.; Horcajada, Roberto; Groombridge, Helen J.; Chudasama Née Mandalia, Reshma; Motevalli, Majid; Utley, James H. P.; Wyatt, Peter B.","Synthesis of phenazine derivatives for use as precursors to electrochemically generated bases.","Organic & biomolecular chemistry","2005","3","15","2832","2841","10.1039/b506295k","","","0.71073","MoKα","","0.1357","0.066","","","0.1564","0.1887","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150277","8.72","0.005","12.944","0.009","8.918","0.005","90","0.02","100.47","0.04","90","0.03","989.8","1.1","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","","Müller, Petra U; Weber, Edwin; Rheinwald, Gerd; Seichter, Wilhelm","Oligofunctional amphiphiles featuring geometric core group preorganization: synthesis and study of Langmuir and Langmuir-Blodgett films.","Organic & biomolecular chemistry","2005","3","20","3757","3766","10.1039/b509917j","","","1.5418","CuKα","","0.0814","0.0606","","","0.1554","0.1744","","","","","","1.005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150312","22.3209","0.0006","5.822","0.0002","22.4854","0.0007","90","","116.634","0.0012","90","","2611.97","0.14","120","","120","","","","","","","","?","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H27 N O2 -","- C36 H27 N O2 -","- C144 H108 N4 O8 -","4","1","","Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander","On the reaction of diphenylketene with isocyanides.","Organic & biomolecular chemistry","2005","3","23","4246","4251","10.1039/B512826A","","","0.71073","MoKα","","0.084","0.0396","","0.079","0.0415","0.0415","","","","","","1.0962","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150317","11.185","0.002","8.1266","0.0004","12.711","0.003","90","","107.343","0.009","90","","1102.9","0.3","296","2","296","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H17 N3 O -","- C10 H17 N3 O -","- C40 H68 N12 O4 -","4","1","","Reisinger, Ales; Bernhardt, Paul V.; Wentrup, Curt","Synthesis of 1,3-diazepines and ring contraction to cyanopyrroles.","Organic & biomolecular chemistry","2004","2","2","246","256","10.1039/b311247k","","x-ray","0.71073","MoKα","","0.0581","0.0414","","","0.1066","0.1191","","","","","","1.065","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150540","8.2446","0.0002","17.2928","0.0004","11.6833","0.0002","90","","107.177","0.0017","90","","1591.42","0.06","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Methyl E-2-cyano-3-(2-(Dimethylamino)biphen-2-yl)propenoate","Methyl E-2-cyano-3-(2-(Dimethylamino)biphen-2-yl)propenoate","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","O'Leary, Jane; Wallis, John D.","Interactions and reactions in some 2,2′-disubstituted biphenyls—an open or shut case","Organic & Biomolecular Chemistry","2009","7","2","225","228","10.1039/b814615b","","","0.71073","MoKα","","0.0603","0.0434","","","0.107","0.1142","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150726","16.2859","0.0002","18.576","0.0004","17.0941","0.0003","90","","107.105","0.0008","90","","4942.68","0.15","103","2","103","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C49 H65 F3 O16 -","- C49 H65 F3 O16 -","- C196 H260 F12 O64 -","4","1","","Tanima, Daisuke; Imamura, Yoko; Kawabata, Takeo; Tsubaki, Kazunori","Development of highly sensitive and selective molecules for detection of spermidine and spermine","Organic & Biomolecular Chemistry","2009","7","22","4689","4694","10.1039/b909682e","","","0.71069","MoKα","","0.0564","0.0475","","","0.1121","0.1186","","","","","","1.061","","","","has coordinates,has disorder","180293","2020-10-21","18:00:00",""
"7150947","8.5421","0.0006","26.3062","0.0018","8.6602","0.0006","90","","111.132","0.003","90","","1815.2","0.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H15 Cl N2 O4 -","- C20 H15 Cl N2 O4 -","- C80 H60 Cl4 N8 O16 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","x-ray","0.71073","MoKα","","0.0496","0.0394","","","0.0916","0.0967","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150993","10.8392","0.0001","28.0222","0.0003","12.2118","0.0001","90","","110.557","0.0005","90","","3473","0.06","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C160 H200 N8 O16 -","8","2","","Aciro, Caroline; Davies, Stephen G.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E.","Ammonium-directed dihydroxylation: metal-free synthesis of the diastereoisomers of 3-aminocyclohexane-1,2-diol","Organic & Biomolecular Chemistry","2008","6","20","3762","3770","10.1039/b808812h","","","0.71073","MoKα","","0.085","0.0453","","0.0861","0.0459","0.0426","","","","","","1.1211","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151032","11.8532","0.0003","7.1565","0.0002","16.0428","0.0004","90","","102.421","0.001","90","","1329.02","0.06","150","2","150","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C13 H22 O4 -","- C13 H22 O4 -","- C52 H88 O16 -","4","1","","Butters, Michael; Beetstra, Dirk J.; Elliott, Mark C.; Hill-Cousins, Joseph; Kariuki, Benson M.","Directed epoxidation of cyclohexa-1,4-dienes‒stereoselective formation of up to six contiguous stereogenic centres","Organic & Biomolecular Chemistry","2008","6","23","4426","4434","10.1039/b814131m","","","0.71073","MoKα","","0.1026","0.0752","","","0.1923","0.213","","","","","","1.044","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151060","12.301","0.0004","11.053","0.0003","13.202","0.0004","90","","112.715","0.001","90","","1655.76","0.09","273.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C17 H26 O3 -","- C17 H26 O3 -","- C68 H104 O12 -","4","1","","Takagi, Ryukichi; Miwa, Yukiko; Nerio, Takashi; Inoue, Yuta; Matsumura, Shuji; Ohkata, Katsuo","Stereochemical investigation on the construction of poly-functionalized bicyclo[3.3.1]nonenones by successive Michael reactions of 2-cyclohexenones.","Organic & biomolecular chemistry","2007","5","2","286","300","10.1039/b615702e","","","0.7107","MoKα","","","0.0741","","","","0.2924","","","","","","1.465","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151147","10.2895","0.0006","10.2232","0.0005","22.4956","0.0011","90","","94.284","0.002","90","","2359.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H31 N O6 S -","- C22 H31 N O6 S -","- C88 H124 N4 O24 S4 -","4","1","","Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S.","Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes.","Organic & biomolecular chemistry","2007","5","18","2925","2931","10.1039/b708139a","","","1.54178","CuKα","","0.0671","0.0476","","","0.1293","0.1469","","","","","","1.015","","","","has coordinates,has disorder","180297","2020-10-21","18:00:00",""
"7151149","6.1394","0.0008","21.563","0.003","13.0265","0.0014","90","","102.48","0.008","90","","1683.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H23 N O4 S -","- C17 H23 N O4 S -","- C68 H92 N4 O16 S4 -","4","1","","Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S.","Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes.","Organic & biomolecular chemistry","2007","5","18","2925","2931","10.1039/b708139a","","","1.54178","CuKα","","0.1303","0.0894","","","0.2196","0.2425","","","","","","1.074","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151152","13.9345","0.0002","8.792","0.0002","16.3108","0.0003","90","","96.0142","0.0011","90","","1987.27","0.06","200","","200","","","","","","","","?","3","P 1 21/a 1","-P 2yab","14","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","1","","Tripoli, Regis; Cayzer, Tory N.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N.","Stereocontrol of intramolecular Diels‒Alder reactions by an allylic diphenylcyclopropyl group","Organic & Biomolecular Chemistry","2007","5","16","2606","","10.1039/b708324f","","","0.71073","MoKα","","0.0485","0.0325","","0.0427","0.0351","0.0351","","","","","","1.1283","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151169","11.0274","0.0005","8.9869","0.0005","21.255","0.0008","90","","91.304","0.003","90","","2105.87","0.17","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C44 H56 N8 O8 -","- C44 H56 N8 O8 -","- C88 H112 N16 O16 -","2","0.5","","Wilson, Jennifer M.; Giordani, Federica; Farrugia, Louis J.; Barrett, Michael P.; Robins, David J.; Sutherland, Andrew","Synthesis, characterisation and anti-protozoal activity of carbamate-derived polyazamacrocycles.","Organic & biomolecular chemistry","2007","5","22","3651","3656","10.1039/b710487a","","x-ray","0.71073","MoKα","","0.1194","0.0589","","","0.1213","0.1376","","","","","","1.056","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151291","9.471","0.005","30.489","0.006","10.734","0.005","90","","114.03","0.03","90","","2831","2","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C34 H39 N O2 -","- C34 H39 N O2 -","- C136 H156 N4 O8 -","4","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.11358","0.05277","","","0.1171","0.16084","","","","","","1.102","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151296","9.6549","0.0002","12.9703","0.0003","14.7696","0.0004","90","","108.643","0.001","90","","1752.5","0.07","150","2","150","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","5-(4-Methoxybenzylidene)-2-methyl-2-(2-phenylethyl)-1,3- dioxane-4,6-dione","5-(4-Methoxybenzylidene)-2-methyl-2-(2-phenylethyl)-1,3-dioxane-4,6-dione","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","1","","Casadesus, Meritxell; Coogan, Michael P.; Ooi, Li-Ling","Synthesis of 5-alkylidene-1,3-dioxane-4,6-diones, an easily accessible family of axially chiral alkenes: preparation in non-racemic form and platinum binding studies.","Organic & biomolecular chemistry","2006","4","20","3822","3830","10.1039/b608785j","","","0.71073","MoKα","","0.0899","0.0524","","","0.1052","0.1171","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151297","20.617","0.001","9.336","0.001","20.742","0.002","90","","95.882","0.006","90","","3971.4","0.6","130","","130","","","","","","","","by syntheses / see text","4","P 1 21/a 1","-P 2yab","14","","","","- C44 H48 O10 S2 -","- C44 H48 O10 S2 -","- C176 H192 O40 S8 -","4","1","","Geertsema, Edzard M.; Schoevaars, Anne Marie; Meetsma, Auke; Feringa, Ben L.","Bisthioxanthylidene biscrown ethers as potential stereodivergent chiral ligands","Organic & Biomolecular Chemistry","2006","4","22","4101","","10.1039/b609271c","","","0.71073","MoKα","","0.1665","0.1148","","","0.3048","0.3425","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151414","6.751","0.002","24.363","0.009","8.091","0.001","90","","101.75","0.02","90","","1302.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H17 F2 O5 P -","- C8 H17 F2 O5 P -","- C32 H68 F8 O20 P4 -","4","1","","Arnaud Henry-dit-Quesnel; Loic Toupet; Jean-Claude Pommelet; Thierry Lequeux","A difluorosulfide as a Freon-free source of phosphonodifluoromethyl carbanion","Org. Biomol. Chem.","2003","1","14","2486","2491","10.1039/b301729j","","","0.71069","MoKα","","0.0664","0.0446","","","0.124","0.1349","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151417","12.9389","0.0002","11.7515","0.0003","16.957","0.0004","90","","111.055","0.0008","90","","2406.2","0.09","200","","","","","","","","","","Local laboratory","4","P 1 21/a 1","-P 2yab","14","","","","- C27 H34 O3 Si -","- C27 H34 O3 Si -","- C108 H136 O12 Si4 -","4","1","","Chaplin, Jason H.; Edwards, Alison J.; Flynn, Bernard L.","An enantioselective double Diels?Alder approach to the tetracyclic framework of colombiasin AElectronic supplementary information (ESI) available: Detailed procedures for the preparation of all compounds and their spectral data. See http://www.rsc.org/suppdata/ob/b3/b302522e/","Organic & Biomolecular Chemistry","2003","1","11","1842","","10.1039/b302522e","","","0.71073","MoKα","","","0.0349","","","","0.0409","","","","","","1.0528","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151466","7.4491","0.0005","13.6937","0.001","13.8646","0.001","90","","91.317","0.003","90","","1413.9","0.17","200","","","","","","","","","","Local laboratory","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H11 Cl2 N O4 -","- C14 H11 Cl2 N O4 -","- C56 H44 Cl8 N4 O16 -","4","1","","Easton, Christopher J.; Edwards, Alison J.; McNabb, Stephen B.; Merrett, Martin C.; O'Connell, Jenny L.; Simpson, Gregory W.; Simpson, Jamie S.; Willis, Anthony C.","Allylic halogenation of unsaturated amino acidsElectronic supplementary information (ESI) available: synthesis and characterisation of compounds 14?20 and 24?26. See http://www.rsc.org/suppdata/ob/b3/b303719c/","Organic & Biomolecular Chemistry","2003","1","14","2492","","10.1039/b303719c","","","0.71073","MoKα","","","0.0864","","","","0.0944","","","","","","1.0057","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151481","11.0215","0.0006","21.108","0.001","16.2925","0.0005","90","","92.524","0.002","90","","3786.6","0.3","296.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C31 H57 Cl3 N2 P2 Pt S -","- C31 H57 Cl3 N2 P2 Pt S -","- C124 H228 Cl12 N8 P8 Pt4 S4 -","4","1","","Liang, Hongze; Ito, Shigekazu; Yoshifuji, Masaaki","Preparation, structure and coordination properties of 3,3-bis(diisopropylamino)-3-thioxo-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropene","Organic & Biomolecular Chemistry","2003","1","17","3054","","10.1039/b305216h","","","0.7107","MoKα","","","0.0406","","","","0.0542","","","","","","1.571","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151497","10.483","0.005","9.356","0.004","12.297","0.003","90","","101.14","0.03","90","","1183.4","0.8","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H16 N4 O -","- C11 H16 N4 O -","- C44 H64 N16 O4 -","4","1","","Blake, Alexander J.; Clarke, David; Mares, Richard W.; McNab, Hamish","Synthesis and chemistry of 3-tert-butyl-1,5-diaminopyrazole.","Organic & biomolecular chemistry","2003","1","23","4268","4274","10.1039/b306058f","","","0.71073","MoKα","","0.139","0.057","","","0.136","0.171","","","","","","1.009","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7151507","32.9322","0.0014","8.629","0.0004","36.665","0.002","90","","99.019","0.002","90","","10290.3","0.9","150","","150","","","","","","","","?","5","P 1 21/a 1","-P 2yab","14","","","","- C112 H111 Cl3 N6 Si3 -","- C112 H111 Cl3 N6 Si3 -","- C448 H444 Cl12 N24 Si12 -","4","1","","Krivokapic, Alexander; Anderson, Harry L.","Synthesis and crystal structure of a meso-trialkynyl-[28]hexaphyrinThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3639","","10.1039/b306725b","","","0.71073","MoKα","","0.2122","0.1833","","0.2016","0.1626","0.1611","","","","","","0.9523","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151510","15.0086","0.0005","8.0675","0.0003","15.1036","0.0005","90","","98.916","0.002","90","","1806.67","0.11","150","","150","","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","","John E. Moses; Jack E. Baldwin; Sébastien Brückner; Serena J. Eade; Robert M. Adlington","Biomimetic studies on polyenes","Org. Biomol. Chem.","2003","1","21","3670","3684","10.1039/b306933h","","","0.71073","MoKα","","","0.043","","","","0.0527","","","","","","1.0561","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151532","14.02","0.003","18.711","0.003","14.289","0.003","90","","117.76","0.01","90","","3317","1.2","298.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C68 H48 Cl10 N4 O8 -","- C68 H48 Cl10 N4 O8 -","- C136 H96 Cl20 N8 O16 -","2","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/","Organic & Biomolecular Chemistry","2003","1","21","3857","","10.1039/b307132d","","","0.7107","MoKa","","","0.07","","","","0.1792","","","","","","1.104","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7151535","14.995","0.003","12.084","0.002","15.045","0.003","90","","116.761","0.004","90","","2434.2","0.8","173.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C48 H18 Cl8 F12 N4 -","- C48 H18 Cl8 F12 N4 -","- C96 H36 Cl16 F24 N8 -","2","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/","Organic & Biomolecular Chemistry","2003","1","21","3857","","10.1039/b307132d","","","0.7107","MoKa","","","0.0742","","","","0.1869","","","","","","1.665","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7151693","13.483","0.0005","7.543","0.0003","14.765","0.0005","90","","114.997","0.002","90","","1360.98","0.09","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H12 N2 O4 S -","- C14 H12 N2 O4 S -","- C56 H48 N8 O16 S4 -","4","1","","Jeffs, Laura; Arquier, Damien; Kariuki, Benson; Bethell, Donald; Page, Philip C Bulman; Hutchings, Graham J.","On the enantioselectivity of aziridination of styrene catalysed by copper triflate and copper-exchanged zeolite Y: consequences of the phase behaviour of enantiomeric mixtures of N-arene-sulfonyl-2-phenylaziridines.","Organic & biomolecular chemistry","2011","9","4","1079","1084","10.1039/C0OB00724B","","","0.71073","MoKα","","0.065","0.045","","","0.0997","0.109","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151696","14.2593","0.0003","12.1166","0.0003","19.4748","0.0005","90","","101.738","0.001","90","","3294.38","0.14","200","2","200","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C38 H42 Cu2 N4 -","- C38 H38 Cu2 N4 -","- C152 H152 Cu8 N16 -","4","1","","Wu, Hung-Chou; Hwang, Long-Chih; Wu, Ming-Jung","A copper-mediated cyclization reaction of hydrazine with enediynones providing pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2011","9","3","670","672","10.1039/C0OB00756K","","","0.71073","MoKα","","0.058","0.0432","","","0.1097","0.1192","","","","","","1.037","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151888","11.299","0.003","4.2309","0.0009","14.743","0.003","90","","90.229","0.008","90","","704.8","0.3","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","","","- C8 H7 N3 -","- C8 H7 N3 -","- C32 H28 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0797","0.0565","","","0.1401","0.1539","","","","","","1.136","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7152085","8.751","0.003","10.6327","0.0017","21.676","0.006","90","","100.49","0.03","90","","1983.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","1-{4-[1-(pyridin-2-ylmethyl)-1H-1,2,3-triazol-4-yl]phenyl} -3-[4-(trifluoromethyl)phenyl]urea","","- C22 H17 F3 N6 O -","- C22 H17 F3 N6 O -","- C88 H68 F12 N24 O4 -","4","1","","Bergamaschi, Greta; Boiocchi, Massimo; Monzani, Enrico; Amendola, Valeria","Pyridinium/urea-based anion receptor: methine formation in the presence of basic anions.","Organic & biomolecular chemistry","2011","9","24","8276","8283","10.1039/c1ob06193c","","","0.71073","MoKα","","0.0992","0.0737","","","0.1688","0.1916","","","","","","1.057","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152179","5.135","0.0002","10.7533","0.0006","15.1732","0.0008","90","","94.763","0.003","90","","834.94","0.07","150","","150","","","","","","","","synthetic","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H12 N2 S -","- C7 H12 N2 S -","- C28 H48 N8 S4 -","4","1","","Donohoe, Timothy J.; Kabeshov, Mikhail A.; Rathi, Akshat H.; Smith, Ian E. D.","Direct preparation of thiazoles, imidazoles, imidazopyridines and thiazolidines from alkenes.","Organic & biomolecular chemistry","2012","10","5","1093","1101","10.1039/c1ob06587d","","","0.71073","MoKα","","0.079","0.0623","","0.1829","0.1697","0.1829","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152546","7.938","0.003","23.823","0.004","9.277","0.003","90","","104.96","0.03","90","","1694.9","0.9","294","2","294","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H25 N O2 -","- C18 H25 N O2 -","- C72 H100 N4 O8 -","4","1","","Amat, Mercedes; Semak, Vladislav; Escolano, Carmen; Molins, Elies; Bosch, Joan","Enantioselective, protecting group-free synthesis of 1S-ethyl-4-substituted quinolizidines.","Organic & biomolecular chemistry","2012","10","34","6866","6875","10.1039/c2ob25392e","","x-ray","0.71073","MoKα","","0.1709","0.0528","","","0.1158","0.1479","","","","","","0.888","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152704","11.0917","0.0005","17.5158","0.0006","16.208","0.0006","90","","109.615","0.002","90","","2966.2","0.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H11 Cl N2 O -","- C18 H11 Cl N2 O -","- C144 H88 Cl8 N16 O8 -","8","2","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0503","0.0449","","","0.131","0.1369","","","","","","1.068","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152937","10.8452","0.0019","20.44","0.003","8.5123","0.0018","90","","106.969","0.015","90","","1804.8","0.6","213.1","","213","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H20 Cl2 N4 O -","- C16 H20 Cl2 N4 O -","- C64 H80 Cl8 N16 O4 -","4","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0509","","","","0.1532","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153007","20.601","0.003","10.491","0.0013","24.723","0.006","90","","100.277","0.016","90","","5257.5","1.6","140","2","140","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound cone-2","","","- C51 H76 N6 O11 -","- C51 H76 N6 O11 -","- C204 H304 N24 O44 -","4","1","","Ni, Xin-Long; Jin, Cheng-Cheng; Jiang, Xue-Kai; Takimoto, Masashi; Rahman, Shofiur; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Tri-substituted hexahomotrioxacalix[3]arene derivatives bearing imidazole units: synthesis and extraction properties for cations and chromate anions.","Organic & biomolecular chemistry","2013","11","33","5435","5442","10.1039/c3ob40601f","","","0.71073","Mo-Kα","","0.1544","0.0584","","","0.0884","0.1097","","","","","","0.886","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153008","20.7295","0.0017","12.6213","0.0004","37.718","0.003","90","","100.908","0.006","90","","9690","1.2","140","2","140","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound partial-cone-2","","","- C51 H68 N6 O7 -","- C51 H68 N6 O7 -","- C408 H544 N48 O56 -","8","2","","Ni, Xin-Long; Jin, Cheng-Cheng; Jiang, Xue-Kai; Takimoto, Masashi; Rahman, Shofiur; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Tri-substituted hexahomotrioxacalix[3]arene derivatives bearing imidazole units: synthesis and extraction properties for cations and chromate anions.","Organic & biomolecular chemistry","2013","11","33","5435","5442","10.1039/c3ob40601f","","","0.71073","Mo-Kα","","0.1023","0.0508","","","0.0958","0.1087","","","","","","0.969","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153022","16.8022","0.0002","14.5818","0.0002","19.7887","0.0003","90","","93.414","0.001","90","","4839.75","0.11","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C30 H18 Br N O3 -","- C30 H18 Br N O3 -","- C240 H144 Br8 N8 O24 -","8","2","","Lee, Yu-Ting; Lee, Yen-Te; Lee, Chia-Jui; Sheu, Chia-Ning; Lin, Bo-Yu; Wang, Jeng-Han; Lin, Wenwei","Chemoselective synthesis of tetrasubstituted furans via intramolecular Wittig reactions: mechanism and theoretical analysis.","Organic & biomolecular chemistry","2013","11","31","5156","5161","10.1039/c3ob40858b","","","0.71073","MoKα","","0.1141","0.0608","","","0.1638","0.2162","","","","","","0.796","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153297","14.466","0.004","6.5627","0.0019","12.39","0.004","90","","111.88","0.02","90","","1091.5","0.6","295","","295","2","","","","","","","see text","5","P 1 21/a 1","-P 2yab","14","Pestalactam A","","","- C10 H12 Cl N O4 -","- C10 H12 Cl N O4 -","- C40 H48 Cl4 N4 O16 -","4","1","","Davis, Rohan A.; Carroll, Anthony R.; Andrews, Katherine T.; Boyle, Glen M.; Tran, Truc Linh; Healy, Peter C.; Kalaitzis, John A.; Shivas, Roger G.","Pestalactams A-C: novel caprolactams from the endophytic fungus Pestalotiopsis sp.","Organic & biomolecular chemistry","2010","8","8","1785","1790","10.1039/b924169h","","","0.7107","MoKα","","0.0933","0.0633","","","0.1608","0.1815","","","","","","1.055","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153333","14.0275","0.0019","7.7306","0.0012","18.294","0.0018","90","","103.65","0.008","90","","1927.8","0.4","296.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H19 N O5 S -","- C20 H19 N O5 S -","- C80 H76 N4 O20 S4 -","4","1","","Shibata, Ikuya; Kojima, Ryota; Tsunoi, Shinji; Nozaki, Takashi; Watanabe, Tomonari; Ninomiya, Atsushi; Yasuda, Makoto; Baba, Akio","Synthesis of oxazolidinones initiated by regio- and diastereo-controlled crotylation of alpha-dicarbonyl compounds.","Organic & biomolecular chemistry","2010","8","9","2009","2011","10.1039/c000197j","","","0.71069","MoKα","","","0.0482","","","","0.0556","","","","","","1.11","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153364","8.3937","0.0004","11.5174","0.0007","13.4324","0.0006","90","","100.112","0.003","90","","1278.39","0.11","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1-96","1-96","","- C12 H21 N O2 -","- C12 H21 N O2 -","- C48 H84 N4 O8 -","4","1","","Robertson, Jeremy; Feast, George C.; White, Louise V.; Steadman, Victoria A.; Claridge, Timothy D. W.","Structure and reactivity of bicyclic methylene aziridines prepared by intramolecular aziridination of allenes.","Organic & biomolecular chemistry","2010","8","13","3060","3063","10.1039/c003693e","","","0.71073","MoKα","","0.0764","0.0528","","0.1595","0.1422","0.1592","","","","","","1.0409","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153515","14.9171","0.0002","12.9531","0.0002","19.9159","0.0003","90","","107.734","0.0008","90","","3665.33","0.09","172","","","","","","","","","","Diederich Group","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C176 H176 N16 O16 -","8","2","","Faraoni, Raffaella; Blanzat, Muriel; Kubicek, Stefan; Braun, Christophe; Schweizer, W. Bernd; Gramlich, Volker; Diederich, Fran�ois","New Rebek imide-type receptors for adenine featuring acetylene-linked ?-stacking platformsElectronic supplementary information (ESI) available: synthetic protocols, binding studies and Job plot analysis. See http://www.rsc.org/suppdata/ob/b4/b404311a/.","Organic & Biomolecular Chemistry","2004","2","14","1962","1964","10.1039/b404311a","","","0.71073","MoKα","","0.0671","0.0485","","","0.1391","0.1541","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153527","22.881","0.003","6.314","0.001","28.86","0.004","90","","109.86","0.01","90","","3921.4","1","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-(4-tert-butylphenyl)-5-(4-(2-pyrazylethynyl)phenyl)-1,3,4- oxadiazole","2-(4-tert-butylphenyl)-5-{4-(2-pyrazylethynyl)phenyl}- 1,3,4-oxadiazole","","- C24 H20 N4 O -","- C24 H20 N4 O -","- C192 H160 N32 O8 -","8","2","","Hughes, Gregory; Kreher, David; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.","Ethynyl ?-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties","Organic & Biomolecular Chemistry","2004","2","22","3363","3367","10.1039/b407698m","","","0.71073","MoKα","","0.0823","0.0497","","","0.1328","0.1537","","","","","","0.971","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153540","7.309","0.001","15.546","0.001","13.8909","0.0009","90","","104.34","0.008","90","","1529.2","0.3","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kunitomo, Jun-ichi; Yamashita, Masayuki; Ohta, Shunsaku; Nabe, Takeshi; Kohno, Shigekatsu; Yokomizo, Takehiko; Shimizu, Takao; Ohishi, Yoshitaka","Preparation of 2- and 4-(2-alkylcarbamoyl-1-methylvinyl)-7-alkyloxybenzo[b]furans having potent antagonistic activity against human leukotriene B4 BLT1 and/or BLT2 receptors","Organic & Biomolecular Chemistry","2004","2","23","3427","3431","10.1039/b411286e","","","1.5418","CuKα","","","0.0659","","","","0.213","","","","","","1.721","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153627","12.1661","0.0007","7.275","0.0004","14.9877","0.0008","90","","111.517","0.0017","90","","1234.09","0.12","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H10 I N3 O -","- C13 H10 I N3 O -","- C52 H40 I4 N12 O4 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0336","0.0281","","","0.0629","0.0653","","","","","","1.054","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153632","13.3","0.003","5.2093","0.0011","21.672","0.006","90","","95.208","0.008","90","","1495.3","0.6","250","2","250","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H6 F3 I2 N3 -","- C13 H6 F3 I2 N3 -","- C52 H24 F12 I8 N12 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0436","0.0327","","","0.0706","0.0756","","","","","","1.032","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153692","11.471","","7.889","","15.246","","90","","93.54","","90","","1377.05","","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C64 H64 O8 S4 -","4","1","","Carroccia, Laura; Degennaro, Leonardo; Romanazzi, Giuseppe; Cuocci, Corrado; Pisano, Luisa; Luisi, Renzo","Straightforward access to 4-membered sulfurated heterocycles: introducing a strategy for the single and double functionalization of thietane 1-oxide.","Organic & biomolecular chemistry","2014","12","14","2180","2184","10.1039/c4ob00173g","","","0.71073","MoKα","","0.095","0.0547","","","0.1239","0.1438","","","","","","1.032","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153834","18.1361","0.0009","11.0596","0.0005","20.1127","0.0009","90","","115.888","0.006","90","","3629.3","0.3","180","","180","","","","101","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C36 H39 Cl Hg O4 S4 -","- C36 H39 Cl Hg O4 S4 -","- C144 H156 Cl4 Hg4 O16 S16 -","4","1","","Botha, F.; Böhm, S; Dvořáková, H; Eigner, V.; Lhoták, P","Mercuration of thiacalix[4]arenes in the cone and 1,3-alternate conformations.","Organic & biomolecular chemistry","2014","12","28","5136","5143","10.1039/c4ob00799a","","","1.5418","CuKα","","0.12","0.1076","","0.3006","0.2934","0.3006","","","","","","0.989","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153852","9.4849","0.0008","18.4276","0.0016","19.2588","0.0017","90","","92.1781","0.0015","90","","3363.7","0.5","110","2","110","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C34 H28 F12 N2 O2 S2 -","- C34 H28 F12 N2 O2 S2 -","- C136 H112 F48 N8 O8 S8 -","4","1","","Van Rossom, Wim; Terentyeva, Tatyana G.; Sodeyama, Keitaro; Matsushita, Yoshitaka; Tateyama, Yoshitaka; Ariga, Katsuhiko; Hill, Jonathan P.","Arylpyrrole oligomers as tunable anion receptors.","Organic & biomolecular chemistry","2014","12","29","5492","5499","10.1039/c4ob00357h","","","0.71073","MoKα","","0.0571","0.0435","","","0.1083","0.1182","","","","","","1.088","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7154033","7.4383","0.001","12.2361","0.0017","27.524","0.003","90","","96.983","0.005","90","","2486.5","0.6","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H22 N2 O2 -","- C36 H22 N2 O2 -","- C144 H88 N8 O8 -","4","1","","Marquise, Nada; Dorcet, Vincent; Chevallier, Floris; Mongin, Florence","Synthesis of substituted azafluorenones from dihalogeno diaryl ketones by palladium-catalyzed auto-tandem processes.","Organic & biomolecular chemistry","2014","12","41","8138","8141","10.1039/c4ob01629g","","x-ray","0.71073","MoKα","","0.124","0.0587","","","0.1292","0.1588","","","","","","0.995","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154067","7.6923","0.0007","46.482","0.006","9.9383","0.0017","90","","112.199","0.011","90","","3290.1","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H32 O8 S4 -","- C36 H32 O8 S4 -","- C144 H128 O32 S16 -","4","1","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.0978","0.0589","","","0.1564","0.1712","","","","","","1.04","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154367","9.106","0.003","9.532","0.003","20.806","0.001","90","","99.034","0.012","90","","1783.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Li, Gang; Li, Li; Huang, Haihong; Yin, Dali","Ti(iv)-catalyzed cascade synthesis of tetrahydrofuro[3,2-d]oxazole from arene-1,4-diones.","Organic & biomolecular chemistry","2015","13","15","4418","4421","10.1039/c5ob00174a","","","1.54178","CuKα","","0.0518","0.0471","","","0.1431","0.1491","","","","","","1.102","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154569","10.4066","0.0003","7.3334","0.0002","12.2408","0.0004","90","","104.422","0.002","90","","904.73","0.05","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H5 N O S4 -","- C6 H5 N O S4 -","- C24 H20 N4 O4 S16 -","4","1","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0282","0.0256","","","0.0616","0.0627","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154771","10.604","0.002","10.844","0.002","11.111","0.003","90","","100.939","0.005","90","","1254.4","0.5","93","","93","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C48 H64 N8 O8 -","4","1","","Soeta, Takahiro; Takashita, Suguru; Sakata, Yoko; Ukaji, Yutaka","Phosphinic acid-promoted addition reaction of isocyanides to (Z)-hydroximoyl chlorides: efficient synthesis of α-(hydroxyimino)amides.","Organic & biomolecular chemistry","2015","14","2","694","700","10.1039/c5ob02032h","","","0.71073","MoKα","","0.0614","0.0533","","","0.1495","0.1622","","","","","","1.068","","","","has coordinates","176136","2020-10-21","18:00:00",""
"7154840","8.8066","0.0001","13.3703","0.0002","12.5739","0.0002","90","","105.106","0.0005","90","","1429.38","0.04","150","","150","","","","","","","","syn","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H14 Br N -","- C18 H14 Br N -","- C72 H56 Br4 N4 -","4","1","","Pilgrim, Ben S.; Gatland, Alice E.; Esteves, Carlos H. A.; McTernan, Charlie T.; Jones, Geraint R.; Tatton, Matthew R.; Procopiou, Panayiotis A.; Donohoe, Timothy J.","Palladium-catalyzed enolate arylation as a key C-C bond-forming reaction for the synthesis of isoquinolines.","Organic & biomolecular chemistry","2016","14","3","1065","1090","10.1039/c5ob02320c","","","0.71073","MoKα","","0.0371","0.0326","","0.0772","0.073","0.0772","","","","","","0.8809","","","","has coordinates","176164","2020-10-21","18:00:00",""
"7155150","10.9419","0.0006","24.477","0.0012","11.0478","0.0009","90","","118.723","0.0016","90","","2594.8","0.3","90","2","90","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H26 N4 O7 Ru -","- C28 H26 N4 O7 Ru -","- C112 H104 N16 O28 Ru4 -","4","1","","Yoshida, Ryota; Isozaki, Katsuhiro; Yokoi, Tomoya; Yasuda, Nobuhiro; Sadakane, Koichiro; Iwamoto, Takahiro; Takaya, Hikaru; Nakamura, Masaharu","ONO-pincer ruthenium complex-bound norvaline for efficient catalytic oxidation of methoxybenzenes with hydrogen peroxide.","Organic & biomolecular chemistry","2016","14","31","7468","7479","10.1039/c6ob00969g","","","0.78305","Synchrotron","","0.0612","0.0412","","","0.0848","0.1032","","","","","","1.091","","","","has coordinates,has disorder","185647","2020-10-21","18:00:00",""
"7155473","7.875","0.002","16.458","0.004","12.568","0.003","90","","100.553","0.003","90","","1601.3","0.7","193","2","193","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C16 H12 Cl N2 O2 Rh -","- C16 H12 Cl N2 O2 Rh -","- C64 H48 Cl4 N8 O8 Rh4 -","4","1","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0579","0.042","","","0.0827","0.0896","","","","","","1.089","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155505","7.8685","0.0004","15.9375","0.0007","10.112","0.0004","90","","102.539","0.005","90","","1237.84","0.1","295","2","295","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","dimethyl 2-((4-nitrophenyl)amino)malonate","","- C11 H12 N2 O6 -","- C11 H12 N2 O6 -","- C44 H48 N8 O24 -","4","1","","Ramakrishna, Kankanala; Sivasankar, Chinnappan","Iridium catalyzed acceptor/acceptor carbene insertion into N-H bonds in water.","Organic & biomolecular chemistry","2017","15","11","2392","2396","10.1039/c7ob00177k","","","0.71073","MoKα","","0.0665","0.047","","","0.1224","0.1374","","","","","","1.038","","","","has coordinates","195176","2020-10-21","18:00:00",""
"7155792","10.337","0.002","25.595","0.005","14.097","0.003","90","","97.574","0.005","90","","3697.2","1.3","93","2","93","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C45 H51 B N2 S -","- C45 H51 B N2 S -","- C180 H204 B4 N8 S4 -","4","1","","Maeda, Chihiro; Nagahata, Keiji; Ema, Tadashi","Carbazole-based BODIPYs with ethynyl substituents at the boron center: solid-state excimer fluorescence in the VIS/NIR region","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01473B","","","1.54187","CuKα","","0.0689","0.0568","","","0.1486","0.1593","","","","","","1.048","","","","has coordinates","199510","2020-10-21","18:00:00",""
"7155793","11.733","0.003","9.921","0.002","21.775","0.005","90","","94.847","0.009","90","","2525.6","1","93","2","93","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C29 H27 B N4 S -","- C29 H27 B N4 S -","- C116 H108 B4 N16 S4 -","4","1","","Maeda, Chihiro; Nagahata, Keiji; Ema, Tadashi","Carbazole-based BODIPYs with ethynyl substituents at the boron center: solid-state excimer fluorescence in the VIS/NIR region","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01473B","","","1.54187","CuKα","","0.0386","0.0348","","","0.0973","0.0997","","","","","","1.041","","","","has coordinates","199510","2020-10-21","18:00:00",""
"7156008","14.189","0.014","4.122","0.004","19.078","0.019","90","","96.17","0.012","90","","1109.4","1.9","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H8 I N S -","- C12 H8 I N S -","- C48 H32 I4 N4 S4 -","4","1","","Sonawane, Amol D.; Garud, Dinesh R.; Udagawa, Taro; Koketsu, Mamoru","Synthesis of thieno[2,3-b]quinoline and selenopheno[2,3-b]quinoline derivatives via iodocyclization reaction and a DFT mechanistic study.","Organic & biomolecular chemistry","2018","16","2","245","255","10.1039/c7ob02523h","","","0.7107","MoKα","","0.0607","0.047","","","0.1189","0.1346","","","","","","0.809","","","","has coordinates","230713","2020-10-21","18:00:00",""
"7156610","8.5538","0.0005","28.5184","0.0014","9.9217","0.0005","90","","104.085","0.005","90","","2347.5","0.2","298","2","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H21 Br N2 O8 -","- C25 H21 Br N2 O8 -","- C100 H84 Br4 N8 O32 -","4","1","","Bakthadoss, Manickam; Jayakumar, Srinivasan; Raman, Selvakumar; Devaraj, Anthonisamy; Sharada, Duddu S.","A novel multicomponent quadruple/double quadruple domino reaction: highly efficient synthesis of polyheterocyclic architectures.","Organic & biomolecular chemistry","2019","17","16","3884","3893","10.1039/c8ob02970a","","","0.71073","MoKα","","0.0835","0.0463","","","0.0808","0.093","","","","","","1.05","","","","has coordinates","225169","2020-10-21","18:00:00",""
"7156738","7.1904","0.0015","17.064","0.004","8.726","0.0019","90","","100.039","0.004","90","","1054.3","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H8 Cl2 O4 -","- C10 H8 Cl2 O4 -","- C40 H32 Cl8 O16 -","4","1","","Chaumont-Olive, Pauline; Maddaluno, Jacques; Harrison-Marchand, Anne","Total synthesis of spiromastilactone A.","Organic & biomolecular chemistry","2019","17","15","3819","3824","10.1039/c9ob00547a","","x-ray","0.71073","MoKα","","0.0501","0.0388","","","0.0986","0.1066","","","","","","1.039","","","","has coordinates","225239","2020-10-21","18:00:00",""
"7156739","12.4339","0.0019","19.941","0.003","12.721","0.0019","90","","96.173","0.003","90","","3135.8","0.8","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H49 N O4 Si2 -","- C26 H49 N O4 Si2 -","- C104 H196 N4 O16 Si8 -","4","1","","Chaumont-Olive, Pauline; Maddaluno, Jacques; Harrison-Marchand, Anne","Total synthesis of spiromastilactone A.","Organic & biomolecular chemistry","2019","17","15","3819","3824","10.1039/c9ob00547a","","x-ray","0.71073","MoKα","","0.1895","0.0786","","","0.1887","0.2425","","","","","","1.014","","","","has coordinates","225239","2020-10-21","18:00:00",""
"7157759","11.042","0.0005","8.8933","0.0005","16.9598","0.0012","90","","95.377","0.005","90","","1658.12","0.17","295","","295","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H18 Cl N O6 -","- C16 H18 Cl N O6 -","- C64 H72 Cl4 N4 O24 -","4","1","","Bakthadoss, Manickam; Mushaf, Mohammad","Intramolecular [3 + 2] nitrone cycloaddition reaction: highly regio and diastereoselective synthesis of bicyclo[3.2.1]octane scaffolds.","Organic & biomolecular chemistry","2020","18","47","9653","9659","10.1039/d0ob01960g","","","0.71073","MoKα","","0.0899","0.0582","","","0.1493","0.1771","","","","","","1.0578","","","","has coordinates","260814","2021-01-07","07:06:29",""
"7159283","15.7306","0.0009","14.9839","0.0008","7.2686","0.0005","90","","111.748","0.008","90","","1591.31","0.19","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-(3-methyl-4-nitroso-5-phenyl-1H-pyrazol-1-yl)quinoxalin-2-ol","","- C18 H13 N5 O2 -","- C18 H13 N5 O2 -","- C72 H52 N20 O8 -","4","1","","Bobrov, Pavel S.; Kirik, Sergei D.; Peterson, Ivan V.; Suboch, Georgii A.","Regioselective synthesis of novel nitroso-pyrazolylquinoxalines <i>via</i> HOAc-mediated cyclocondensation of 2-hydroxyimino-1,3-diketones with hydrazinylquinoxalines.","Organic & biomolecular chemistry","2023","21","17","3604","3614","10.1039/d3ob00356f","powder diffraction","","1.54184","CuKα","","","","","","","","","7.6","2.02","","","","","","","has coordinates","283436","2023-05-05","03:10:49",""
"7159355","11.7275","0.0007","35.321","0.002","12.2803","0.0006","90","","101.324","0.0019","90","","4987.8","0.5","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C49 H64 O10 S4 -","- C49.003 H64.009 O10 S4 -","- C196.012 H256.036 O40 S16 -","4","1","","Broftová, N; Landovský, T; Dvořáková, H; Eigner, V.; Krupička, M; Lhoták, P","Stereoselective oxidation of phenoxathiin-based thiacalix[4]arenes - stereomutation of sulfoxide groups.","Organic & biomolecular chemistry","2023","21","22","4620","4630","10.1039/d3ob00530e","","","0.71073","MoKα","","0.0512","0.0413","","0.104","0.0981","0.104","","","","","","1.03","","","","has coordinates,has disorder","284965","2023-07-05","10:54:10",""
"7200356","7.377","0.008","8.038","0.003","33.627","0.006","90","","95.6","0.04","90","","1984","2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C21 H20 Cl N4 O S -","- C21 H20 Cl N4 O S -","- C84 H80 Cl4 N16 O4 S4 -","4","1","","Portell, Anna; Barbas, Rafael; Font-Bardia, Mercè; Dalmases, Pere; Prohens, Rafel; Puigjaner, Cristina","Ziprasidone malate, a new trimorphic salt with improved aqueous solubility","CrystEngComm","2009","11","5","791","","10.1039/b813401d","","","0.71073","MoKα","","0.1451","0.0508","","","0.1441","0.2362","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200773","11.6222","0.0008","13.9067","0.0009","10.3985","0.0007","90","","102.513","0.001","90","","1640.75","0.19","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.065","0.0461","","","0.1213","0.139","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200774","11.6186","0.0009","13.9166","0.0011","10.419","0.0008","90","","102.484","0.002","90","","1644.8","0.2","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.0705","0.0491","","","0.1307","0.148","","","","","","1.031","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200775","11.6272","0.0008","13.9254","0.001","10.4577","0.0008","90","","102.408","0.001","90","","1653.7","0.2","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.0794","0.053","","","0.14","0.1601","","","","","","1.033","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200776","11.6561","0.0008","13.9147","0.001","10.5076","0.0008","90","","102.099","0.001","90","","1666.4","0.2","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.1008","0.0602","","","0.156","0.184","","","","","","1.032","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200777","11.7174","0.001","13.8685","0.0012","10.5133","0.0009","90","","101.625","0.002","90","","1673.4","0.2","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.1239","0.0667","","","0.156","0.1897","","","","","","1.027","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200778","11.8493","0.0009","13.8243","0.0011","10.4921","0.0008","90","","101.018","0.002","90","","1687","0.2","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.1488","0.0664","","","0.1443","0.1821","","","","","","1.026","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200779","11.8957","0.0011","13.8099","0.0013","10.4687","0.001","90","","100.865","0.002","90","","1689","0.3","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.1246","0.0497","","","0.1067","0.1408","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201049","15.993","0.002","14.382","0.002","20.73","0.003","90","","114.568","0.004","90","","4336.5","1","298","1","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C26 H16 Cl4 Fe O4 S14 Se4 -","- C26 H16 Cl4 Fe O4 S14 Se4 -","- C104 H64 Cl16 Fe4 O16 S56 Se16 -","4","1","","Shao, Xiangfeng; Yamaji, Yuhta; Fujiwara, Hideki; Sugimoto, Toyonari","Interconvertible bistability in magnetic organic conductors based on bent donor molecules, EDO-EDSe-TTFVS(O)","Journal of Materials Chemistry","2009","19","32","5837","","10.1039/b904061g","","","0.71075","MoKα","","","0.0445","","","","0.0546","","","","","","1.078","","","","has coordinates","282882","2023-04-27","15:29:05",""
"7201050","15.961","0.0006","14.0875","0.0006","20.2992","0.0007","90","","113.437","0.001","90","","4187.7","0.3","150.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C26 H16 Cl4 Fe O4 S14 Se4 -","- C26 H16 Cl4 Fe O4 S14 Se4 -","- C104 H64 Cl16 Fe4 O16 S56 Se16 -","4","1","","Shao, Xiangfeng; Yamaji, Yuhta; Fujiwara, Hideki; Sugimoto, Toyonari","Interconvertible bistability in magnetic organic conductors based on bent donor molecules, EDO-EDSe-TTFVS(O)","Journal of Materials Chemistry","2009","19","32","5837","","10.1039/b904061g","","","0.71075","MoKα","","","0.0379","","","","0.0452","","","","","","1.062","","","","has coordinates","282882","2023-04-27","15:29:05",""
"7201051","16.0581","0.0012","14.4343","0.0011","20.866","0.0017","90","","114.688","0.0017","90","","4394.4","0.6","298.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C26 H16 Cl4 Ga O4 S14 Se4 -","- C26 H16 Cl4 Ga O4 S14 Se4 -","- C104 H64 Cl16 Ga4 O16 S56 Se16 -","4","1","","Shao, Xiangfeng; Yamaji, Yuhta; Fujiwara, Hideki; Sugimoto, Toyonari","Interconvertible bistability in magnetic organic conductors based on bent donor molecules, EDO-EDSe-TTFVS(O)","Journal of Materials Chemistry","2009","19","32","5837","","10.1039/b904061g","","","0.71075","MoKα","","","0.0724","","","","0.1036","","","","","","1.143","","","","has coordinates","282882","2023-04-27","15:29:05",""
"7201052","15.9774","0.001","14.1318","0.0009","20.3734","0.0012","90","","113.461","0.0014","90","","4219.8","0.5","150.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C26 H16 Cl4 Ga O4 S14 Se4 -","- C26 H16 Cl4 Ga O4 S14 Se4 -","- C104 H64 Cl16 Ga4 O16 S56 Se16 -","4","1","","Shao, Xiangfeng; Yamaji, Yuhta; Fujiwara, Hideki; Sugimoto, Toyonari","Interconvertible bistability in magnetic organic conductors based on bent donor molecules, EDO-EDSe-TTFVS(O)","Journal of Materials Chemistry","2009","19","32","5837","","10.1039/b904061g","","","0.71075","MoKα","","","0.0416","","","","0.05","","","","","","1.076","","","","has coordinates","282882","2023-04-27","15:29:05",""
"7201327","10.091","0.003","24.04","0.003","11.305","0.002","90","","94.129","0.019","90","","2735.3","1","295.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H20 Cl3 O5 P S -","- C30 H20 Cl3 O5 P S -","- C120 H80 Cl12 O20 P4 S4 -","4","1","","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","A new anionic acceptor, 2-sulfo-3,5,6-trichloro-1,4-benzoquinone and its charge-transfer salts","CrystEngComm","2009","11","12","2588","","10.1039/b909519e","","","0.71069","MoKα","","","0.0482","","","","0.0601","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201672","8.31089","0.00009","12.15064","0.00012","8.06761","0.00009","90","","106.723","0.0008","90","","780.234","0.015","297","1","297","","","","","","","","see text","4","P 1 21/a 1","-P 2yab","14","","bis(3-acetyl-2,4-pentandionato-O2,O3)magnesium(II)","","- C14 H18 Mg O6 -","- C14 H18 Mg O6 -","- C28 H36 Mg2 O12 -","2","0.5","","Többens, Daniel M.; Hummel, Michael; Kaindl, Reinhard; Schottenberger, Herwig; Kahlenberg, Volker","Novel linear acetylpentanedionato complexes for metal‒organic framework construction","CrystEngComm","2008","10","3","327","","10.1039/b712539a","powder diffraction","","","CuKα","","","","","","","","","4.2413","","","","","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201756","7.1988","0.0003","12.7677","0.0005","14.9468","0.0007","90","","91.702","0.003","90","","1373.19","0.1","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","7-Fluoroisatin Form III","7-Fluoroisatin Form III","","- C8 H4 F N O2 -","- C8 H4 F N O2 -","- C64 H32 F8 N8 O16 -","8","2","","Mohamed, Sharmarke; Barnett, Sarah A.; Tocher, Derek A.; Price, Sarah L.; Shankland, Kenneth; Leech, Charlotte K.","Discovery of three polymorphs of 7-fluoroisatin reveals challenges in using computational crystal structure prediction as a complement to experimental screening","CrystEngComm","2008","","","","","10.1039/b714566g","","","0.71073","MoKα","","0.1265","0.0787","","","0.1514","0.1757","","","","","","1.168","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201785","14.9227","0.0011","4.41484","0.00007","10.3539","0.0003","90","","105.55","0.003","90","","657.16","0.05","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","p-azoxyanisole form II","","","?","- C14 H14 N2 O3 -","- C28 H28 N4 O6 -","2","0.5","","Janbon, Sophie; Davey, Roger J.; Shankland, Kenneth","The crystal structure of a metastable polymorph of para-azoxyanisole","CrystEngComm","2008","10","3","279","","10.1039/b715934j","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201826","13.7062","0.0005","21.5592","0.0008","22.5411","0.0008","90","","94.493","0.002","90","","6640.3","0.4","193","2","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H33 Cl6 N S Sb -","- C32 H33 Cl6 N S Sb -","- C256 H264 Cl48 N8 S8 Sb8 -","8","2","","Oka, Hiroyuki","Synthesis and through-bond spin interaction of stable 1,3-phenylene linked poly(phenothiazine cation radical)","Journal of Materials Chemistry","2008","18","16","1927","","10.1039/b716919a","","","0.7107","MoKα","","0.059","0.0526","","","0.1083","0.1113","","","","","","1.17","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7201886","12.3702","0.0018","14.102","0.003","13.0089","0.0014","90","","108.853","0.009","90","","2147.6","0.6","298","2","298","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C23 H28 O6 -","- C23 H28 O6 -","- C92 H112 O24 -","4","1","","Sureshan, Kana M.; Uchimaru, Tadafumi; Yao, Yonghui; Watanabe, Yutaka","Strength from weakness: CH⋯π stabilized conformational tuning of benzyl ethers and a consequent co-operative edge-to-face CH⋯π network","CrystEngComm","2008","10","5","493","","10.1039/b718099c","","","1.54178","CuKα","","0.0606","0.0458","","","0.1183","0.128","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201919","13.175","0.003","10.498","0.002","16.82","0.005","90","","108.91","0.02","90","","2200.8","1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H34 Cl2 N2 O4 Zn -","- C18 H34 Cl2 N2 O4 Zn -","- C72 H136 Cl8 N8 O16 Zn4 -","4","1","","Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Brescello, Roberto; Cotarca, Livius","Simple and quantitative mechanochemical preparation of the first zinc and copper complexes of the neuroleptic drug gabapentin","CrystEngComm","2008","10","5","469","","10.1039/b719451j","","","0.71073","MoKα","","0.0651","0.0311","","","0.075","0.0861","","","","","","1.028","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201920","11.865","0.006","6.75","0.004","15.109","0.009","90","","112.87","0.02","90","","1114.9","1.1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H34 Cl2 Cu N2 O4 -","- C18 H34 Cl2 Cu N2 O4 -","- C36 H68 Cl4 Cu2 N4 O8 -","2","0.5","","Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Brescello, Roberto; Cotarca, Livius","Simple and quantitative mechanochemical preparation of the first zinc and copper complexes of the neuroleptic drug gabapentin","CrystEngComm","2008","10","5","469","","10.1039/b719451j","","","0.71073","MoKα","","0.1101","0.0601","","","0.1586","0.1838","","","","","","0.98","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7202536","14.178","0.006","14.05","0.03","15.909","0.005","90","","93.62","0.03","90","","3163","7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H15 N S -","- C20 H15 N S -","- C160 H120 N8 S8 -","8","2","","McKeown, Neil B.; Badriya, Samer; Helliwell, Madeleine; Shkunov, Maxim","The synthesis of robust, polymeric hole-transport materials from oligoarylamine substituted styrenes","Journal of Materials Chemistry","2007","17","20","2088","","10.1039/b614235d","","","0.71069","MoKα","","0.0687","0.0568","","","0.1631","0.1734","","","","","","1.061","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202726","9.242","0.004","5.718","0.0011","18.205","0.006","90","","100.06","0.03","90","","947.3","0.6","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","5,5'-bis(4-ethylphenyl)-2,2'-bithiophene","5,5'-bis(4-ethylphenyl)-2,2'-bithiophene","","- C24 H22 S2 -","- C24 H22 S2 -","- C48 H44 S4 -","2","0.5","","Stokes, Melissa A.; Kortan, Refik; Amy, Sandrine Rivillon; Katz, Howard E.; Chabal, Yves J.; Kloc, Christian; Siegrist, Theo","Molecular ordering in bis(phenylenyl)bithiophenes","Journal of Materials Chemistry","2007","17","32","3427","","10.1039/b701035d","","","0.71073","MoKα","","0.1888","0.0418","","0.1943","0.0826","0.1943","","","","","","0.9467","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202729","9.109","0.002","5.7272","0.0007","18.159","0.004","90","","101.54","0.02","90","","928.2","0.3","120","","120","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","5,5'-bis(4-ethylphenyl)-2,2'-bithiophene","5,5'-bis(4-ethylphenyl)-2,2'-bithiophene","","- C24 H22 S2 -","- C24 H22 S2 -","- C48 H44 S4 -","2","0.5","","Stokes, Melissa A.; Kortan, Refik; Amy, Sandrine Rivillon; Katz, Howard E.; Chabal, Yves J.; Kloc, Christian; Siegrist, Theo","Molecular ordering in bis(phenylenyl)bithiophenes","Journal of Materials Chemistry","2007","17","32","3427","","10.1039/b701035d","","","0.71073","MoKα","","0.171","0.0824","","0.342","0.0505","0.0505","","","","","","1.0829","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202909","11.5009","0.0008","9.8934","0.0005","14.9322","0.0011","90","","112.168","0.001","90","","1573.44","0.18","173","2","173","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C80 H96 O8 -","4","1","","Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio; Kato, Masako; Csöregh, Ingeborg","A new organic zeolite created by molecular aggregation of 1,1-bis(3,4-dihydroxyphenyl)cyclohexane in the solid state","CrystEngComm","2007","9","9","786","","10.1039/b705163h","","","0.7107","MoKα","","0.0425","0.0389","","","0.091","0.0939","","","","","","1.074","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202910","10.146","0.002","17.455","0.002","12.088","0.002","90","","110.9","0.02","90","","1999.9","0.6","298","2","298","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","1,1-bis(cathecolyl)cyclohexane.benzene (1:1) complex","1,1-bis(cathecolyl)cyclohexane.benzene (1:1) complex","","- C24 H26 O4 -","- C24 H25.364 O4 -","- C96 H101.456 O16 -","4","1","","Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio; Kato, Masako; Csöregh, Ingeborg","A new organic zeolite created by molecular aggregation of 1,1-bis(3,4-dihydroxyphenyl)cyclohexane in the solid state","CrystEngComm","2007","9","9","786","","10.1039/b705163h","","","0.71073","MoKα","","0.0915","0.0532","","","0.1282","0.1452","","","","","","0.937","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202978","9.873","0.002","10.671","0.002","10.578","0.002","90","","104.58","0.03","90","","1078.6","0.4","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","3,3'-dinitro-2,2'-bipyridine-1-oxide","3,3'-dinitro-2,2'-bipyridine-1-oxide","","- C10 H6 N4 O5 -","- C10 H6 N4 O5 -","- C40 H24 N16 O20 -","4","1","","O'Leary, Jane; Wallis, John D.","A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides","CrystEngComm","2007","9","10","941","","10.1039/b707822f","","","0.71073","MoKα","","0.0677","0.0462","","","0.1145","0.1228","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202980","8.167","0.0003","13.4699","0.0006","11.3597","0.0006","90","","94.7505","0.0016","90","","1245.37","0.1","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","5,5'-dimethyl-2,2'-bipyridine-1-oxide","5,5'-dimethyl-2,2'-bipyridine-1-oxide","","- C12 H10 N4 O5 -","- C12 H10 N4 O5 -","- C48 H40 N16 O20 -","4","1","","O'Leary, Jane; Wallis, John D.","A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides","CrystEngComm","2007","9","10","941","","10.1039/b707822f","","","0.71073","MoKα","","0.082","0.0507","","","0.1352","0.1478","","","","","","0.943","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7203357","9.454","0.005","4.905","0.005","15.495","0.005","90","","102.564","0.005","90","","701.3","0.8","173","2","173","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Copper Dimandelate","","","- C16 H14 Cu O6 -","- C16 H14 Cu O6 -","- C32 H28 Cu2 O12 -","2","0.5","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.71069","MoKα","","0.1293","0.0817","","","0.1216","0.1349","","","","","","1.16","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203388","7.925","0.005","10.643","0.006","13.886","0.008","90","","99.478","0.008","90","","1155.2","1.2","193.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 F3 N O2 -","- C12 H10 F3 N O2 -","- C48 H40 F12 N4 O8 -","4","1","","Kayaki, Yoshihito; Yamamoto, Masafumi; Suzuki, Tomoyuki; Ikariya, Takao","Carboxylative cyclization of propargylamines with supercritical carbon dioxide","Green Chemistry","2006","8","12","1019","","10.1039/b603700c","","","0.7107","MoKα","","","0.055","","","","0.162","","","","","","0.947","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203654","11.094","0.0002","10.685","0.0002","12.71","0.0003","90","","102.954","0.001","90","","1468.29","0.05","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H19 N3 O4 S -","- C13 H19 N3 O4 S -","- C52 H76 N12 O16 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.0573","0.0382","","","0.0885","0.0973","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203823","13.848","0.016","9.052","0.012","17.146","0.021","90","","114.32","0.01","90","","1959","4","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H20 O2 -","- C26 H20 O2 -","- C104 H80 O8 -","4","1","","Pedro D. Vaz; Mariela Nolasco; Nelson Fonseca; Ana M. Amado; António M. Amorim da Costa; Vitor Félix; Michael G. B. Drew; Brian J. Goodfellow; Paulo J. A. Ribeiro-Claro","C-H...O hydrogen bonding in 4-phenyl-benzaldehyde: a comprehensive crystallographic, spectroscopic and computational study.","Physical chemistry chemical physics : PCCP","2005","7","16","3027","3034","10.1039/b506834g","","","0.71073","MoKα","","0.2263","0.1055","","","0.2608","0.3264","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203851","17.123","0.004","9.373","0.003","18.019","0.004","90","","107.43","0.02","90","","2759.2","1.3","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H30 Au2 S6 W2 -","- C20 H30 Au2 S6 W2 -","- C80 H120 Au8 S24 W8 -","4","1","","Lang, Jian-Ping; Yu, Hong; Ji, Shun-Jun; Sun, Zhen-Rong","Synthesis, crystal structure and third-order nonlinear optical (NLO) properties of a novel tetranuclear organometallic cluster [(?5?C5Me5)WS3Au]2","Physical Chemistry Chemical Physics","2003","5","22","5127","","10.1039/b308806e","","","0.7107","MoKα","","","0.0476","","","","0.0514","","","","","","1.552","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203950","10.453","0.004","23.017","0.009","12.223","0.003","90","","102.83","0.03","90","","2867.4","1.8","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C120 H208 O24 -","8","2","","Muri, Estela; Kanazawa, Alice; Barreiro, Eliezer; Greene, Andrew E.","Asymmetric synthesis of 3β-angeloyloxy-4β-hydroxyeudesman-8-one, purported sesquiterpene from Pluchea quitoc †","Journal of the Chemical Society, Perkin Transactions 1","2000","","5","731","","10.1039/a909112b","","","0.7107","MoKα","","0.0627","0.0627","","0.0595","","0.0595","","","2.663","","","2.663","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7203974","19.503","0.004","10.841","0.003","24.137","0.005","90","","97.13","0.03","90","","5064","2","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","TBA[Ni(fcvdt)2](COMe2)0.5","","","- C45.5 H59 Fe2 N Ni O0.5 S8 -","- C45.5 H56 Fe2 N Ni O0.5 S8 -","- C182 H224 Fe8 N4 Ni4 O2 S32 -","4","1","","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","","0.0793","0.0772","","","0.1971","0.2003","","","","","","1.09","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204004","20.944","0.005","9.861","0.002","9.404","0.002","90","","95.61","0.02","90","","1932.9","0.7","296.2","","296.2","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C11 H11 B F4 N O S8 -","- C11 H7 B F4 N O S8 -","- C44 H28 B4 F16 N4 O4 S32 -","4","1","","Ono, Go; Terao, Hiroshi; Higuchi, Saburo; Sugawara, Tadashi; Izuoka, Akira; Mochida, Tomoyuki","One-dimensional double chain composed of carbamoylmethylthio-substituted TTF-based donor in ion radical salt","Journal of Materials Chemistry","2000","10","10","2277","","10.1039/b004557h","","","0.7107","MoKα","","","0.0557","","","0.0884","","","","","1.695","1.695","","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204085","7.1341","0.0009","15.305","0.002","15.559","0.002","90","","90.138","0.008","90","","1698.8","0.4","173","0.2","173","0.2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H19 B N2 -","- C22 H19 B N2 -","- C88 H76 B4 N8 -","4","1","","Kiviniemi, Sari; Nissinen, Maija; Alaviuhkola, Terhi; Rissanen, Kari; Pursiainen, Jouni","The complexation of tetraphenylborate with organic N-heteroaromatic cations","Journal of the Chemical Society, Perkin Transactions 2","2001","","12","2364","","10.1039/b100775k","","","0.71073","MoKα","","0.1049","0.0751","","","0.1622","0.1781","","","","","","1.153","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204131","10.16","0.007","13.851","0.003","13.678","0.001","90","0","96.57","0.02","90","0","1912.2","1.4","295","2","","","","","","","","","Local laboratory","5","P 1 21/a 1","-P 2yab","14","","","","?","- C32 H32 N4 Ni0.5 S14 -","- C64 H64 N8 Ni S28 -","2","0.5","","Yamochi, Hideki; Sogoshi, Norihito; Simizu, Yasuhiro; Saito, Gunzi; Matsumoto, Kiyoshi","The crystal and electronic structure analysis of (OMTTF)2[Ni(tdas)2]","Journal of Materials Chemistry","2001","11","9","2216","","10.1039/b101909k","","","0.71073","MoK-alpha","","","0.055","","","","","","","","2.73","2.73","","","","","has coordinates","180372","2020-10-21","18:00:00",""
"7204156","8.359","0.005","13.505","0.004","9.538","0.004","90","","111.74","0.03","90","","1000.1","0.8","150","2","150","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","dineopentyl 2,3-diethylbutanedioate","","- C18 H34 O4 -","- C18 H34 O4 -","- C36 H68 O8 -","2","0.5","","John R. Lindsay Smith; Eiji Nagatomi; Angela Stead; David J. Waddington","The autoxidation of aliphatic esters. Part 3. The reactions of alkoxyl and methyl radicals, from the thermolysis and photolysis of peroxides, with neopentyl esters","J. Chem. Soc., Perkin Trans. 2","2001","","9","1527","1533","10.1039/b103555j","","","0.71069","MoKα","","0.0725","0.04","","","0.1047","0.1209","","","","","","1.021","","","","has coordinates","180372","2020-10-21","18:00:00",""
"7204245","12.719","0.006","19.14","0.01","11.106","0.007","90","","102.55","0.05","90","","2639","3","295.2","","295.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H18 O2 S -","- C14 H17 O2 S -","- C112 H136 O16 S8 -","8","2","","Loughlin, Wendy A.; Rowen, Catherine C.; Healy, Peter C.","Investigations into the reaction of the lithium enolate of cyclohexanone and phenyl vinyl sulfoxide: A simple synthesis of a bicyclo[4.2.0]octan-1-ol","Journal of the Chemical Society, Perkin Transactions 2","2002","","2","296","","10.1039/b107705h","","","0.7107","MoKα","","0.2982","0.072","","0.097","","0.073","","","1.399","","","2.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204246","12.774","0.002","9.135","0.002","11.388","0.002","90","","104.79","0.01","90","","1284.8","0.4","295.2","","295.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H18 O2 S -","- C14 H18 O2 S -","- C56 H72 O8 S4 -","4","1","","Loughlin, Wendy A.; Rowen, Catherine C.; Healy, Peter C.","Investigations into the reaction of the lithium enolate of cyclohexanone and phenyl vinyl sulfoxide: A simple synthesis of a bicyclo[4.2.0]octan-1-ol","Journal of the Chemical Society, Perkin Transactions 2","2002","","2","296","","10.1039/b107705h","","","0.7107","MoKα","","0.0653","0.046","","0.057","","0.055","","","2.004","","","2.24","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204249","9.4955","0.0001","27.5691","0.0003","17.9795","0.0002","90","","92.8582","0.0008","90","","4700.86","0.09","293","","293","","","","","","","","?","3","P 1 21/a 1","-P 2yab","14","","","","- C58 H38 N14 -","- C29 H19 N7 -","- C232 H152 N56 -","8","2","","Heirtzler, Fenton; Neuburger, Markus; Kulike, Klaus","Insights on the synthesis and organisational phenomena of twisted pyrazine‒pyridine hybrids","Journal of the Chemical Society, Perkin Transactions 1","2002","","6","809","","10.1039/b107751a","","","0.71073","MoKα","","","0.0522","","","0.0805","","","","","0.8836","0.8836","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204404","13.536","0.002","7.787","0.001","14.769","0.002","90","","97.62","0.01","90","","1543","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H11 Cl3 N2 O3 -","- C14 H11 Cl3 N2 O3 -","- C56 H44 Cl12 N8 O12 -","4","1","","Sam, Najat; Elkadiri, Sghir; Bozec, Hubert Le; Toupet, Loic; Daoudi, Maria; Bitit, Najib; Hadda, Taibi Ben; Dixneuf, Pierre H.","Novel trichloroindolizine derivatives via intramolecular acylation of a bis(chloroacyl)bipyridine","Journal of the Chemical Society, Perkin Transactions 1","2002","","14","1688","","10.1039/b202616n","","","0.71069","MoKα","","0.0937","0.0569","","","0.1525","0.1699","","","","","","1.094","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204469","7.171","0.013","17.69","0.03","8.092","0.014","90","","117.774","0.01","90","","908","3","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Samantha D. M. Atkinson (née Allen); Matthew J. Almond; Graham A. Bowmaker; Michael G. B. Drew; Emma J. Feltham; Peter Hollins; Samantha L. Jenkins; Karen S. Wiltshire","The photodimerisation of the chloro-, methoxy- and nitro-derivatives of trans-cinnamic acid: a study of single crystals by vibrational microspectroscopy","J. Chem. Soc., Perkin Trans. 2","2002","","9","1533","1537","10.1039/b205116h","","","0.71073","MoKα","","0.1824","0.084","","","0.2252","0.2734","","","","","","0.952","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204478","11.229","","15.668","","12.587","","90","","108.23","","90","","2103.36","","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","2-(4-fluorophenyl)-(3'-nitrobenzo[d])-(4''-diethylaminobenzo[h])-1,3-dioxa-6-aza-2-boracyclonon-6-ene","","- C23 H21 B F N3 O4 -","- C23 H21 B F N3 O4 -","- C92 H84 B4 F4 N12 O16 -","4","1","","Horacio Reyes; Blanca M. Muñoz; Norberto Farfán; Rosa Santillan; Susana Rojas-Lima; Pascal G. Lacroix; Keitaro Nakatani","Synthesis, crystal structures, and quadratic nonlinear optical properties in a series of push‒pull boronate derivatives","J. Mater. Chem.","2002","12","10","2898","2903","10.1039/b205308j","","x-ray","0.71073","MoKα","","0.1578","0.0502","","","0.1249","0.1641","","","","","","1.059","","","","has coordinates","194582","2020-10-21","18:00:00",""
"7204479","11.27","0.03","16.565","0.009","12.27","0.012","90","0.06","107.45","0.04","90","0.09","2185","6","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","2-(4-Bromophenyl)-(3'-nitrobenzo[d])-(4''-diethylaminobenzo[h])-1,3-dioxa-6-aza-2-boracyclonon-6-ene","","- C23 H21 B Br N3 O4 -","- C23 H21 B Br N3 O4 -","- C92 H84 B4 Br4 N12 O16 -","4","1","","Horacio Reyes; Blanca M. Muñoz; Norberto Farfán; Rosa Santillan; Susana Rojas-Lima; Pascal G. Lacroix; Keitaro Nakatani","Synthesis, crystal structures, and quadratic nonlinear optical properties in a series of push‒pull boronate derivatives","J. Mater. Chem.","2002","12","10","2898","2903","10.1039/b205308j","","x-ray","0.71073","MoKα","","0.1605","0.0431","","","0.1111","0.1524","","","","","","0.973","","","","has coordinates","194582","2020-10-21","18:00:00",""
"7204512","10.4382","0.0003","10.2875","0.0004","11.4036","0.0005","90","","109.859","0.002","90","","1151.73","0.08","200","","200","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H7 Cl2 N O3 -","- C11 H7 Cl2 N O3 -","- C44 H28 Cl8 N4 O12 -","4","1","","Lee, Connie K. Y.; Easton, Christopher J.; Gebara-Coghlan, Mariana; Radom, Leo; Scott, Anthony P.; Simpson, Gregory W.; Willis, Anthony C.","Substituent effects in isoxazoles: identification of 4-substituted isoxazoles as Michael acceptors","Journal of the Chemical Society, Perkin Transactions 2","2002","","12","2031","","10.1039/b207808b","","","0.7107","MoKα","","0.058","0.0334","","0.0436","","0.0376","","","0.845","","","0.927","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204524","12.524","0.002","11.088","0.003","12.935","0.002","90","","99.75","0.02","90","","1770.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H17 N3 O2 S -","- C20 H17 N3 O2 S -","- C80 H68 N12 O8 S4 -","4","1","","Butler, Richard N.; Smyth, Georgina M.; McArdle, Patrick; Cunningham, Desmond","A new tricyclic ring and a nitrogen???sulfur analogue of the tri-pentagon bowl: cycloaddition reactions of the unstablised 1,3,4-thiadiazolium-3-methanide 1,3-dipole: steric influences on the endo-effect: substituted pyrrolo[2,1-b]-1,3,4-thiadiazole systems: azolium 1,3-dipoles","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2851","","10.1039/b208544p","","","0.71069","MoKα","","0.1254","0.0422","","","0.0859","0.1022","","","","","","0.877","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204545","5.965","0.001","8.956","0.002","10.292","0.002","90","","91.51","0.02","90","","549.63","0.19","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C5 H7 Ag O2 -","- C5 H7 Ag O2 -","- C20 H28 Ag4 O8 -","4","1","","Edwards, Dennis A.; Mahon, Mary F.; Molloy, Kieran C.; Ogrodnik, Virginie","Aerosol-assisted chemical vapour deposition of silver films from adducts of functionalised silver carboxylates","Journal of Materials Chemistry","2003","13","3","563","","10.1039/b210085c","","","0.7093","","","0.04","0.0357","","0.1024","0.0947","","","","1.154","1.159","1.159","","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204582","12.284","0.004","12.657","0.005","10.953","0.004","90","","111.72","0.02","90","","1582.1","1","298.2","","298.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","4-(1'-pyrrolyl)phenylNN","","","- C17 H20 N3 O2 -","- C17 H20 N3 O2 -","- C68 H80 N12 O8 -","4","1","","Jotaro Nakazaki; InGwon Chung; Michio M. Matsushita; Tadashi Sugawara; Ryoji Watanabe; Akira Izuoka; Yuzo Kawada","Design and preparation of pyrrole-based spin-polarized donors","J. Mater. Chem.","2003","13","5","1011","1022","10.1039/b211986b","","","0.71069","MoKα","","0.1775","0.0588","","","0.1097","0.1276","","","","","","0.855","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204658","9.461","0.0008","8.3565","0.0007","9.477","0.001","90","","99.908","0.009","90","","738.08","0.12","293","","293","","","","","","","","synthesis described in paper","5","P 1 21/a 1","-P 2yab","14","","ammonium manganese(II) pyrophosphate hydrate","","- H12 Mn3 N2 O16 P4 -","- H12 Mn3 N2 O16 P4 -","- H24 Mn6 N4 O32 P8 -","2","0.5","","Chippindale, Ann M.; Gaslain, Fabrice O. M.; Bond, Andrew D.; Powell, Anthony V.","Synthesis, structure and magnetic characterisation of a new layered ammonium manganese(ii) diphosphate hydrate, (NH4)2[Mn3(P2O7)2(H2O)2]Electronic supplementary information (ESI) available: powder XRD data, atomic coordinates and thermal parameters, IR data, bond valence calculations, TGA. See http://www.rsc.org/suppdata/jm/b3/b304003h/","Journal of Materials Chemistry","2003","13","8","1950","","10.1039/b304003h","","","1.5418","CuKα","","","0.0351","","","","0.0411","","","","","","1.1285","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204765","11.679","0.007","7.704","0.002","16.835","0.004","90","","93.35","0.04","90","","1512.1","1.1","294","","294","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C32 H24 N2 O4 S6 -","- C32 H24 N2 O4 S6 -","- C64 H48 N4 O8 S12 -","2","0.5","","Bruno Jousselme; Philippe Blanchard; Maïtena Oçafrain; Magali Allain; Eric Levillain; Jean Roncali","Electrogenerated poly(thiophenes) derivatized by bipyridine ligands and metal complexes","J. Mater. Chem.","2004","14","3","421","427","10.1039/b313291a","","","0.71073","Mo-Kα","","0.076","0.04","","0.072","0.056","","","","1.431","1.179","1.179","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204923","27.99","0.003","7.946","0.002","13.357","0.001","90","","103.415","0.009","90","","2889.7","0.8","297","","297","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C52 H36 As F6 N4 O S18 -","- C52 H36 As0.5 F6 N4 O S18 -","- C104 H72 As F12 N8 O2 S36 -","2","0.5","","Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro","Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]","Journal of Materials Chemistry","2000","10","12","2716","","10.1039/b002904l","","","0.7107","MoKα","","","0.062","","","0.073","","","","","1.728","1.728","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204925","27.78","0.01","7.826","0.001","13.346","0.003","90","","101.99","0.02","90","","2838.2","1.3","300","","300","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C52 H36 B F4 N4 O S18 -","- C52 H36 B0.5 F4 N4 O S18 -","- C104 H72 B F8 N8 O2 S36 -","2","0.5","","Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro","Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]","Journal of Materials Chemistry","2000","10","12","2716","","10.1039/b002904l","","","0.7107","MoKα","","","0.105","","","7654360","","","","","194189","194189","","","","","has coordinates","195719","2020-10-21","18:00:00",""
"7204926","27.866","0.001","7.926","0.001","13.3035","0.0006","90","","103.59","0.004","90","","2856","0.4","297","","297","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C52 H34 F6 N4 O P S18 -","- C52 H36 F6 N4 O P0.5 S18 -","- C104 H72 F12 N8 O2 P S36 -","2","0.5","","Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro","Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]","Journal of Materials Chemistry","2000","10","12","2716","","10.1039/b002904l","","","0.7107","MoKα","","","0.0773","","","0.1034","","","","","2.455","2.455","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204927","27.879","0.005","7.954","0.006","13.337","0.002","90","","103.61","0.01","90","","2874","2","296","","296","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C51 H34 F6 N4 O2 P S18 -","- C50 H36 F6 N4 O P0.5 S18 -","- C100 H72 F12 N8 O2 P S36 -","2","0.5","","Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro","Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]","Journal of Materials Chemistry","2000","10","12","2716","","10.1039/b002904l","","","0.7107","MoKα","","","0.0952","","","0.1175","","","","","2.344","2.344","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204928","27.665","0.002","7.781","0.002","13.3065","0.0007","90","","103.709","0.005","90","","2782.8","0.8","100","","100","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C52 H36 F6 N4 O P S18 -","- C52 H36 F6 N4 O2 P0.5 S18 -","- C104 H72 F12 N8 O4 P S36 -","2","0.5","","Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro","Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]","Journal of Materials Chemistry","2000","10","12","2716","","10.1039/b002904l","","","0.7107","MoKα","","","0.0752","","","0.0929","","","","","2.812","2.812","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204929","27.972","0.003","7.934","0.002","13.366","0.001","90","","102.931","0.008","90","","2891.1","0.8","297","","297","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C52 H34 F6 N4 O P S18 -","- C52 H36 F6 N4 O P0.5 S18 -","- C104 H72 F12 N8 O2 P S36 -","2","0.5","","Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro","Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]","Journal of Materials Chemistry","2000","10","12","2716","","10.1039/b002904l","","","0.7107","MoKα","","","0.0783","","","0.1031","","","","","2.132","2.132","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204930","27.712","0.002","7.787","0.002","13.3297","0.0009","90","","103.888","0.006","90","","2792.4","0.8","75","","75","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C52 H36 As F6 N4 O S18 -","- C52 H36 As0.5 F6 N4 O S18 -","- C104 H72 As F12 N8 O2 S36 -","2","0.5","","Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro","Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]","Journal of Materials Chemistry","2000","10","12","2716","","10.1039/b002904l","","","0.7107","MoKα","","","0.0702","","","0.0925","","","","","2.283","2.283","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204948","10.0083","0.0009","10.14","0.001","10.569","0.002","90","","93.89","0.01","90","","1070.1","0.2","293","","293","","","","","","","","Hydrothermal synthezis","5","P 1 21/a 1","-P 2yab","14","","Lead Vanadium(V) Monophosphate Hydrate","","- H4 O14 P2 Pb2 V2 -","- O14 P2 Pb2 V2 -","- O56 P8 Pb8 V8 -","4","1","","Leclaire, Andre; Chardon, Josiane; Raveau, Bernard","Hydrothermal synthesis and crystal structure of a lead vanadium monophosphate hydrate with an open structure: Pb2V2O4(PO4)2·2H2O","Journal of Materials Chemistry","2001","11","5","1482","","10.1039/b009367j","","","0.71073","xray_tube","","","0.0285","","","","0.0239","","","","","","1.341","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205003","11.628","0.013","11.417","0.012","14.112","0.015","90","","101.4","0.01","90","","1837","3","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H22 O7 -","- C18 H22 O7 -","- C72 H88 O28 -","4","1","","Al-Busafi, Saleh; Doncaster, Jeremy R.; Drew, Michael G. B.; Regan, Andrew C.; Whitehead, Roger C.","Exploitation of chemical predisposition in synthesis: an approach to the manzamenones","Journal of the Chemical Society, Perkin Transactions 1","2002","","4","476","","10.1039/b110829h","","","0.71073","MoKα","","0.1905","0.0897","","","0.2198","0.2623","","","","","","0.852","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205599","9.982","0.005","14.264","0.006","14.747","0.007","90","","101.191","0.007","90","","2059.8","1.7","223","2","223","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C36 H32 Cl2 N4 O8 S8 Zn -","- C36 H32 Cl2 N4 O8 S8 Zn -","- C72 H64 Cl4 N8 O16 S16 Zn2 -","2","0.5","","Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie","Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties","CrystEngComm","2011","13","7","2521","","10.1039/c0ce00424c","","","0.71075","MoKα","","0.1106","0.0782","","","0.153","0.1708","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206388","8.248","0.0003","23.4817","0.0007","9.0521","0.0003","90","","94.551","0.0016","90","","1747.66","0.1","296.1","","296.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H50 N6 O2 -","- C36 H50 N6 O2 -","- C72 H100 N12 O4 -","2","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0527","","","","0.0794","","","","","","1.214","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206786","18.0736","0.0005","6.149","0.0002","23.5057","0.0006","90","","97.344","0.001","90","","2590.87","0.13","123","2","123","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C16 H22 Br2 Cl6 N4 O4 -","- C16 H22 Br2 Cl6 N4 O4 -","- C64 H88 Br8 Cl24 N16 O16 -","4","1","","Raatikainen, Kari; Rissanen, Kari","Interaction between amines and N-haloimides: a new motif for unprecedentedly short Br⋯N and I⋯N halogen bonds","CrystEngComm","2011","13","23","6972","","10.1039/c1ce05447c","","x-ray","0.71073","MoKα","","0.0494","0.0338","","","0.0728","0.0787","","","","","","1.035","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7207237","14.897","0.009","5.819","0.003","17.441","0.01","90","","107.581","0.006","90","","1441.3","1.4","117","2","117","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Cu2 N6 O6 -","- C10 H10 Cu2 N6 O6 -","- C40 H40 Cu8 N24 O24 -","4","1","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents","CrystEngComm","2012","14","4","1345","","10.1039/c1ce06328f","","","0.71073","MoKα","","0.0434","0.0317","","","0.0686","0.0718","","","","","","1.099","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207744","20.403","0.008","26.51","0.01","30.721","0.004","90","","99.49","0.02","90","","16389","9","150","2","150","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","MOLTECH ANJOU UMR CNRS 6200 2, bd Lavoisier 49045 Angers cedex France","MOLTECH ANJOU UMR CNRS 6200 2, bd Lavoisier 49045 Angers cedex France","","- C108 H180 Ag3 Cl3 Fe3 N9 O68 P18 -","- C108 H180 Ag3 Cl3 Fe3 N9 O68 P18 -","- C432 H720 Ag12 Cl12 Fe12 N36 O272 P72 -","4","1","","Maxim, Catalin; Branzea, Diana; Allain, Magali; Andruh, Marius; Clérac, Rodolphe; Iorga, Bogdan I.; Avarvari, Narcis","Cyanomethylene-bis(phosphonate) as ditopical ligand: stepwise formation of a 2-D heterometallic Fe(iii)‒Ag(i) coordination network","CrystEngComm","2012","14","9","3096","","10.1039/c2ce06261e","","","0.71073","MoKα","","0.3343","0.1041","","","0.1867","0.2684","","","","","","1.018","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207981","11.4823","0.0005","13.8691","0.0007","11.8073","0.0006","90","","113.293","0.0014","90","","1727.04","0.15","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H11 O8 S4 -","- C14 H11 O8 S4 -","- C56 H44 O32 S16 -","4","1","","Jayanty, Subbalakshmi; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Hydrogen-bonded maleate counter anions in tetrathiafulvalene crystals","CrystEngComm","2012","14","11","3875","","10.1039/c2ce25050k","","","0.71075","MoKα","","","0.0238","","","","0.0623","","","","","","1.055","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207983","12.084","0.003","20.891","0.004","15.674","0.004","90","","103.294","0.01","90","","3850.8","1.6","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C60 H41 O12 S32 -","- C60 H38 O12 S32 -","- C120 H76 O24 S64 -","2","0.5","","Jayanty, Subbalakshmi; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Hydrogen-bonded maleate counter anions in tetrathiafulvalene crystals","CrystEngComm","2012","14","11","3875","","10.1039/c2ce25050k","","","0.71075","MoKα","","","0.0319","","","","0.0815","","","","","","1.041","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7208147","7.3261","0.0002","29.785","0.0009","9.8773","0.0003","90","","109.281","0.0016","90","","2034.41","0.11","120","","120","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H23 N4 O -","- C26 H23 N4 O -","- C104 H92 N16 O4 -","4","1","","Borozdina, Yulia B.; Kamm, Valentin; Laquai, Frédéric; Baumgarten, Martin","Tuning the sensitivity of fluorophore‒nitroxide radicals","Journal of Materials Chemistry","2012","22","26","13260","","10.1039/c2jm31390a","","","0.71073","MoKα","","0.0968","0.0508","","0.0672","0.0627","0.0627","","","","","","1.0905","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208148","7.4598","0.0002","29.3972","0.0009","10.0132","0.0003","90","","109.821","0.0016","90","","2065.78","0.11","120","","120","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H23 N4 O2 -","- C26 H23 N4 O2 -","- C104 H92 N16 O8 -","4","1","","Borozdina, Yulia B.; Kamm, Valentin; Laquai, Frédéric; Baumgarten, Martin","Tuning the sensitivity of fluorophore‒nitroxide radicals","Journal of Materials Chemistry","2012","22","26","13260","","10.1039/c2jm31390a","","","0.71073","MoKα","","0.0651","0.0447","","0.0589","0.0561","0.0561","","","","","","1.0804","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208579","8.964","0.007","30.082","0.005","9.428","0.006","90","","115.94","0.05","90","","2286","3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Perphenazine fumarate","","","- C23 H28 Cl N3 O3 S -","- C23 H28 Cl N3 O3 S -","- C92 H112 Cl4 N12 O12 S4 -","4","1","","Bruni, Giovanna; Maietta, Mariarosa; Maggi, Lauretta; Bini, Marcella; Capsoni, Doretta; Ferrari, Stefania; Boiocchi, Massimo; Berbenni, Vittorio; Milanese, Chiara; Marini, Amedeo","Perphenazine‒fumaric acid salts with improved solubility: preparation, physico-chemical characterization and in vitro dissolution","CrystEngComm","2012","14","18","6035","","10.1039/c2ce25846c","","","0.71073","MoKα","","0.1151","0.0844","","","0.2414","0.2664","","","","","","1.084","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208836","17.14","0.003","7.7891","0.0012","17.338","0.003","90","","102.363","0.004","90","","2261","0.7","223","2","223","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H16 N2 O4 S6 -","- C20 H16 N2 O4 S6 -","- C80 H64 N8 O16 S24 -","4","1","","Huo, Peng; Wang, Jin-Po; Shao, Ming-Yan; Sun, Yong-Gang; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie","A redox active proton transfer and hydrogen-bonding system of tetrathiafulvalene-dicarboxylic acid and pyridine bases.","Physical chemistry chemical physics : PCCP","2012","14","47","16229","16235","10.1039/c2cp42836a","","","0.71075","MoKα","","0.0997","0.0748","","","0.1313","0.1436","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208987","9.9474","0.0001","15.6416","0.0002","28.7511","0.0004","90","","95.117","0.001","90","","4455.65","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C42 H42 Gd2 O24 -","- C42 H24 Gd2 O24 -","- C168 H96 Gd8 O96 -","4","1","","Luo, Yun; Zheng, Yanjun; Calvez, Guillaume; Freslon, Stéphane; Bernot, Kevin; Daiguebonne, Carole; Roisnel, Thierry; Guillou, Olivier","Synthesis, crystal structure and luminescent properties of new lanthanide-containing coordination polymers involving 4,4′-oxy-bis-benzoate as ligand","CrystEngComm","2013","15","4","706","","10.1039/c2ce26390d","","x-ray","0.71073","MoKα","","0.0549","0.0404","","","0.0985","0.1057","","","","","","1.04","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7211240","8.4049","0.0008","21.2014","0.0018","9.3965","0.0006","90","","107.241","0.005","90","","1599.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H9 Bi Br4 N2 O -","- C10 H9 Bi Br4 N2 O -","- C40 H36 Bi4 Br16 N8 O4 -","4","1","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara","Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks","CrystEngComm","2013","15","42","8565","","10.1039/c3ce41579a","","","0.71073","MoKα","","0.1326","0.0517","","","0.0973","0.1205","","","","","","1.008","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7212208","10.861","0.002","17.249","0.002","18.531","0.002","90","","96.916","0.004","90","","3446.4","0.8","108.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H23 Cl2 O -","- C19 H20 Cl2 O -","- C152 H160 Cl16 O8 -","8","2","","Takahashi, Hiroki; Ito, Yoshikatsu","Low-temperature-induced reversible single-crystal-to-single-crystal phase transition of 3,4-dichloro-2′,4′,6′-triethylbenzophenone","CrystEngComm","2010","12","5","1628","","10.1039/b922167k","","","0.71075","MoKα","","","0.1868","","","","0.5145","","","","","","1.262","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212400","16.5817","0.0003","11.9938","0.0002","17.3483","0.0003","90","","100.137","0.0007","90","","3396.33","0.1","296.2","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C43 H34 N4 -","- C43 H34 N4 -","- C172 H136 N16 -","4","1","","Nakano, Hideyuki; Seki, Shu; Kageyama, Hiroshi","Photoinduced vitrification near the surfaces of single crystals of azobenzene-based molecular materials with glass-forming ability.","Physical chemistry chemical physics : PCCP","2010","12","28","7772","7774","10.1039/b926570h","","","1.5419","CuKα","","","0.0493","","","","0.1623","","","","","","2.112","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212401","16.5256","0.0003","12.1737","0.0002","17.4298","0.0003","90","","100.75","0.0007","90","","3444.95","0.1","296.2","","296","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C42 H34 N4 O2 -","- C42 H34 N4 O2 -","- C168 H136 N16 O8 -","4","1","","Nakano, Hideyuki; Seki, Shu; Kageyama, Hiroshi","Photoinduced vitrification near the surfaces of single crystals of azobenzene-based molecular materials with glass-forming ability.","Physical chemistry chemical physics : PCCP","2010","12","28","7772","7774","10.1039/b926570h","","","1.5419","CuKα","","","0.0501","","","","0.1629","","","","","","2.132","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212497","11.767","0.001","8.302","0.001","12.991","0.001","90","","111.53","0.01","90","","1180.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Pyr-TTF","","","- C11 H7 N S4 -","- C11 H7 N S4 -","- C44 H28 N4 S16 -","4","1","","Riobé, François; Avarvari, Narcis; Grosshans, Philippe; Sidorenkova, Helena; Berclaz, Théo; Geoffroy, Michel","Bis(tetrathiafulvalenes) with aromatic bridges: electron delocalization in the oxidized species through EPR and theoretical studies.","Physical chemistry chemical physics : PCCP","2010","12","33","9650","9660","10.1039/c001014f","","","0.71073","MoKα","","0.0842","0.0458","","","0.0778","0.0894","","","","","","1.08","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212681","9.6352","0.0004","4.9435","0.0002","12.8853","0.0005","90","","121.808","0.002","90","","521.57","0.04","293","","293","","850000","","850000","","","","","5","P 1 21/a 1","-P 2yab","14","DL-cysteine","","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","","Minkov, Vasily S.; Tumanov, Nikolay A.; Cabrera, Raul Quesada; Boldyreva, Elena V.","Low temperature/high pressure polymorphism in dl-cysteine","CrystEngComm","2010","12","9","2551","","10.1039/c003617j","powder diffraction","x-ray","0.70007","","","","","","","","","","","0.1443","","","","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212682","9.712","0.005","4.9755","0.002","13.107","0.006","90","","121.849","0.025","90","","538","0.5","293","","293","","250000","","250000","","","","","5","P 1 21/a 1","-P 2yab","14","DL-cysteine","","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","","Minkov, Vasily S.; Tumanov, Nikolay A.; Cabrera, Raul Quesada; Boldyreva, Elena V.","Low temperature/high pressure polymorphism in dl-cysteine","CrystEngComm","2010","12","9","2551","","10.1039/c003617j","powder diffraction","x-ray","0.70007","","","","","","","","","","","0.2005","","","","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7213015","12.022","0.004","8.616","0.002","13.244","0.004","90","","114.22","0.03","90","","1251.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","compoud 5b","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","1","","Devillers, Ingrid; de Wergifosse, Bertrand; Bruneau, Marie-Pierre; Tinant, Bernard; Declercq, Jean-Paul; Touillaux, Roland; Rees, Jean-François; Marchand-Brynaert, Jacqueline","Synthesis, structural characterization and antioxidative properties of aminopyrazine and imidazolopyrazine derivatives","Journal of the Chemical Society, Perkin Transactions 2","1999","","7","1481","","10.1039/a900289h","","","0.71069","MoKa","","0.1642","0.0679","","0.1249","0.1054","","","","0.849","1.217","1.217","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213087","18.639","0.004","10.296","0.002","9.869","0.002","90","","96.77","0.02","90","","1880.7","0.7","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","6a","5-Bromomethyl-5a-phenyl-5,5a,6,11,11a,12-hexahydronaphthacene","","- C25 H23 Br -","- C25 H23 Br -","- C100 H92 Br4 -","4","1","","Isobe, Shin-ichiro; Taniguchi, Masahiko; Sawada, Tsuyoshi; Thiemann, Thies; Yonemitsu, Tadashi; Mataka, Shuntaro","Novel rearrangement of conformationally restrained [3.3]orthocyclophanes","Journal of the Chemical Society, Perkin Transactions 1","1999","","15","2101","","10.1039/a903156a","","","1.54184","CuKα","","0.0586","0.0438","","","0.1437","0.183","","","","","","1.16","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213088","9.376","0.002","23.622","0.003","9.288","0.002","90","","112.03","0.02","90","","1906.9","0.7","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","5","12-Bromo-11a-phenyl-5a,6,11,11a,12,13-hexahydro-5H-benzo[4,5]cyclohepta[1,2 b]naphthalene","","- C25 H23 Br -","- C25 H23 Br -","- C100 H92 Br4 -","4","1","","Isobe, Shin-ichiro; Taniguchi, Masahiko; Sawada, Tsuyoshi; Thiemann, Thies; Yonemitsu, Tadashi; Mataka, Shuntaro","Novel rearrangement of conformationally restrained [3.3]orthocyclophanes","Journal of the Chemical Society, Perkin Transactions 1","1999","","15","2101","","10.1039/a903156a","","","1.54184","CuKa","","0.0542","0.0476","","","0.1328","0.1475","","","","","","1.099","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213108","13.684","0.002","5.827","0.001","20.132","0.003","90","0.02","91.76","0.02","90","0.02","1604.5","0.4","293","2","293","2","","","","","","","synthesis","3","P 1 21/a 1","-P 2yab","14","","3,3'''''-bis(butylthio)-2,2':5,,2'':5'',2''':5''',2'''':5'''',2'''''- -sexithiophene","","- C32 H30 S8 -","- C32 H30 S8 -","- C64 H60 S16 -","2","0.5","","Antolini, Luciano; Borsari, Marco; Goldoni, Francesca; Iarossi, Dario; Mucci, Adele; Schenetti, Luisa","Synthesis, structural characterization and electronic properties of 3,3″″′-bis(butylsulfanyl)-2,2′∶5′,2″∶5″,2‴∶5‴,2″″∶5″″,2‴″-sexithiophene","Journal of the Chemical Society, Perkin Transactions 1","1999","","21","3207","","10.1039/a904313f","","","0.71069","MoKα","","0.1109","0.054","","0.1759","0.1482","","","","0.979","1.152","1.152","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213127","15.048","0.004","11.327","0.003","16.988","0.004","90","0.02","97.02","0.02","90","0.02","2873.9","1.3","286.2","","286.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C27 H42 O4 S Si -","- C27 H42 O4 S Si -","- C108 H168 O16 S4 Si4 -","4","1","","Fujishima, Hiroshi; Takeshita, Hiroshi; Suzuki, Shuichi; Toyota, Masahiro; Ihara, Masataka","Hexamethyldisilazanes mediated one-pot intramolecular Michael addition‒olefination reactions leading to exo-olefinated bicyclo[6.4.0]dodecanes","Journal of the Chemical Society, Perkin Transactions 1","1999","","18","2609","","10.1039/a904484a","","","1.5418","CuKα","","","0.0631","","","0.0634","","","","","3.008","3.008","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213142","7.265","0.0006","12.408","0.002","14.529","0.002","90","","96.35","0.013","90","","1301.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C8 H14 N8 O4 -","- C8 H14 N8 O4 -","- C32 H56 N32 O16 -","4","1","","Bethel, Paul A.; Hill, Michael S.; Mahon, Mary F.; Molloy, Kieran C.","Reactions of organotin tetrazoles: synthesis of functionalised poly-tetrazoles","Journal of the Chemical Society, Perkin Transactions 1","1999","","23","3507","","10.1039/a905336k","","","0.7093","","","0.0615","0.0404","","0.1836","0.1489","","","","1.244","1.391","1.391","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213157","13.465","0.003","12.608","0.004","14.504","0.003","90","","116.85","0.03","90","","2196.8","1.1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H32 N4 O3 -","- C24 H30 N4 O2.5 -","- C96 H120 N16 O10 -","4","1","","Bellouard, Frédéric; Chuburu, Françoise; Kervarec, Nelly; Toupet, Loïc; Triki, Smaïl; Le Mest, Yves; Handel, Henri","cis-Diprotected cyclams and cyclens: a new route to symmetrically or asymmetrically 1,4-disubstituted tetraazamacrocycles and to asymmetrically tetrasubstituted derivatives","Journal of the Chemical Society, Perkin Transactions 1","1999","","23","3499","","10.1039/a905701c","","","0.71069","MoKα","","0.1005","0.0494","","","0.1304","0.1505","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213207","9.5471","0.0007","14.619","0.001","11.4954","0.0008","90","","97.993","0.005","90","","1588.82","0.19","296.2","","296.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14.5 H14 Cl N3 O4 -","- C14.5 H15 Cl N3 O4 -","- C58 H60 Cl4 N12 O16 -","4","1","","Murashima, Takashi; Tamai, Ryuji; Nishi, Keiji; Nomura, Kentaroh; Fujita, Ken-ichi; Uno, Hidemitsu; Ono, Noboru","Synthesis and X-ray structure of stable 2H-isoindoles","Journal of the Chemical Society, Perkin Transactions 1","2000","","6","995","","10.1039/a908641b","","","1.5418","CuKα","","0.0804","0.08","","0.075","","0.075","","","2.896","","","2.9","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7213282","6.517","0.007","18.98","0.01","6.754","0.008","90","","107.16","0.06","90","","798.2","1.4","100","3","100","3","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","endo-exo-1,4:5,8-diepoxy-1,23,4a,5,8,8a-octahydronaphthalene","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","1","","Eckert-Maksić, Mirjana; Novak-Doumbouya, Nana; Kiralj, Rudolf; Kojić-Prodić, Biserka","7-Oxanorbornene cycloadducts. X-Ray, molecular orbital and photoelectron spectroscopic study †","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1483","","10.1039/b001267j","","","0.71073","MoKα","","0.1324","0.0611","","","0.148","0.1884","","","","","","1.129","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213288","7.341","0.004","13.56","0.007","7.471","0.004","90","","118.44","0.01","90","","653.9","0.6","119","1","119","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C8 Cl6 O2 S2 -","- C8 Cl6 O2 S2 -","- C16 Cl12 O4 S4 -","2","0.5","","Skramstad, Jan; Lunde, Andreas; Hope, Håkon; Bjørnstad, Vidar; Frøyen, Paul","Chlorinated thiophenes. Part 2. Trihalogenated hydroxythiophenes; preparation, reactions and tautomeric properties","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1453","","10.1039/b001570i","","","1.54178","CuKα","","0.0612","0.0551","","0.1743","0.1653","","","","1.061","1.075","1.075","","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213393","22.123","0.003","7.04","0.001","15.937","0.003","90","0.1","92.8","0.1","90","0.1","2479.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H9 Cl2 N O2 -","- C14 H9 Cl2 N O2 -","- C112 H72 Cl16 N8 O16 -","8","2","","Mahato, Shashi B.; Garai, Subhadra; Weber, Manuela; Luger, Peter","A novel annelation to quinolines and isoquinolines under Friedel‒Crafts conditions: a one-step synthesis of functionalized pyridoquinolines and pyridoisoquinolines","Journal of the Chemical Society, Perkin Transactions 1","2000","","17","2898","","10.1039/b004444j","","","1.5418","CuKα","","0.0519","0.0408","","","0.1377","0.1412","","","","","","1.135","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213414","10.074","0.001","8.357","0.0009","13.991","0.002","90","","108.46","0.01","90","","1117.3","0.2","293","","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H15 O5 P S -","- C6 H15 O5 P S -","- C24 H60 O20 P4 S4 -","4","1","","Olivato, Paulo R.; Filho, Rubens Ruiz; Zukerman-Schpector, Julio; Dal Colle, Maurizio; Distefano, Giuseppe","Comparative spectroscopic and theoretical studies on the conformation of some α-diethoxyphosphoryl carbonyl compounds and their α-ethylsulfonyl analogues 1","Journal of the Chemical Society, Perkin Transactions 2","2001","","1","97","","10.1039/b005501h","","","0.71073","MoKα","","0.0699","0.0453","","","0.1197","0.1349","","","","","","1.048","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213466","7.892","0.002","15.17","0.02","12.017","0.004","90","","99.496","0.008","90","","1419","2","123.2","","123.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H17 N S2 -","- C16 H17 N S2 -","- C64 H68 N4 S8 -","4","1","","Moriguchi, Tetsuji; Sakata, Kazunori; Tsuge, Akihiko","Intra- and intermolecular interactions in substituted dithia[3.3]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","6","934","","10.1039/b100285f","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213499","9.917","0.002","11.62","0.003","13.983","0.004","90","","107.4","0.02","90","","1537.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H15 N O8 -","- C14 H15 N O8 -","- C56 H60 N4 O32 -","4","1","","Frances Heaney; Julie Fenlon; Colm O'Mahony; Patrick McArdle; Desmond Cunningham","Nitrogen-containing heterocycles: 1,3-dipolar cycloaddition of stabilized nitrones with alkynes; primary cycloadducts, first and second generation rearrangement processes","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3382","3392","10.1039/b106832f","","","0.71069","MoKα","","0.0729","0.0365","","","0.0934","0.1036","","","","","","1.032","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213539","8.117","0.006","19.978","0.007","19.981","0.008","90","","92.91","0.05","90","","3236","3","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C152 H136 N8 O32 -","8","2","","Habata, Yoichi; Fukuda, Yoji; Akabori, Sadatoshi; Bradshaw, Jerald S.","Alkali metal ion selectivities of podands that form pseudo-cyclic structures by intramolecular hydrogen bonding","Journal of the Chemical Society, Perkin Transactions 1","2002","","7","865","","10.1039/b201525k","","","0.7107","MoKα","","","0.1254","","","","0.3288","","","","","","1.414","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7214026","6.2442","0.0005","13.1523","0.0012","8.5929","0.0005","90","","96.82","0.006","90","","700.7","0.09","120","2","120","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C2 H5 N3 O3 P S -","- C2 H5 N3 O3 P S -","- C8 H20 N12 O12 P4 S4 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.5418","CuKα","","0.0834","0.0769","","0.0679","0.0662","0.0662","","","","","","1.1054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214222","7.9692","0.0009","9.1132","0.0008","12.9102","0.0011","90","","102.204","0.007","90","","916.41","0.15","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H12 Mn O5 -","- C7 H12 Mn O5 -","- C28 H48 Mn4 O20 -","4","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","0.71073","MoKα","","0.0961","0.0473","","","0.0757","0.0867","","","","","","1.019","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7215170","14.3544","0.0009","7.8891","0.0006","14.744","0.0011","90","","99.842","0.005","90","","1645.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C11 H8 Hg I3 N3 O -","- C11 H8 Hg I3 N3 O -","- C44 H32 Hg4 I12 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0694","0.0619","","","0.1592","0.1653","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215259","12.1162","0.001","27.444","0.003","19.0654","0.0016","90","","99.666","0.004","90","","6249.6","1","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C54 H42 F6 N8 O15 Re2 S2 -","- C54 H40 F6 N8 O15 Re2 S2 -","- C216 H160 F24 N32 O60 Re8 S8 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.2588","0.1206","","","0.23","0.2559","","","","","","0.775","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215260","12.8722","0.0004","4.9256","0.0002","17.571","0.0005","90","","104.327","0.002","90","","1079.41","0.06","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C48 H36 Br4 N8 O4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0442","0.0355","","","0.0815","0.0861","","","","","","1.031","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215294","17.615","0.005","16.644","0.005","19.66","0.005","90","0.005","91.89","0.005","90","0.005","5761","3","223","2","223","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H14 N4 O8 S Zn -","- C30 H14 N4 O8 S Zn -","- C120 H56 N16 O32 S4 Zn4 -","4","1","","Takashima, Yohei; Furukawa, Shuhei; Kitagawa, Susumu","Control of the charge-transfer interaction between a flexible porous coordination host and aromatic guests by framework isomerism","CrystEngComm","2011","13","10","3360","","10.1039/c1ce05201b","","","0.71073","MoKα","","0.0887","0.0643","","","0.1819","0.1911","","","","","","0.88","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215460","11.0637","0.0009","7.2056","0.0006","22.927","0.002","90","","101.564","0.008","90","","1790.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H14 N4 S4 -","- C16 H14 N4 S4 -","- C64 H56 N16 S16 -","4","1","","Biet, Thomas; Avarvari, Narcis","Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry","CrystEngComm","2014","16","29","6612","","10.1039/c4ce00736k","","","0.71073","MoKα","","0.1654","0.06","","","0.0924","0.1178","","","","","","1.003","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215498","15.0633","0.0003","14.5216","0.0003","21.9097","0.0005","90","","95.005","0.008","90","","4774.32","0.18","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H42 Cl2 Cu2 N10 O15 -","- C38 H42 Cl2 Cu2 N10 O15 -","- C152 H168 Cl8 Cu8 N40 O60 -","4","1","","Kolotilov, Sergey V.; Cador, Olivier; Pointillart, Fabrice; Golhen, Stéphane; Le Gal, Yann; Gavrilenko, Konstantin S.; Ouahab, Lahcène","A new approach towards ferromagnetic conducting materials based on TTF-containing polynuclear complexes","Journal of Materials Chemistry","2010","20","42","9505","","10.1039/b925178b","","","0.71073","MoKα","","0.1197","0.077","","","0.2247","0.2594","","","","","","1.028","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215907","8.3977","0.0014","11.2186","0.0018","12.207","0.002","90","","108.288","0.005","90","","1091.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C9 H10 N O3 Pd0.5 S2 -","- C9 H10 N O3 Pd0.5 S2 -","- C36 H40 N4 O12 Pd2 S8 -","4","1","","Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis","Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes","CrystEngComm","2014","16","30","7124","","10.1039/C4CE00518J","","","0.71073","MoKα","","0.0606","0.0567","","","0.1692","0.1752","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215910","9.67234","0.0001","14.37138","0.00015","8.18547","0.0001","90","","92.7327","0.0001","90","","1136.53","0.02","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 N6 O6 Pd -","- C20 H20 N6 O6 Pd -","- C40 H40 N12 O12 Pd2 -","2","0.5","","Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis","Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes","CrystEngComm","2014","16","30","7124","","10.1039/C4CE00518J","powder diffraction","","0.8269","synchrotron","","","","","","","","","4.3496","2.5756","","","","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7216072","9.194","0.0005","11.037","0.0007","9.283","0.0006","90","","107.528","0.004","90","","898.25","0.1","170","2","170","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C4 H9 N3 O5 S Zn -","- C4 H9 N3 O5 S Zn -","- C16 H36 N12 O20 S4 Zn4 -","4","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.71073","MoKα","","0.0317","0.0299","","","0.0778","0.0796","","","","","","1.086","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216188","13.991","0.0013","10.2442","0.0008","15.5461","0.0013","90","","99.564","0.003","90","","2197.2","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H16 Cl2 O2 S -","- C28 H16 Cl2 O2 S -","- C112 H64 Cl8 O8 S4 -","4","1","","Ballie, Laura; Farrugia, Louis J.; MacNicol, David D.; MacSween, Ross","2,7-di-p-Chlorobenzoylnaphtho[2?3?-4 : 5]thiepin: a conformationally flexible new host molecule showing solvatochromic effects","CrystEngComm","2004","6","58","326","","10.1039/b414315a","","x-ray","0.71073","MoKα","","0.0548","0.0383","","","0.1025","0.1099","","","","","","1.111","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216194","11.766","0.003","24.48","0.005","14.315","0.004","90","","100.78","0.03","90","","4050.4","1.8","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H40 Cl4 Cu2 N6 O7 -","- C38 H40 Cl4 Cu2 N6 O7 -","- C152 H160 Cl16 Cu8 N24 O28 -","4","1","","Mukhopadhyay, Uday; Choquesillo-Lazarte, Duane; Niclós-Gutiérrez, Juan; Bernal, Ivan","A critical look on the nature of the intra-molecular interligand π,π-stacking interaction in mixed-ligand copper(II) complexes of aromatic side-chain amino acidates and α,α'-diimines","CrystEngComm","2004","6","102","627","632","10.1039/b417707j","","x-ray","0.71073","MoKα","","0.1322","0.0499","","","0.093","0.1188","","","","","","1.007","","","","has coordinates","275109","2022-05-06","15:20:05",""
"7216312","10.726","0.002","9.0275","0.0013","18.333","0.007","90","","97.24","0.02","90","","1761","0.8","293","2","293","2","","","","","","","From LKF","6","P 1 21/a 1","-P 2yab","14","benzthiazide-anhydrate","6-chloro-3[[(phenylmethyl)thio]ethyl]4H-1,2,4-benzthothiadiazine- 7-sulfonamide-1,1-dioxide","","- C15 H14 Cl N3 O4 S3 -","- C15 H14 Cl N3 O4 S3 -","- C60 H56 Cl4 N12 O16 S12 -","4","1","","Prabakaran, Ponraj; Umadevi, Balakrishnan; Panneerselvam, Pathus; Muthiah, Packianathan Thomas; Bocelli, Gabriele; Righi, Lara","Conformational pseudo-polymorphism and hydrogen bonding: benzthiazide anhydrate and monohydrate, an antihypertensive drug","CrystEngComm","2003","5","86","487","","10.1039/b312815f","","","0.71069","MoKα","","0.064","0.0589","","0.1701","0.1642","","","","1.077","1.113","1.113","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216582","6.057","0.002","6.941","0.001","9.381","0.001","90","","94.5","0.02","90","","393.18","0.15","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N6 Ni S2 -","- C2 H8 N6 Ni S2 -","- C4 H16 N12 Ni2 S4 -","2","0.5","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes","CrystEngComm","2002","4","89","539","","10.1039/b208284e","","","0.71069","MoKα","","0.0385","0.0348","","","0.084","0.0861","","","","","","1.122","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216874","9.751","0.001","18.486","0.001","14.7287","0.0006","90","","115.759","0.0004","90","","2391.1","0.3","293.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H9 Cl3 O2 -","- C11 H9 Cl3 O2 -","- C88 H72 Cl24 O16 -","8","2","","Yokoyama, Ryuji; Ito, Shunji; Watanabe, Masataka; Harada, Nobuyuki; Kabuto, Chizuko; Morita, Noboru","[2 + 2] Cycloaddition reaction of cycloheptatriene with dichloroketene. A novel and efficient synthetic strategy for the synthesis of 2-hydroxyazulene","Journal of the Chemical Society, Perkin Transactions 1","2001","","18","2257","","10.1039/b104164a","","","0.7107","MoKα","","","0.0408","","","","0.0421","","","","","","0.938","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216890","13.818","0.003","16.4","0.006","14.252","0.003","90","","106.1","0.02","90","","3103","1.5","298","","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,2'4,4'6,6'-hexaiodo-1,1'-biphenyl-3,3',5,5'-tetrol","","- C21 H22 I6 O7 -","- C21 H4 I6 O7 -","- C84 H16 I24 O28 -","4","1","","Anelli, Pier Lucio; Brocchetta, Marino; Maffezzoni, (the late) Costantino; Paoli, Paola; Rossi, Patrizia; Uggeri, Fulvio; Visigalli, Massimo","Syntheses and X-ray crystal structures of derivatives of 2,2′,4,4′,6,6′-hexaiodobiphenyl","Journal of the Chemical Society, Perkin Transactions 1","2001","","10","1175","","10.1039/b009666k","","","0.71069","MoKα","","0.0691","0.0497","","","0.1202","0.1325","","","","","","1.05","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216950","6.629","0.005","12.996","0.009","7.373","0.005","90","","109.78","0.05","90","","597.7","0.8","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H7 N O -","- C7 H7 N O -","- C28 H28 N4 O4 -","4","1","","Blockhuys, Frank; Hinchley, Sarah L.; Robertson, Heather E.; Blake, Alexander J.; McNab, Hamish; Despinoy, Xavier L. M.; Harris, Steven G.; Rankin, David W. H.","Pyrrolizin-3-one and its 1,2-dihydro derivative: structures of the free molecules determined by electron diffraction and ab initio calculations and in the crystal by X-ray diffractionElectronic supplementary information (ESI) available: further experimental data. See http://www.rsc.org/suppdata/p2/b1/b102475m/","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2195","","10.1039/b102475m","","","0.71073","MoKα","","0.0415","0.034","","0.0937","0.0874","","","","1.089","1.123","1.123","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216960","18.3159","0.0006","8.4338","0.0002","20.4494","0.0005","90","","104.829","0.001","90","","3053.66","0.14","93.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H41 F O2 S2 -","- C33 H41 F O2 S2 -","- C132 H164 F4 O8 S8 -","4","1","","Moriguchi, Tetsuji; Inoue, Megumi; Yasutake, Mikio; Sinmyozu, Teruo; Sakata, Kazunori; Tsuge, Akihiko","Preparation and structural properties of dithia[3.3.1]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2084","","10.1039/b106154m","","","0.7107","MoKα","","","0.0301","","","","0.0417","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217114","9.175","0.002","9.849","0.003","22.197","0.004","90","","94.13","0.02","90","","2000.6","0.8","123","","123","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H31 F6 N2 P -","- C16 H31 F6 N2 P -","- C64 H124 F24 N8 P4 -","4","1","","Gordon, Charles M.; Holbrey, John D.; Kennedy, Alan R.; Seddon, Kenneth R.","Ionic liquid crystals: hexafluorophosphate salts","Journal of Materials Chemistry","1998","8","12","2627","","10.1039/a806169f","","","0.71069","MoKalpha","","0.1082","0.0394","","0.0519","0.0435","","","","","1.339","1.339","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218388","8.9605","0.0002","10.9173","0.0003","12.2318","0.0003","90","","102.135","0.002","90","","1169.83","0.05","120","0.14","120","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H16 N3 O P -","- C10 H16 N3 O P -","- C40 H64 N12 O4 P4 -","4","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","0.7107","MoKα","","0.0452","0.0334","","","0.0404","0.0411","","","","2.33","2.33","2.15","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218389","9.3055","0.0003","10.8856","0.0003","12.9523","0.0004","90","","93.386","0.002","90","","1309.73","0.07","120","0.14","120","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H20 N3 O P -","- C12 H20 N3 O P -","- C48 H80 N12 O4 P4 -","4","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","1.5418","CuKα","","0.0361","0.0303","","","0.0383","0.0391","","","","2.31","2.31","2.19","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218748","8.8404","0.0002","8.9886","0.0003","13.346","0.0004","90","","94.802","0.002","90","","1056.79","0.05","120","","120","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H30 N2 O2 -","- C26 H30 N2 O2 -","- C52 H60 N4 O4 -","2","0.5","","Ravat, Prince; Baumgarten, Martin","""Tschitschibabin type biradicals"": benzenoid or quinoid?","Physical chemistry chemical physics : PCCP","2015","17","2","983","991","10.1039/c4cp03522d","","","0.71073","MoKα","","0.0659","0.0505","","0.0643","0.0579","0.0574","","","","","","1.0718","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218750","8.6143","0.0005","9.1073","0.0007","11.3382","0.0009","90","","101.959","0.004","90","","870.21","0.11","120","","120","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","1","","Ravat, Prince; Baumgarten, Martin","""Tschitschibabin type biradicals"": benzenoid or quinoid?","Physical chemistry chemical physics : PCCP","2015","17","2","983","991","10.1039/c4cp03522d","","","0.71073","MoKα","","0.068","0.0577","","0.4001","0.0582","0.0582","","","","","","0.8373","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7220453","17.737","0.002","18.295","0.003","19.069","0.003","90","","92.168","0.002","90","","6183.4","1.6","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2ybc","14","","","","- C77 H67 Cl2 N5 Zn -","- C77 H67 Cl2 N5 Zn -","- C308 H268 Cl8 N20 Zn4 -","4","1","","Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko","Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions.","Physical chemistry chemical physics : PCCP","2015","17","22","15001","15011","10.1039/c5cp01420d","","","0.71073","MoKα","","0.0397","0.0331","","","0.0872","0.0916","","","","","","1.038","","","","has coordinates","138873","2020-10-21","18:00:00",""
"7220454","19.126","0.002","17.2247","0.0018","19.215","0.002","90","","93.303","0.002","90","","6319.7","1.1","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C71 H76 N4 O5 Zn -","- C71 H76 N4 O5 Zn -","- C284 H304 N16 O20 Zn4 -","4","1","","Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko","Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions.","Physical chemistry chemical physics : PCCP","2015","17","22","15001","15011","10.1039/c5cp01420d","","","0.71073","MoKα","","0.1637","0.1176","","","0.2997","0.3252","","","","","","1.137","","","","has coordinates","138873","2020-10-21","18:00:00",""
"7220534","7.882","0.005","7.035","0.005","16.863","0.005","90","0.005","97.547","0.005","90","0.005","927","0.9","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H2 Cd Cl2 O4 -","- C8 H2 Cd Cl2 O4 -","- C32 H8 Cd4 Cl8 O16 -","4","1","","Neto, Brenno A. D.; Silva, Gabriel C.O.; Corrêa, José; Rodrigues, marcelo Oliveira; Alvim, Haline G. O.; Guido, Bruna C.; Gatto, Claudia C.; Wanderley, Kaline; Fioramonte, Mariana; Gozzo, Fabio Cesar; de Souza, Rodrigo Octavio M. A.","The Biginelli Reaction under Batch and Continuous Flow Conditions: Catalysis, Mechanism and Antitumoral Activity","RSC Adv.","2015","","","","","10.1039/C5RA07677C","","x-ray","0.71073","MoKα","","0.0239","0.0227","","","0.0573","0.0579","","","","","","1.125","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7220859","8.0157","0.0009","25.291","0.003","11.9431","0.0015","90","","92.129","0.007","90","","2419.5","0.5","93","2","93","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H32 Ga N S2 -","- C25 H32 Ga N S2 -","- C100 H128 Ga4 N4 S8 -","4","1","","Matsumoto, Takuya; Tanaka, Kazuo; Chujo, Yoshiki","High HOMO levels and narrow energy band gaps of dithienogalloles","RSC Adv.","2015","5","68","55406","","10.1039/C5RA08584E","","","0.71075","MoKα","","0.0698","0.0458","","","0.1032","0.1129","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221663","13.2115","0.0006","9.4084","0.0004","18.0693","0.0007","90","","107.007","0.003","90","","2147.78","0.16","173","2","173","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H29 N3 -","- C26 H29 N3 -","- C104 H116 N12 -","4","1","","Thériault, K D; Radford, C.; Parvez, M.; Heyne, B.; Sutherland, T. C.","Structure-property relationship of donor-acceptor acridones - an optical, electrochemical and computational study.","Physical chemistry chemical physics : PCCP","2015","17","32","20903","20911","10.1039/c5cp03222a","","","0.71073","MoKα","","0.0771","0.0581","","","0.1367","0.1517","","","","","","1.101","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221672","15.823","0.017","9.588","0.01","17.462","0.019","90","","114.623","0.013","90","","2408","4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H21 B F2 N2 O -","- C29 H21 B F2 N2 O -","- C116 H84 B4 F8 N8 O4 -","4","1","","Tan, Ronghua; Lin, Qifei; Wen, Ying; Xiao, Shuzhang; Wang, Sa; Zhang, Ronghua; Yi, Tao","Polymorphism and mechanochromic luminescence of a highly solid-emissive quinoline-β-ketone boron difluoride dye","CrystEngComm","2015","17","35","6674","","10.1039/C5CE01138H","","","0.71073","MoKα","","0.2985","0.1377","","","0.1868","0.2393","","","","","","1.125","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222012","8.8683","0.0004","21.5484","0.001","15.2026","0.0007","90","","96.079","0.003","90","","2888.8","0.2","130","2","130","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","pdsnah","pdsnah","","- C36 H27 N2 O3 P Pd -","- C36 H27 N2 O3 P Pd -","- C144 H108 N8 O12 P4 Pd4 -","4","1","","ARUMUGAM, VIGNESH; Kaminsky, Werner; Nallasamy, Dharmaraj","ONO Pincer type Pd(II) complexes: Synthesis, crystal structure and catalytic activity towards C-2 arylation of quinoline scaffolds","RSC Adv.","2015","","","","","10.1039/C5RA15342E","","","0.71073","MoKα","","0.1147","0.0585","","","0.1137","0.131","","","","","","0.935","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222295","7.4145","0.0006","16.0955","0.0016","11.8314","0.001","90","","105.632","0.009","90","","1359.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","N'-[(1E)-1-(pyridin-2-yl)ethylidene]benzenesulfonohydrazide","N'-[(1E)-1-(pyridin-2-yl)ethylidene]benzenesulfonohydrazide","","- C13 H13 N3 O2 S -","- C13 H13 N3 O2 S -","- C52 H52 N12 O8 S4 -","4","1","","Arshad, Muhammad Nadeem; Rahman, Mohammed M.; Asiri, Abdullah M.; Sobahi, Tariq R.; Yu, Shu-Hong","Development of Hg2+sensor based on N′-[1-(pyridin-2-yl)ethylidene]benzenesulfono-hydrazide (PEBSH) fabricated silver electrode for environmental remediation","RSC Adv.","2015","5","99","81275","","10.1039/C5RA09399F","","","0.71073","MoKα","","0.0735","0.0493","","","0.1193","0.1369","","","","","","1.069","","","","has coordinates","158302","2020-10-21","18:00:00",""
"7222367","22.59","0.01","16.93","0.01","25.77","0.02","90","","92.54","0.04","90","","9846","11","446","2","446","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C92.5 H134.25 F8.25 N O17.75 -","- C92.5 H134.25 F8.25 N O17.75 -","- C370 H537 F33 N4 O71 -","4","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","α,ω-Alkanediyldiammonium dications sealed within calix[5]arene capsules with a hydrophobic bayonet-mount fastening","CrystEngComm","2015","17","41","7915","","10.1039/C5CE01558H","","","0.8856","","","0.1462","0.1187","","","0.3095","0.3476","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222937","27.59","","7.441","","7.515","","90","","90.16","","90","","1542.8","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Cs3 (N H3) As7","","- As7 Cs3 H3 N -","- As7 Cs3 H3 N -","- As28 Cs12 H12 N4 -","4","1","","Somer, M.; Hoenle, W.; von Schnering, H. G.","Darstellung, Kristallstruktur und Schwingungsspektren von Cs3As7 und Cs3(NH3)As7","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1989","44","","296","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7222956","10.521","","8.4369","","7.308","","90","","106.08","","90","","623.312","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Cs2 (U O2)2 (V2 O8)","","- Cs2 O12 U2 V2 -","- Cs2 O12 U2 V2 -","- Cs4 O24 U4 V4 -","2","0.5","","Dickens, P.G.; Stuttard, G.P.; Ball, R.G.J.; Patat, S.; Hull, S.; Powell, A.V.","Powder neutron diffraction study of the mixed uraniumvanadium oxides Cs2(UO2)2(V2O8) and UVO5","Journal of Materials Chemistry","1992","2","","161","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222963","7.14","","8.99","","12.165","","90","","96.3","","90","","776.139","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Pd (N S3)2","","- N2 Pd S6 -","- N2 Pd S6 -","- N8 Pd4 S24 -","4","1","","Weiss, J.; Neubert, H.S.","Zur Kenntnis der Metall-Schwefelstickstoff-Verbindungen IV. Die Struktur von (Pd (N S3)2)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1966","21","","286","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223301","18.295","0.003","8.6639","0.0008","19.269","0.005","90","","115.79","0.02","90","","2750","1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","ethyl 6-(4-(diphenylamino)phenyl)-1-oxo-3-phenyl-1H-indene-2-carboxylate","","- C36 H27 N O3 -","- C36 H27 N O3 -","- C144 H108 N4 O12 -","4","1","","Cappelli, Andrea; Razzano, Vincenzo; Fabio, Giuseppe; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Mróz, Wojciech; Villafiorita-Monteleone, Francesca; Botta, chiara","Side Chain Engineering in π-Stacked Polybenzofulvene Derivatives Bearing Electron-Rich Chromophores for OLED Applications","RSC Adv.","2015","","","","","10.1039/C5RA21164F","","","0.71073","MoKα","","0.3134","0.0804","","","0.0717","0.1226","","","","","","0.904","","","","has coordinates","170396","2020-10-21","18:00:00",""
"7223566","16.095","0.003","16.492","0.003","16.308","0.003","90","","118.02","0.005","90","","3821.4","1.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C35 H30.5 Cd2 N6 O10.25 -","- C35 H28 Cd2 N6 O10.25 -","- C140 H112 Cd8 N24 O41 -","4","1","","Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing","Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands","RSC Adv.","2015","5","129","107166","","10.1039/C5RA19936K","","","0.7107","MoKα","","0.0799","0.0658","","","0.1595","0.1686","","","","","","1.132","","","","has coordinates","171628","2020-10-21","18:00:00",""
"7223567","15.964","0.004","16.319","0.003","16.578","0.004","90","","118.02","0.004","90","","3812.6","1.5","223","2","223","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H24 Cd2 N8 O14 -","- C33 H22 Cd2 N8 O14 -","- C132 H88 Cd8 N32 O56 -","4","1","","Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing","Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands","RSC Adv.","2015","5","129","107166","","10.1039/C5RA19936K","","","0.71075","MoKα","","0.0789","0.0626","","","0.1492","0.1595","","","","","","1.093","","","","has coordinates","171628","2020-10-21","18:00:00",""
"7223676","8.175","","17.904","","8.432","","90","","104.31","","90","","1195.86","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(S4 N3)2 Se2 Cl10","","- Cl10 N6 S8 Se2 -","- Cl10 N6 S8 Se2 -","- Cl20 N12 S16 Se4 -","2","0.5","","Stammler, H.G.; Weiss, J.","Synthese und Kristallstruktur von (S4N3)2Se2Cl10 , (S4N3)2Se2Cl6 und ((S4N3)SeCl5)n","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1989","44","","1483","1487","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223912","24.5332","","5.2575","","22.0935","","90","","112.626","","90","","2630.37","","298.15","","298.15","","","","","","","","flavonoids","4","P 1 21/a 1","-P 2yab","14","QUER-NICO","Quercetin-NIcotinamide cocrystal","","- C21 H16 N2 O8 -","- C84 H64 N8 O32 -","- C336 H256 N32 O128 -","4","1","","Vasisht, Karan; chadha, kunal; Karan, Maninder; Chadha, Renu; Bhalla, Yashika; Jena, Ashish","Enhancing biopharmaceutical parameters of bioflavonoid quercetin by cocrystallization.","CrystEngComm","2016","","","","","10.1039/C5CE01899D","powder diffraction","x-ray","1.5046","CuK/a~1~","","","","","","","","","","","","","","","","","has coordinates","206173","2020-10-21","18:00:00",""
"7224132","14.1458","0.0004","7.2193","0.0002","17.4712","0.0004","90","","98.5591","0.0013","90","","1764.34","0.08","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","3phenyl diacid","2',5'-dihexyl-[1,1':4',1''-terphenyl]-4,4''-dicarboxylic acid","","- C36 H50 O6 S2 -","- C36 H50 O6 S2 -","- C72 H100 O12 S4 -","2","0.5","","Bowen, Alice M.; Jones, Michael W.; Lovett, Janet E.; Gaule, Thembanikosi G.; McPherson, Michael J.; Dilworth, Jonathan R.; Timmel, Christiane R.; Harmer, Jeffrey R.","Exploiting orientation-selective DEER: determining molecular structure in systems containing Cu(ii) centres.","Physical chemistry chemical physics : PCCP","2016","18","8","5981","5994","10.1039/c5cp06096f","","","0.71073","MoKα","","0.0746","0.0478","","0.1267","0.1143","0.1099","","","","","","1.0027","","","","has coordinates","177936","2020-10-21","18:00:00",""
"7224732","15.488","0.005","8.481","0.005","17.387","0.005","90","","112.763","0.005","90","","2106","1.5","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Shi, X.; El Hassan, N.; Ikni, A.; Li, W.; Guiblin, N.; Spasojević de-Biré, A.; Ghermani, N. E.","Experimental electron densities of neutral and zwitterionic forms of the drug piroxicam","CrystEngComm","2016","18","18","3289","","10.1039/C5CE02397A","","","0.71073","MoKα","","0.0211","0.0211","","","0.0323","0.0323","","","","","","0.474","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7225216","19.19","0.003","10.3544","0.0016","23.935","0.004","90","","101.528","0.0019","90","","4660","1.3","293.1","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Ir-3c","","- C54 H34 F6 Ir N3 O5 -","- C54 H30 F6 Ir N3 O5 -","- C216 H120 F24 Ir4 N12 O20 -","4","1","","Okamura, Naoki; Nakamura, Taiyo; Yagi, Shigeyuki; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki; Koseki, Shiro","Novel bis- and tris-cyclometalated iridium(III) complexes bearing a benzoyl group on each fluorinated 2-phenylpyridinate ligand aimed at development of blue phosphorescent materials for OLED","RSC Adv.","2016","","","","","10.1039/C6RA09385J","","","0.71075","MoKα","","","0.0509","","","","0.0567","","","","","","1.088","","","","has coordinates","182903","2020-10-21","18:00:00",""
"7225690","11.3192","0.0004","10.2762","0.0004","11.7534","0.0004","90","","100.198","0.002","90","","1345.54","0.08","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0448","0.0336","","","0.0891","0.0943","","","","","","1.032","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225691","11.3192","0.0004","10.2762","0.0004","11.7534","0.0004","90","","100.198","0.002","90","","1345.54","0.08","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.043","0.026","","","","0.028","","","","","","1.575","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225868","10.2092","0.0019","8.5034","0.0017","13.885","0.003","90","","98.655","0.005","90","","1191.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H6 Cd N4 O3 -","- C12 H6 Cd N4 O3 -","- C48 H24 Cd4 N16 O12 -","4","1","","Chen, Xi; Zhang, Biquan; Yu, Fan; Su, Min; Qin, Wenming; Li, Bao; Zhuang, Gui-lin; Zhang, Tianle","Synthesis, crystal structure and luminescence studies of zinc(ii) and cadmium(ii) complexes with 6-(1H-tetrazol-5-yl)-2-naphthoic acid","CrystEngComm","2016","18","34","6396","","10.1039/C6CE01273F","","","0.71073","MoKα","","0.0262","0.0204","","","0.0526","0.0561","","","","","","1.013","","","","has coordinates","186360","2020-10-21","18:00:00",""
"7226008","9.6722","0.0006","26.7274","0.0015","11.2684","0.0006","90","","106.882","0.0012","90","","2787.5","0.3","103","2","103","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C60 H36 S4 -","- C60 H36 S4 -","- C120 H72 S8 -","2","0.5","","Yamada, Hiroko; Yamashita, Masataka; Hayashi, Hironobu; Suzuki, Mitsuharu; Kuzuhara, Daiki; Yuasa, Junpei; Kawai, Tsuyoshi; Aratani, Naoki","Bisanthra-thianthrene: synthesis, structure and oxidation properties","RSC Adv.","2016","","","","","10.1039/C6RA13036D","","","0.71075","MoKα","","0.1434","0.0772","","","0.1911","0.2263","","","","","","1.038","","","","has coordinates,has disorder","184611","2020-10-21","18:00:00",""
"7227050","7.3613","0.0002","37.7897","0.0007","7.9918","0.0002","90","","115.71","0.004","90","","2003.08","0.11","130","2","130","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H15 N6 O2 -","- C24 H15 N6 O2 -","- C96 H60 N24 O8 -","4","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0455","0.0382","","","0.0957","0.1004","","","","","","1.1","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227165","24.1866","0.0011","8.1122","0.0002","13.0215","0.0006","90","","91.868","0.003","90","","2553.55","0.18","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Bosutinib anhydrate","","- C26 H29 Cl2 N5 O3 -","- C26 H29 Cl2 N5 O3 -","- C104 H116 Cl8 N20 O12 -","4","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","powder diffraction","x-ray","1.5418","CuKα","","0.077","0.0766","","0.1022","0.1022","","","","3.88","","","","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227254","8.6751","0.0008","11.2503","0.001","13.3424","0.001","90","","94.681","0.007","90","","1297.84","0.19","180","2","180","","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H34 N4 O4 -","- C26 H34 N4 O4 -","- C52 H68 N8 O8 -","2","0.5","","Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K.","A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication.","Physical chemistry chemical physics : PCCP","2017","19","10","6981","6988","10.1039/c6cp07538j","","","0.71073","MoKα","","0.0819","0.0498","","","0.1279","0.146","","","","","","0.878","","","","has coordinates","195185","2020-10-21","18:00:00",""
"7227255","8.829","0.0011","11.313","0.0016","10.403","0.0013","90","","107.834","0.009","90","","989.1","0.2","180","2","180","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H26 N4 O2 -","- C22 H26 N4 O2 -","- C44 H52 N8 O4 -","2","0.5","","Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K.","A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication.","Physical chemistry chemical physics : PCCP","2017","19","10","6981","6988","10.1039/c6cp07538j","","","0.71073","MoKα","","0.0622","0.0379","","","0.0968","0.1075","","","","","","0.927","","","","has coordinates","195185","2020-10-21","18:00:00",""
"7228326","9.592","0.003","33.01","0.008","14.296","0.004","90","","103.94","0.02","90","","4393","2","120","2","120","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C30 H62 Co N3 O6 S2 Si2 -","- C30 H62 Co N3 O6 S2 Si2 -","- C120 H248 Co4 N12 O24 S8 Si8 -","4","1","","Kowalkowska, Daria; Dołęga, Anna; Nedelko, Natalia; Hnatejko, Zbigniew; Ponikiewski, Łukasz; Matracka, Alicja; Ślawska-Waniewska, Anna; Strągowska, Alicja; Słowy, Klaudia; Gazda, Maria; Pladzyk, Agnieszka","Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands","CrystEngComm","2017","","","","","10.1039/C7CE00555E","","","0.71073","MoKα","","0.1354","0.0618","","","0.1281","0.157","","","","","","0.955","","","","has coordinates,has disorder","197011","2020-10-21","18:00:00",""
"7228637","7.699","0.002","7.644","0.002","5.769","0.001","90","","90.54","0.03","90","","339.5","0.14","","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- F4 K Mn -","- F4 K Mn -","- F16 K4 Mn4 -","4","1","","Molinier, Michel; Massa, Werner","The crystal structures of the tetrafluoromanganates(III) AMnF4 (A = K, Rb, Cs)","Zeitschrift fur Naturforschung","1992","","","783","788","","","x-ray","0.71069","MoKα","","","0.0291","","","0.0254","","","","","","","","","","","has coordinates","198469","2020-10-21","18:00:00",""
"7228638","7.822","0.005","7.777","0.003","6.05","0.002","90","","90.83","0.04","90","","368","0.3","","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- F4 Mn Rb -","- F4 Mn Rb -","- F16 Mn4 Rb4 -","4","1","","Molinier, Michel; Massa, Werner","The crystal structures of the tetrafluoromanganates(III) AMnF4 (A = K, Rb, Cs)","Zeitschrift fur Naturforschung","1992","","","783","788","","","x-ray","0.71069","MoKα","","","0.0668","","","0.0514","","","","","","","","","","","has coordinates","198470","2020-10-21","18:00:00",""
"7229962","7.339","0.005","14.815","0.005","11.777","0.005","90","","97.495","0.005","90","","1269.5","1.1","133","2","133","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","HL30a","","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C52 H64 N8 O12 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.144","0.0757","","","0.1826","0.2103","","","","","","0.921","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7230389","12.854","0.0007","9.8269","0.0006","14.2696","0.0011","90","","94.215","0.005","90","","1797.6","0.2","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Benzoxazole Derivatives","ethyl (E)-3-(2-(5-bromo-2-hydroxyphenyl)-5-methylbenzo[d]oxazol-3(2H)-yl)acrylate","","- C36 H28 Br0.5 N3 O12 -","- C38 H36 Br2 N2 O8 -","- C76 H72 Br4 N4 O16 -","2","0.5","","Bakthadoss, Manickam; Mushaf, Mohammad","A distal vinyl shift (DVS) through quadruple domino reaction: synthesis of N-vinyl benzoheterocyclic scaffolds","RSC Advances","2018","8","22","12152","","10.1039/C8RA01478G","","","0.7107","MoKα","","0.1008","0.0483","","","0.1102","0.1371","","","","","","1.017","","","","has coordinates","207174","2020-10-21","18:00:00",""
"7230639","15.308","0.003","15.9","0.003","11.58","0.002","90","","118.12","0.03","90","","2485.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H15 N3 O13 Tb -","- C24 H15 N3 O13 Tb -","- C96 H60 N12 O52 Tb4 -","4","1","","Ren, Yi-Xia; Zhao, Xiao-Long; Wang, Zhi-Xiang; Pan, Yong; Li, Hui-Ping; Wang, Fei-Yan; Zhu, Shao-Feng; Shao, Chen-Hui","Effects of template molecules on the structures and luminescence intensities of a series of porous Tb-MOFs based on the 2-nitroterephthalate ligand","RSC Advances","2018","8","31","17497","","10.1039/C8RA01224E","","","0.71073","MoKα","","0.0571","0.0382","","","0.1459","0.1622","","","","","","0.994","","","","has coordinates,has disorder","207771","2020-10-21","18:00:00",""
"7231013","8.793","0.0006","10.3957","0.0007","17.9","0.0013","90","","91.982","0.006","90","","1635.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C9 H21 Cl2 N3 O6 Sr -","- C9 H21 Cl2 N3 O6 Sr -","- C36 H84 Cl8 N12 O24 Sr4 -","4","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0955","0.0451","","","0.1118","0.1431","","","","","","0.857","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231015","8.7535","0.0006","10.3752","0.0007","17.8337","0.0013","90","","91.867","0.006","90","","1618.8","0.2","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C9 H21 Cl2 N3 O6 Sr -","- C9 H21 Cl2 N3 O6 Sr -","- C36 H84 Cl8 N12 O24 Sr4 -","4","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0768","0.039","","","0.1001","0.1262","","","","","","0.823","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231108","10.2951","0.0008","16.0225","0.0016","13.4259","0.0011","90","","104.251","0.006","90","","2146.5","0.3","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C40 H30 Br0 N8 O6 Re2 S4 -","- C40 H30 N8 O6 Re2 S4 -","- C80 H60 N16 O12 Re4 S8 -","2","0.5","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","0.71073","MoKα","","0.0903","0.0461","","","0.0922","0.1031","","","","","","0.907","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7233195","7.682","0.005","27.931","0.019","12.387","0.009","90","","97.151","0.008","90","","2637","3","163.1","","163","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C30 H38 N2 O2 -","- C30 H38 N2 O2 -","- C120 H152 N8 O8 -","4","1","","Tomohiro Hirade; Yumi Okui; Mina Han","A design strategy for stable light-sensitive palladium complexes","Journal of Materials Chemistry C","2013","1","","2672","2679","10.1039/C3TC00779K","","","0.7107","MoKα","","","0.1166","","","","0.3781","","","","","","1.354","","","","has coordinates","217145","2020-10-21","18:00:00",""
"7233197","16.463","0.0005","14.2801","0.0004","21.6052","0.0007","90","","99.901","0.002","90","","5003.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","tris(1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedionate) mono(bathophenanthroline)erbium(III)","","- C48 H46 Er F9 N2 O6 -","- C48 H46 Er F9 N2 O6 -","- C192 H184 Er4 F36 N8 O24 -","4","1","","Pablo Martin-Ramos; Manuela Ramos Silva; Carmen Coya; Carlos Zaldo; Angel Luis Alvarez; Susana Alvarez-Garcia; Ana M. Matos Beja; Jesus Martin-Gil","Novel erbium(III) fluorinated beta-diketonate complexes with N,N-donors for optoelectronics: from synthesis to solution-processed devices","Journal of Materials Chemistry C","2013","1","","2725","2734","10.1039/C3TC00649B","","","0.71073","MoKα","","0.1331","0.0519","","","0.0969","0.1248","","","","","","0.943","","","","has coordinates","217147","2020-10-21","18:00:00",""
"7233217","17.064","0.019","3.894","0.004","25.72","0.03","90","","108.82","0.015","90","","1618","3","173.1","","173.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H8 N2 S4 -","- C20 H8 N2 S4 -","- C80 H32 N8 S16 -","4","1","","Yongfa Xie; Takuya Fujimoto; Simon Dalgleish; Yoshiaki Shuku; Michio M. Matsushita; Kunio Awaga","Synthesis, optical properties and charge transport characteristics of a series of novel thiophene-fused phenazine derivatives","Journal of Materials Chemistry C","2013","1","","3467","3481","10.1039/C3TC30346B","","","0.7107","MoKα","","","0.113","","","","0.2638","","","","","","1.257","","","","has coordinates","217169","2020-10-21","18:00:00",""
"7233680","15.307","0.003","5.912","0.002","15.3931","0.0017","90","","106.796","0.012","90","","1333.6","0.5","296","","296","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C12 H15 Au Cl N O -","- C12 H15 Au Cl N O -","- C48 H60 Au4 Cl4 N4 O4 -","4","1","","Kaori Fujisawa; Yuki Okuda; Yuichi Izumi; Akira Nagamatsu; Yuki Rokusha; Yusuke Sadaike; Osamu Tsutsumi","Reversible thermal-mode control of luminescence from liquid-crystalline gold(I) complexes","Journal of Materials Chemistry C","2014","2","","3549","3555","10.1039/C3TC31973C","","x-ray","1.54178","CuKα","","0.0403","0.0308","","","","0.0932","","","","","","1.184","","","","has coordinates,has disorder","218031","2020-10-21","18:00:00",""
"7233681","20.744","0.002","7.279","0.003","21.511","0.003","90","","116.686","0.008","90","","2902.1","1.3","296","","296","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C13 H17 Au Cl N O -","- C13 H17 Au Cl N O -","- C104 H136 Au8 Cl8 N8 O8 -","8","2","","Kaori Fujisawa; Yuki Okuda; Yuichi Izumi; Akira Nagamatsu; Yuki Rokusha; Yusuke Sadaike; Osamu Tsutsumi","Reversible thermal-mode control of luminescence from liquid-crystalline gold(I) complexes","Journal of Materials Chemistry C","2014","2","","3549","3555","10.1039/C3TC31973C","","x-ray","1.54184","CuKα","","0.0547","0.043","","","","0.1252","","","","","","1.076","","","","has coordinates,has disorder","218032","2020-10-21","18:00:00",""
"7234454","7.4142","0.0019","16.069","0.004","15.802","0.005","90","","93.08","0.03","90","","1879.9","0.9","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C23 H21 N3 O2 -","- C23 H21 N3 O2 -","- C92 H84 N12 O8 -","4","1","","F. Grepioni; S. d'Agostino; D. Braga; A. Bertocco; L. Catalano; B. Ventura","Fluorescent crystals and co-crystals of 1,8-naphthalimide derivatives: synthesis, structure determination and photophysical characterization","Journal of Materials Chemistry C","2015","3","","9425","9434","10.1039/C5TC01518A","","","0.71073","MoKα","","0.2948","0.1117","","","0.0936","0.1365","","","","","","1.033","","","","has coordinates","219153","2020-10-21","18:00:00",""
"7235021","7.262","0.0005","7.4725","0.0006","23.2818","0.0016","90","","91.999","0.002","90","","1262.62","0.16","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H32 Cl4 Cu N2 -","- C20 H32 Cl4 Cu N2 -","- C40 H64 Cl8 Cu2 N4 -","2","0.5","","Bo Huang; Bao-Ying Wang; Zi-Yi Du; Wei Xue; Wei-Jian Xu; Yu-Jun Su; Wei-Xiong Zhang; Ming-Hua Zeng; Xiao-Ming Chen","Importing spontaneous polarization into a Heisenberg ferromagnet for a potential single-phase multiferroic","Journal of Materials Chemistry C","2016","4","","8704","8710","10.1039/C6TC02715F","","","0.71073","MoKα","","0.0585","0.0496","","","0.1449","0.155","","","","","","1.058","","","","has coordinates,has disorder","227667","2020-10-21","18:00:00",""
"7235547","17.742","0.005","19.095","0.005","19.603","0.005","90","0","97.922","0.005","90","0","6578","3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C78 H72 B Cl P4 Ru -","- C78 H72 B Cl P4 Ru -","- C312 H288 B4 Cl4 P16 Ru4 -","4","1","","Das, Uttam Kumar; Jena, Rajesh K.; Bhattacharjee, Manish","Synthesis, structure and catalytic properties of [Ru(dppp)2(CH3CN)Cl][BPh4] and isolation of catalytically active [Ru(dppp)2Cl][BPh4]: ruthenium catalysed alkyne homocoupling and tandem alkyne‒azide cycloaddition","RSC Adv.","2014","4","42","21964","","10.1039/C4RA01411A","","","0.71073","MoKα","","0.2284","0.0732","","","0.1274","0.1933","","","","","","0.964","","","","has coordinates","233123","2020-10-21","18:00:00",""
"7235647","12.2168","0.0005","8.6679","0.0003","12.9252","0.0005","90","","98.611","0.002","90","","1353.27","0.09","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","","","- C17 H21 N -","- C17 H21 N -","- C68 H84 N4 -","4","1","","Marquise, Nada; Bretel, Guillaume; Lassagne, Frédéric; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Gros, Philippe C.; Mongin, Florence","Deproto-metallation using mixed lithium‒zinc and lithium‒copper bases and computed CH acidity of 2-substituted quinolines","RSC Adv.","2014","4","38","19602","","10.1039/C4RA02583K","","x-ray","0.71073","MoKα","","0.0546","0.0406","","","0.107","0.1166","","","","","","1.029","","","","has coordinates","233204","2020-10-21","18:00:00",""
"7236854","10.1119","0.0005","16.5353","0.0008","12.9542","0.0007","90","","90.332","0.006","90","","2165.95","0.19","93","2","93","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H28 B10 Si -","- C19 H28 B10 Si -","- C76 H112 B40 Si4 -","4","1","","Naito, Hirofumi; Nishino, Kenta; Morisaki, Yasuhiro; Tanaka, Kazuo; Chujo, Yoshiki","Highly-efficient solid-state emissions of anthracene‒o-carborane dyads with various substituents and their thermochromic luminescence properties","Journal of Materials Chemistry C","2017","5","38","10047","","10.1039/C7TC02682J","","","0.71075","MoKα","","0.058","0.0456","","","0.1147","0.1255","","","","","","0.997","","","","has coordinates","236574","2020-10-21","18:00:00",""
"7237035","8.7379","0.0002","6.35286","0.0001","13.4028","0.0003","90","","90.3908","0.001","90","","743.98","0.03","100","","100","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H14 S4 -","- C16 H14 S4 -","- C32 H28 S8 -","2","0.5","","Wang, Chengyuan; Nakamura, Hiroshi; Sugino, Hiroyoshi; Takimiya, Kazuo","Thiacycle-fused benzo[1,2-b:4,5-b′]dithiophenes (BDTs): synthesis, packing, molecular orientation and semiconducting properties","Journal of Materials Chemistry C","2018","6","14","3604","","10.1039/C7TC05317G","","","1.54187","CuKα","","0.0423","0.0389","","","0.1106","0.1152","","","","","","1.048","","","","has coordinates","236729","2020-10-21","18:00:00",""
"7238141","13.498","0.003","4.3186","0.001","14.938","0.003","90","","111.365","0.004","90","","810.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","2,6-chloromethyl-N-phenylformamide","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C32 H32 Cl4 N4 O4 -","4","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0506","0.0395","","","0.1021","0.1111","","","","","","1.053","","","","has coordinates,has disorder","244078","2020-10-21","18:00:00",""
"7239007","7.4816","0.0002","15.2728","0.0004","9.6621","0.0003","90","","97.115","0.002","90","","1095.54","0.05","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-t-Butoxycarbonyl-4-methyl-1,3-oxazolidine-2-thione, 14","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","","Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D.","Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack","RSC Advances","2013","3","47","24997","","10.1039/c3ra41074a","","","0.71073","MoKα","","0.0367","0.0293","","","0.0722","0.0759","","","","","","1.055","","","","has coordinates","244505","2020-10-21","18:00:00",""
"7239076","10.7889","0.0003","19.9049","0.0005","17.5852","0.0005","90","","106.621","0.001","90","","3618.67","0.17","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C52 H35 N3 -","- C52 H35 N3 -","- C208 H140 N12 -","4","1","","Chen, Chien-Tien; Chao, Wei-Shan; Liu, Hao-Wei; Wei, Yi; Jou, Jwo-Huei; Kumar, Sudhir","Spirally configured cis-stilbene/fluorene hybrids as ambipolar, fluorescent materials for organic light emitting diode applications","RSC Advances","2013","3","24","9381","","10.1039/c3ra41642a","","","0.71073","MoKα","","0.1304","0.0643","","","0.169","0.2234","","","","","","1.095","","","","has coordinates","244536","2020-10-21","18:00:00",""
"7239247","14.0765","0.0007","9.4805","0.0003","15.3959","0.0006","90","","116.278","0.005","90","","1842.29","0.15","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H44 Cu N6 O16 -","- C28 H44 Cu N6 O16 -","- C56 H88 Cu2 N12 O32 -","2","0.5","","Shankar, Krapa; Das, Babulal; Baruah, Jubaraj B.","Organic cations controlling the nuclearity of copper(ii) 2,5-pyridinedicarboxylates","RSC Advances","2013","3","48","26220","","10.1039/c3ra44008g","","","0.71073","MoKα","","0.0687","0.0505","","","0.1402","0.1596","","","","","","0.955","","","","has coordinates","244617","2020-10-21","18:00:00",""
"7239401","9.6442","0.0012","14.035","0.0013","15.9534","0.0018","90","","91.025","0.009","90","","2159","0.4","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C25 H21 N3 O6 -","- C25 H21 N3 O6 -","- C100 H84 N12 O24 -","4","1","","Ahadi, Somayeh; Kamranifard, Telma; Armaghan, Mahsa; Khavasi, Hamid Reza; Bazgir, Ayoob","Domino Knoevenagel condensation‒Michael addition‒cyclization for the diastereoselective synthesis of dihydrofuropyrido[2,3-d]pyrimidines via pyridinium ylides in water","RSC Advances","2014","4","14","7296","","10.1039/c3ra45795h","","","0.71073","MoKα","","0.1308","0.0641","","","0.143","0.1675","","","","","","0.958","","","","has coordinates","244684","2020-10-21","18:00:00",""
"7240151","7.02521","0.00013","19.6681","0.0004","12.9331","0.0002","90","","90.7338","0.0007","90","","1786.85","0.06","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Ciprofloxacin Hydrochloride 1.43 Hydrate","Ciprofloxacin Hydrochloride 1.43 Hydrate","","- C17 H21.86 Cl F N3 O4.43 -","- C17 H21.86 Cl F N3 O4.43 -","- C68 H87.44 Cl4 F4 N12 O17.72 -","4","1","","Putra, Okky Dwichandra; Pettersen, Anna; Yonemochi, Etsuo; Uekusa, Hidehiro","Structural Origin of Physicochemical Properties Differences upon Dehydration and Polymorphic Transformation of Ciprofloxacin Hydrochloride Revealed by Structure Determination from Powder X-ray Diffraction Data","CrystEngComm","2020","","","","","10.1039/D0CE00261E","","","1.54186","CuKα","","0.0413","0.0388","","","0.104","0.1068","","","","","","1.09","","","","has coordinates","249598","2020-10-21","18:00:00",""
"7240456","9.017","0.003","9.118","0.003","9.594","0.003","90","","95.676","0.013","90","","784.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C4 I N O S3 -","- C4 I N O S3 -","- C16 I4 N4 O4 S12 -","4","1","","Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique","Halogen bonded metal bis(dithiolene) 2D frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00512F","","x-ray","0.71073","MoKα","","0.0843","0.0521","","","0.1214","0.1477","","","","","","1.091","","","","has coordinates","251826","2020-10-21","18:00:00",""
"7241132","14.1749","0.0009","16.1144","0.0008","14.9624","0.0011","90","","91.976","0.006","90","","3415.7","0.4","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H19 N O3 -","- C20 H18 N O3 -","- C160 H144 N8 O24 -","8","2","","Bakthadoss, Manickam; Reddy, Tadiparthi Thirupathi; Sharada, Duddu S.","Ruthenium-catalyzed, site-selective C–H activation: access to C5-substituted azaflavanone","RSC Advances","2020","10","52","31570","31574","10.1039/D0RA06580C","","","0.71073","MoKα","","0.1631","0.0821","","","0.213","0.2654","","","","","","1.049","","","","has coordinates","295543","2024-10-18","15:17:09",""
"7243823","10.9816","0.0002","15.6952","0.0002","13.8514","0.0002","90","","110.729","0.002","90","","2232.86","0.07","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C15 H14 Br2 Cl2 I2 N2 O -","- C15 H14 Br2 Cl2 I2 N2 O -","- C60 H56 Br8 Cl8 I8 N8 O4 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54179","CuKα","","0.0537","0.0522","","","","0.1591","","","","","","1.048","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7244528","9.5617","0.0004","39.729","0.0015","10.2744","0.0004","90","","92.477","0.003","90","","3899.4","0.3","200","2","200","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","Palladacycle","","- C43 H41 Cl N5 O3 P Pd -","- C43 H41 Cl N5 O3 P Pd -","- C172 H164 Cl4 N20 O12 P4 Pd4 -","4","1","","Morla, Jhansi Rani; Nareddula, Dastagiri Reddy","Synthesis of dihydroisoquinolinone-4-methylboronic esters via domino Heck/borylation using a structurally characterized palladacycle as a catalyst","RSC Advances","2022","12","11","6762","6771","10.1039/D2RA00389A","","","0.71073","MoKα","","0.1401","0.1159","","","0.2262","0.2373","","","","","","1.06","","","","has coordinates","273189","2022-03-01","02:09:26",""
"7244636","11.8013","0.0002","6.8401","0.0002","14.1778","0.0003","90","","91.9732","0.0011","90","","1143.78","0.05","90","2","90","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","","0.71073","MoKα","","0.0607","0.0433","","","0.1193","0.139","","","","","","1.097","","","","has coordinates","273760","2022-03-17","23:41:24",""
"7245071","12.1477","0.0018","7.4576","0.0008","13.8322","0.0019","90","","114.653","0.018","90","","1138.9","0.3","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H18 N6 O10 -","- C22 H18 N6 O10 -","- C44 H36 N12 O20 -","2","0.5","","Ramesh, Deepthi; Mohanty, Amaresh Kumar; De, Anirban; Vijayakumar, Balaji Gowrivel; Sethumadhavan, Aiswarya; Muthuvel, Suresh Kumar; Mani, Maheswaran; Kannan, Tharanikkarasu","Uracil derivatives as HIV-1 capsid protein inhibitors: design, in silico, in vitro and cytotoxicity studies","RSC Advances","2022","12","27","17466","17480","10.1039/D2RA02450K","","","0.71073","MoKα","","0.0753","0.0537","","","0.16","0.1805","","","","","","1.0715","","","","has coordinates","276015","2022-06-14","01:17:24",""
"7245739","8.9833","0.0006","4.2238","0.0002","9.4734","0.0006","90","","97.508","0.006","90","","356.37","0.04","100","","100","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Propanal","- C3 H6 O -","- C3 H6 O -","- C12 H24 O4 -","4","1","","Maynard-Casely, Helen E; Yevstigneyev, Nikita S.; Duyker, Samuel G.; Ennis, Courtney","The crystal structure, thermal expansion and far-IR spectrum of propanal (CH<sub>3</sub>CH<sub>2</sub>CHO) determined using powder X-ray diffraction, neutron scattering, periodic DFT and synchrotron techniques.","Physical chemistry chemical physics : PCCP","2021","24","1","122","128","10.1039/d1cp04477j","","","0.709406","Mokα","","","","","","","","","","","","","","","","","has coordinates","278853","2022-10-28","07:32:06",""
"7246604","7.909","0.00013","3.95477","0.00007","7.94357","0.00013","90","","90.0831","0.0015","90","","248.461","0.007","293","0.1","293","0.1","","","","","","","","2","P 1 21/a 1","-P 2yab","14","Europium disulfide","Europium (III) disulfide","","- Eu S2 -","- Eu S2 -","- Eu4 S8 -","4","1","","Ekimov, E. A.; Nikolaev, S. N.; Ivanova, A. G.; Sidorov, V. A.; Shiryaev, A. A.; Usmanov, I. I.; Vasiliev, A. L.; Artemov, V. V.; Kondrin, M. V.; Chernopitsskiy, M. A.; Krivobok, V. S.","Structural, optical and transport properties of layered europium disulfide synthesized under high pressure","CrystEngComm","2023","25","19","2966","2978","10.1039/D2CE01647H","","x-ray","0.71073","MoKα","","0.0144","0.0121","","","0.0229","0.0232","","","","","","1.074","","","","has coordinates","284250","2023-06-05","04:20:31",""
"7246665","14.498","0.0013","7.5276","0.0009","16.6742","0.0017","90","","111.731","0.005","90","","1690.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 N2 S8 -","- C12 H10 N2 S8 -","- C48 H40 N8 S32 -","4","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.06","0.0374","","","0.0894","0.1013","","","","","","1.049","","","","has coordinates,has disorder","284253","2023-06-05","04:21:18",""
"7247853","10.9638","0.0009","22.3683","0.0018","14.3096","0.0013","90","","102.531","0.008","90","","3425.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","dimethyl (14Z,11Z,3E,8E)-6-butyl-11H,11H-14,17-dioxa-6-aza-1,11(4,1)-ditriazola-2,10(1,4)-dibenzenacyclononadecaphane-3,8-diene-4,8-dicarboxylate","","- C36 H43 N7 O6 -","- C36 H43 N7 O6 -","- C144 H172 N28 O24 -","4","1","","Saletti, Mario; Venditti, Jacopo; Paolino, Marco; Zacchei, Arianna; Giuliani, Germano; Giorgi, Gianluca; Bonechi, Claudia; Donati, Alessandro; Cappelli, Andrea","A tri(ethylene glycol)-tethered Morita–Baylis–Hillman dimer in the formation of macrocyclic crown ether-paracyclophane hybrid structures","RSC Advances","2023","13","51","35773","35780","10.1039/D3RA06792K","","x-ray","0.71073","MoKα","","0.2632","0.0822","","","0.0759","0.1019","","","","","","0.692","","","","has coordinates","288240","2023-12-12","02:18:53",""
"7700041","14.03","0.004","23.66","0.004","15.82","0.004","90","","113.39","0.05","90","","4820","3","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P2yab","14","","","","- C44 H42 N4 O22 Zn6 -","- C44 H42 N4 O22 Zn6 -","- C176 H168 N16 O88 Zn24 -","4","1","","Gheorghe, Andreea; Imaz, Inhar; van der Vlugt, Jarl Ivar; Maspoch, Daniel; Tanase, Stefania","Tuning the supramolecular isomerism of MOF-74 by controlling the synthesis conditions","Dalton Transactions","2019","","","","","10.1039/C9DT01572H","","","0.72656","synchrotron","","0.0415","0.0362","","","0.0946","0.0982","","","","","","1.02","","","","has coordinates,has disorder","215382","2020-10-21","18:00:00",""
"7701180","7.9002","0.0003","18.0037","0.0006","11.387","0.0005","90","","94.962","0.004","90","","1613.54","0.11","133","2","133","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[CuL40cBr]","","","- C15 H19 Br Cu N2 O4 -","- C15 H19 Br Cu N2 O4 -","- C60 H76 Br4 Cu4 N8 O16 -","4","1","","Dankhoff, Katja; Gold, Madeleine; Kober, Luisa; Schmitt, Florian; Pfeifer, Lena; Dürrmann, Andreas; Kostrhunova, Hana; Rothemund, Matthias; Brabec, Viktor; Schobert, Rainer; Weber, Birgit","Copper(ii) complexes with tridentate Schiff base-like ligands: solid state and solution structures and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15220","15230","10.1039/c9dt02571e","","","0.71073","MoKα","","0.0642","0.043","","","0.1035","0.1137","","","","","","1.037","","","","has coordinates","224239","2020-10-21","18:00:00",""
"7701406","7.9665","0.0001","30.139","0.0003","13.215","0.0001","90","","104.765","0.001","90","","3068.18","0.06","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H21 N3 O10 Ti -","- C10 H21 N3 O10 Ti -","- C80 H168 N24 O80 Ti8 -","8","2","","Yang, Yu-chen; Liu, Qiong-Xin; Zhou, Zhao-Hui; Wan, Huilin","Regioselective conversions of H4pdta (1,2-propanediaminetetraacetic acid) and H4eed3a to their triacetates on peroxotitanates","Dalton Transactions","2019","","","","","10.1039/C9DT03589C","","","0.71073","MoKα","","0.0369","0.0341","","","0.0881","0.0896","","","","","","1.083","","","","has coordinates,has disorder","219471","2020-10-21","18:00:00",""
"7701888","7.5475","0.0001","18.8361","0.0002","14.6355","0.0002","90","","101.684","0.0005","90","","2037.55","0.04","200","","200","","","","","","","","?","8","P 1 21/a 1","-P 2yab","14","","","","- C14 H19 B Cl2 Mo N4 O2 S2 -","- C14 H19 B Cl2 Mo N4 O2 S2 -","- C56 H76 B4 Cl8 Mo4 N16 O8 S8 -","4","1","","Abernethy, Robyn J.; Foreman, Mark R St-J; Hill, Anthony F.; Smith, Matthew K.; Willis, Anthony C.","Relative hemilabilities of H<sub>2</sub>B(az)<sub>2</sub> (az = pyrazolyl, dimethylpyrazolyl, methimazolyl) chelates in the complexes [M(η-C<sub>3</sub>H<sub>5</sub>)(CO)<sub>2</sub>{H<sub>2</sub>B(az)<sub>2</sub>}] (M = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2020","49","3","781","796","10.1039/c9dt03744f","","","0.71073","MoKα","","","0.0334","","","","0.0368","","","","","","0.9712","","","","has coordinates","247752","2020-10-21","18:00:00",""
"7701891","7.5455","0.0001","18.7786","0.0004","14.5838","0.0003","90","","101.486","0.0008","90","","2025.05","0.07","200","","200","","","","","","","","?","8","P 1 21/a 1","-P 2yab","14","","","","- C14 H19 B Cl2 N4 O2 S2 W -","- C14 H19 B Cl2 N4 O2 S2 W -","- C56 H76 B4 Cl8 N16 O8 S8 W4 -","4","1","","Abernethy, Robyn J.; Foreman, Mark R St-J; Hill, Anthony F.; Smith, Matthew K.; Willis, Anthony C.","Relative hemilabilities of H<sub>2</sub>B(az)<sub>2</sub> (az = pyrazolyl, dimethylpyrazolyl, methimazolyl) chelates in the complexes [M(η-C<sub>3</sub>H<sub>5</sub>)(CO)<sub>2</sub>{H<sub>2</sub>B(az)<sub>2</sub>}] (M = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2020","49","3","781","796","10.1039/c9dt03744f","","","0.71073","MoKα","","","0.0299","","","","0.0339","","","","","","1.0663","","","","has coordinates","247752","2020-10-21","18:00:00",""
"7702138","10.7353","0.0003","16.2907","0.0005","13.7091","0.0003","90","","95.421","0.002","90","","2386.8","0.11","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C40.5 H17 Au2 Cl Cu2 F20 N8 -","- C40.5 H17 Au2 Cl Cu2 F20 N8 -","- C81 H34 Au4 Cl2 Cu4 F40 N16 -","2","0.5","","Donamaría, Rocío; Fernández, Eduardo J; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena; Pascual, David; Rodríguez-Castillo, María","New Au(i)-Cu(i) heterometallic complexes: the role of bridging pyridazine ligands in the presence of unsupported metallophilic interactions.","Dalton transactions (Cambridge, England : 2003)","2017","46","33","10941","10949","10.1039/c7dt02229h","","x-ray","0.71073","MoKα","","0.06","0.0401","","","0.106","0.1162","","","","","","1.055","","","","has coordinates","235644","2020-10-21","18:00:00",""
"7702364","9.367","0.002","30.236","0.013","9.481","0.003","90","","105.37","0.02","90","","2589.2","1.5","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","[Re2(mu-PPh2)(mu-C4H3S)(CO)8] (COMPOUND 5 IN DALTON PAPER 8/09845J)","","- C24 H13 O8 P Re2 S -","- C24 H13 O8 P Re2 S -","- C96 H52 O32 P4 Re8 S4 -","4","1","","Deeming, Antony J.; Shinhmar, Mukesh K.; Arce, Alejandro J.; De Sanctis, Ysaura","Two different types of 2-thienyl bridge in dinuclear manganese and rhenium compounds","Journal of the Chemical Society, Dalton Transactions","1999","","7","1153","","10.1039/a809845j","","","0.71073","MoKα","","0.0594","0.0491","","0.1352","0.1257","","","","1.03","1.06","1.06","","","","","has coordinates","243840","2020-10-21","18:00:00",""
"7702483","10.7805","0.0005","13.1187","0.0009","16.6749","0.0008","90","","95.899","0.005","90","","2345.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Tris[chloro 2(N,N-dimtehylamino)ethylselenato palladium(II)]","","","- C12 H30 Cl3 N3 Pd3 Se3 -","- C12 H26 Cl3 N3 Pd3 Se3 -","- C48 H104 Cl12 N12 Pd12 Se12 -","4","1","","Dey, Sandip; Jain, Vimal K.; Chaudhury, Satyajeet; Knoedler, Axel; Lissner, Falk; Kaim, Wolfgang","2-(Dimethylamino)ethaneselenolates of palladium(II): synthesis, structure, spectroscopy and transformation into palladium selenide","Journal of the Chemical Society, Dalton Transactions","2001","","5","723","","10.1039/b008310k","","","0.71073","MoKα","","0.052","0.0357","","","0.0838","0.0883","","","","","","0.884","","","","has coordinates","243878","2020-10-21","18:00:00",""
"7702494","16.5362","0.0015","13.789","0.002","22.407","0.002","90","","111.652","0.008","90","","4748.7","1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Complex 20","","","- C32 H58 N8 O27 S3 Zn3 -","- C32 H44 N8 O27 S3 Zn3 -","- C128 H176 N32 O108 S12 Zn12 -","4","1","","Arnold, Phillip J.; Davies, Sian C.; Dilworth, Jonathan R.; Durrant, Marcus C.; Griffiths, D. Vaughan; Hughes, David L.; Richards, Raymond L.; Sharpe, Philip C.","Copper complexes of the functionalised tripodal ligand tris(2-pyridyl)methylamine and its derivatives †","Journal of the Chemical Society, Dalton Transactions","2001","","5","736","","10.1039/b008476j","","","0.71069","Mo-Kα","","0.0544","0.0436","","0.1154","0.1045","","","","1.079","1.083","1.083","","","","","has coordinates","243881","2020-10-21","18:00:00",""
"7702507","15.947","0.017","23.9","0.03","16.64","0.019","90","","96.769","0.01","90","","6298","13","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C63 H58 Cl N4 O15 Re -","- C63 H58 Cl N4 O15 Re -","- C252 H232 Cl4 N16 O60 Re4 -","4","1","","Cooper, James B.; Drew, Michael G. B.; Beer, Paul D.","Heteroditopic rhenium(I) and ruthenium(II) bipyridyl calix[4]arene receptors for binding cation‒anion ion pairs","Journal of the Chemical Society, Dalton Transactions","2001","","4","392","","10.1039/b008576f","","","0.71073","MoKα","","0.2151","0.0961","","","0.25","0.3055","","","","","","0.928","","","","has coordinates","243885","2020-10-21","18:00:00",""
"7702526","7.95","0.011","22.307","0.027","18.298","0.023","90","","90","","90","","3245","7","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C11 H18 Br Cl Cu N4 O4 -","- C11 H18 Br Cl Cu N4 O4 -","- C88 H144 Br8 Cl8 Cu8 N32 O32 -","8","2","","Félix, Vitor; Costa, Judite; Delgado, Rita; Drew, Michael G. B.; Duarte, Maria Teresa; Resende, Catarina","X-Ray diffraction and molecular mechanics studies of 12-, 13-, and 14-membered tetraaza macrocycles containing pyridine: effect of the macrocyclic cavity size on the selectivity of the metal ion","Journal of the Chemical Society, Dalton Transactions","2001","","9","1462","","10.1039/b009773j","","","0.71073","MoKα","","0.1203","0.0703","","","0.1862","0.2129","","","","","","1.085","","","","has coordinates","243893","2020-10-21","18:00:00",""
"7702544","14.927","0.007","12.871","0.006","15.254","0.006","90","","102.09","0.02","90","","2866","2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H27 B2 Eu N12 O2 -","- C23 H27 B2 Eu N12 O2 -","- C92 H108 B8 Eu4 N48 O8 -","4","1","","Lawrence, Royston G.; Hamor, Thomas A.; Jones, Christopher J.; Paxton, Keith; Rowley, Natalie M.","Structural studies of some mono- and bi-nuclear heteroleptic trispyrazolyborate complexes containing eight-co-oordinated europium and gadolinium†","Journal of the Chemical Society, Dalton Transactions","2001","","14","2121","","10.1039/b100896j","","","0.7107","MoKa","","0.0373","0.0275","","0.0612","0.0576","","","","1.069","1.074","1.074","","","","","has coordinates","243902","2020-10-21","18:00:00",""
"7702608","7.779","0.004","15.561","0.004","11.124","0.002","90","","99.07","0.02","90","","1329.7","0.8","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H34 N2 Ni2 O20 -","- C16 H32 N2 Ni2 O20 -","- C32 H64 N4 Ni4 O40 -","2","0.5","","Ikeda, Kazuhide; Ohba, Masaaki; ÅŒkawa, Hisashi","Dinuclear CuII and NiII complexes of 3-formylsalicylic acid oxime: cis/trans topology and extension of a cis-CuII2 complex to a pentanuclear CuIICuIIMnIICuIICuII complex","Journal of the Chemical Society, Dalton Transactions","2001","","20","3119","","10.1039/b103384k","","","0.7107","MoKα","","","0.0322","","","","0.0428","","","","","","1.743","","","","has coordinates","243922","2020-10-21","18:00:00",""
"7702617","15.6132","0.0018","13.2356","0.0019","15.866","0.003","90","","95.909","0.011","90","","3261.3","0.9","296","2","296","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[CoCl~2~(IMmepy)]","Dichloro(2-(2-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxy)cobalt(II)","","- C13 H18 Cl2 Co N3 O -","- C13 H18 Cl2 Co N3 O -","- C104 H144 Cl16 Co8 N24 O8 -","8","2","","Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio","Syntheses, structures, magnetic, and spectroscopic properties of cobalt(ii), nickel(ii) and zinc(ii) complexes containing 2-(6-methyl)pyridyl-substituted nitronyl and imino nitroxide†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2943","","10.1039/b103647p","","","0.71069","MoKα","","0.1724","0.0398","","","0.0875","0.114","","","","","","0.962","","","","has coordinates","243925","2020-10-21","18:00:00",""
"7702619","15.6669","0.0014","13.2652","0.0018","15.8854","0.0018","90","","95.677","0.008","90","","3285.2","0.7","293","2","296","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[ZnCl~2~(IMmepy)]","Dichloro(2-(2-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxy)zinc(II)","","- C13 H18 Cl2 N3 O Zn -","- C13 H18 Cl2 N3 O Zn -","- C104 H144 Cl16 N24 O8 Zn8 -","8","2","","Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio","Syntheses, structures, magnetic, and spectroscopic properties of cobalt(ii), nickel(ii) and zinc(ii) complexes containing 2-(6-methyl)pyridyl-substituted nitronyl and imino nitroxide†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2943","","10.1039/b103647p","","","0.71069","MoKα","","0.2104","0.0429","","","0.0924","0.1276","","","","","","0.912","","","","has coordinates","243925","2020-10-21","18:00:00",""
"7702632","12.458","0.014","14.997","0.017","12.515","0.014","90","","93.54","0.01","90","","2334","5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H29 N6 O3 -","- C22 H30 N6 O3 -","- C88 H120 N24 O12 -","4","1","","Boubals, Nathalie; Drew, Michael G. B.; Hill, Clément; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Russell, Mark L.; Youngs, Tristan G. A.","Americium(iii) and europium(iii) solvent extraction studies of amide-substituted triazine ligands and complexes formed with ytterbium(iii)","Journal of the Chemical Society, Dalton Transactions","2002","","1","55","","10.1039/b104181a","","","0.71073","MoKα","","0.2214","0.092","","","0.2439","0.3061","","","","","","0.914","","","","has coordinates","243930","2020-10-21","18:00:00",""
"7702656","15.74","0.01","17.42","0.01","16.32","0.01","90","","102.66","0.06","90","","4366","5","275.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C47 H47 F6 O2 P2 Rh -","- C47 H47 F6 O2 P2 Rh -","- C188 H188 F24 O8 P8 Rh4 -","4","1","","Yamamoto, Yasuhiro; Sugawara, Kenichiro; Han, Xiao-Hong","Novel single or double insertion of alkynes into rhodium‒ and iridium‒oxygen or ‒phosphorus atom bonds and transannular addition of 1-alkynes between the rhodium atom and the ipso-carbon atom of the phosphorus ligand","Journal of the Chemical Society, Dalton Transactions","2002","","2","195","","10.1039/b104811m","","","0.7107","MoKα","","","0.0995","","","","0.1069","","","","","","1.816","","","","has coordinates","243940","2020-10-21","18:00:00",""
"7702657","15.534","0.003","19.986","0.003","15.757","0.003","90","","103.7","0.01","90","","4752.8","1.5","299.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C49 H47 F6 O6 P2 Rh -","- C49 H47 F6 O6 P2 Rh -","- C196 H188 F24 O24 P8 Rh4 -","4","1","","Yamamoto, Yasuhiro; Sugawara, Kenichiro; Han, Xiao-Hong","Novel single or double insertion of alkynes into rhodium‒ and iridium‒oxygen or ‒phosphorus atom bonds and transannular addition of 1-alkynes between the rhodium atom and the ipso-carbon atom of the phosphorus ligand","Journal of the Chemical Society, Dalton Transactions","2002","","2","195","","10.1039/b104811m","","","0.7107","MoKα","","","0.063","","","","0.0747","","","","","","1.222","","","","has coordinates","243940","2020-10-21","18:00:00",""
"7702659","15.411","0.003","22.199","0.004","10.602","0.004","90","","110.11","0.03","90","","3405.9","1.7","173.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C34 H35 F6 O5 P2 Rh -","- C34 H35 F6 O5 P2 Rh -","- C136 H140 F24 O20 P8 Rh4 -","4","1","","Yamamoto, Yasuhiro; Sugawara, Kenichiro; Han, Xiao-Hong","Novel single or double insertion of alkynes into rhodium‒ and iridium‒oxygen or ‒phosphorus atom bonds and transannular addition of 1-alkynes between the rhodium atom and the ipso-carbon atom of the phosphorus ligand","Journal of the Chemical Society, Dalton Transactions","2002","","2","195","","10.1039/b104811m","","","0.7107","MoKα","","","0.05","","","","0.0686","","","","","","1.874","","","","has coordinates","243940","2020-10-21","18:00:00",""
"7702660","15.299","0.007","14.826","0.007","19.505","0.009","90","","106.78","0.03","90","","4236","3","299.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C39 H46 F6 N O9 P2 Rh -","- C39 H46 F6 N O9 P2 Rh -","- C156 H184 F24 N4 O36 P8 Rh4 -","4","1","","Yamamoto, Yasuhiro; Sugawara, Kenichiro; Han, Xiao-Hong","Novel single or double insertion of alkynes into rhodium‒ and iridium‒oxygen or ‒phosphorus atom bonds and transannular addition of 1-alkynes between the rhodium atom and the ipso-carbon atom of the phosphorus ligand","Journal of the Chemical Society, Dalton Transactions","2002","","2","195","","10.1039/b104811m","","","0.7107","MoKα","","","0.066","","","","0.1556","","","","","","2.296","","","","has coordinates","243940","2020-10-21","18:00:00",""
"7702718","19.181","0.004","14.374","0.004","20.233","0.004","90","","116.93","0.01","90","","4973","2","298.2","","298.2","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C18 H58 Cl6 N6 O26 Rh2 S6 -","- C18 H54 Cl6 N6 O26 Rh2 S6 -","- C72 H216 Cl24 N24 O104 Rh8 S24 -","4","1","","Hirotsu, Masakazu; Kobayashi, Atsushi; Yoshimura, Takashi; Konno, Takumi","Rhodium(iii) complexes with thiolate and thioether ligands derived from fac(S)-[Rh(aet)3] (aet = 2-aminoethanethiolate): selective formation, characterization and properties","Journal of the Chemical Society, Dalton Transactions","2002","","6","878","","10.1039/b107933f","","","0.7107","MoKα","","","0.0487","","","0.0347","","","","","1.572","1.572","","","","","has coordinates","243981","2020-10-21","18:00:00",""
"7702806","14.066","0.003","31.694","0.004","16.355","0.002","90","","91.83","0.01","90","","7287","2","294.2","","","","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C73 H70 Cl2 F8 Ir2 N2 O2 P4 S2 -","- C73 H70 Cl2 F8 Ir2 N2 O2 P4 S2 -","- C292 H280 Cl8 F32 Ir8 N8 O8 P16 S8 -","4","1","","Matsukawa, Shoji; Kuwata, Shigeki; Ishii, Youichi; Hidai, Masanobu","Coordination behaviour of (diaryl disulfide)-bridged dinuclear thiairidaindan cores: ligand substitution by isocyanides, CO, hydrazines and hydroxylamine, and related reactions","Journal of the Chemical Society, Dalton Transactions","2002","","13","2737","","10.1039/b201591a","","","0.7107","MoKα","","","0.0385","","","","0.0383","","","","","","1.385","","","","has coordinates","244020","2020-10-21","18:00:00",""
"7702809","17.012","0.001","17.596","0.001","26.692","0.002","90","","101.711","0.0008","90","","7823.7","0.9","296.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C74 H102 Cl2 Cu4 N8 O20 -","- C74 H91 Cl2 Cu4 N8 O20 -","- C296 H364 Cl8 Cu16 N32 O80 -","4","1","","Saimiya, Hiromi; Sunatsuki, Yukinari; Kojima, Masaaki; Kashino, Setsuo; Kambe, Takashi; Hirotsu, Masakazu; Akashi, Haruo; Nakajima, Kiyohiko; Tokii, Tadashi","Antiferromagnetism induced by successive protonation of terminal phenol groups of a bis(μ-phenoxide)-bridged dicopper(II,II) complex","Journal of the Chemical Society, Dalton Transactions","2002","","19","3737","3742","10.1039/B201741E","","","0.7107","MoKα","","","0.08","","","","0.197","","","","","","1.3","","","","has coordinates","275184","2022-05-07","01:34:30",""
"7702891","10.0573","0.0038","15.8424","0.006","16.3412","0.0066","90","","105.971","0.0051","90","","2503.2","1.7","153","2","153","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","data_Rubim_OH2_2","","- C21 H19 B2 F8 N7 O Ru -","- C21 H19 B2 F8 N7 O Ru -","- C84 H76 B8 F32 N28 O4 Ru4 -","4","1","","Okamura, Masaya; Yoshida, Masaki; Kuga, Reiko; Sakai, Ken; Kondo, Mio; Masaoka, Shigeyuki","A mononuclear ruthenium complex showing multiple proton-coupled electron transfer toward multi-electron transfer reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","42","13081","13089","10.1039/c2dt30773a","","","0.71073","MoKα","","0.0689","0.0609","","","0.1484","0.154","","","","","","1.154","","","","has coordinates","244220","2020-10-21","18:00:00",""
"7703409","24.1194","0.0003","9.1793","0.0001","23.3012","0.0004","90","","113.303","0.002","90","","4738.04","0.13","100.01","0.11","100.01","0.11","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H24 I Ir N2 S3 -","- C23 H24 I Ir N2 S3 -","- C184 H192 I8 Ir8 N16 S24 -","8","2","","Wang, Weiran; Lynch, Vincent M.; Guo, Hongyu; Datta, Anwesha; Jones, Richard A.","Electropolymerizable N-heterocyclic carbene complexes of Rh and Ir with enantiotropic polymorphic phases.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2264","2272","10.1039/c9dt04844h","","x-ray","1.54184","CuKα","","0.0554","0.0455","","","0.113","0.125","","","","","","1.044","","","","has coordinates,has disorder","248967","2020-10-21","18:00:00",""
"7703411","24.1194","0.0003","9.1793","0.0001","23.3012","0.0004","90","","113.303","0.002","90","","4738.04","0.13","100.01","0.11","100.01","0.11","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H24 I Ir N2 S3 -","- C23 H24 I Ir N2 S3 -","- C184 H192 I8 Ir8 N16 S24 -","8","2","","Wang, Weiran; Lynch, Vincent M.; Guo, Hongyu; Datta, Anwesha; Jones, Richard A.","Electropolymerizable N-heterocyclic carbene complexes of Rh and Ir with enantiotropic polymorphic phases.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2264","2272","10.1039/c9dt04844h","","x-ray","1.54184","CuKα","","0.0554","0.0455","","","0.1132","0.1252","","","","","","1.045","","","","has coordinates,has disorder","248967","2020-10-21","18:00:00",""
"7704617","16.781","0.0005","9.134","0.0001","21.372","0.0006","90","","95.981","0.001","90","","3258.02","0.14","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C24 H50.74 Br0.44 Cl1.56 Cu2 N12 O2.37 -","- C24 H50.748 Br0.437 Cl1.563 Cu2 N12 O2.374 -","- C96 H202.992 Br1.748 Cl6.252 Cu8 N48 O9.496 -","4","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","","0.0809","0.0457","","","0.1203","0.1346","","","","","","1.044","","","","has coordinates,has disorder","253904","2020-10-21","18:00:00",""
"7705414","17.194","0.015","8.726","0.008","19.187","0.006","90","","90.4","","90","","2879","4","293","2","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","SKR569.1","","- C24 H16 Cl2 Fe N12 O8 -","- C24 H16 Cl2 Fe N12 O8 -","- C96 H64 Cl8 Fe4 N48 O32 -","4","1","","Senthil Kumar, Kuppusamy; Del Giudice, Nicolas; Heinrich, Benoît; Douce, Laurent; Ruben, Mario","Bistable spin-crossover in a new series of [Fe(BPP-R)<sub>2</sub>]<sup>2+</sup> (BPP = 2,6-bis(pyrazol-1-yl)pyridine; R = CN) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14258","14267","10.1039/d0dt02214d","","","0.71073","MoKα","","0.1511","0.0742","","","0.1754","0.21","","","","","","1.028","","","","has coordinates","258847","2020-11-06","12:17:35",""
"7705590","7.8431","0.0006","23.827","0.002","8.7706","0.0007","90","","114.206","0.009","90","","1494.9","0.2","93","2","93","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H14 Cl N3 -","- C18 H15 Cl N3 -","- C72 H60 Cl4 N12 -","4","1","","Longevial, Jean-François; Miyagawa, Kazuya; Shinokubo, Hiroshi","Site-selective halogenation on <i>meso</i>-mesityl substituents of 10,20-dimesityl-5,15-diazaporphyrins with an AuX<sub>3</sub>/AgOTf combination.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14786","14789","10.1039/d0dt02727h","","","0.71073","MoKα","","0.1246","0.1135","","","0.2103","0.2151","","","","","","1.173","","","","has coordinates,has disorder","258804","2020-11-06","12:02:11",""
"7705748","18.644","0.0006","31.025","0.0008","19.489","0.0007","90","","110.134","0.001","90","","10584.1","0.6","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C51 H47.5 F6 N2 O8.25 P3 Ru -","- C51 H47.5 F6 N2 O8.25 P3 Ru -","- C408 H380 F48 N16 O66 P24 Ru8 -","8","2","","Graminha, Angelica E.; Honorato, João; Correa, Rodrigo S.; Cominetti, Marcia R.; Menezes, Antônio C S; Batista, Alzir A.","A novel ruthenium(ii) gallic acid complex disrupts the actin cytoskeleton and inhibits migration, invasion and adhesion of triple negative breast tumor cells.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","323","335","10.1039/d0dt03490h","","x-ray","0.71073","MoKα","","0.1657","0.078","","","0.1946","0.2515","","","","","","0.967","","","","has coordinates,has disorder","261647","2021-02-04","23:09:42",""
"7707065","9.39192","0.00024","23.4056","0.0006","10.51984","0.00025","90","","95.5626","0.0019","90","","2301.62","0.1","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 Co4 O24 P4 -","- C36 Co4 O24 P4 -","- C72 Co8 O48 P8 -","2","0.5","","Bazaga-García, Montse; Vílchez-Cózar, Álvaro; Maranescu, Bianca; Olivera-Pastor, Pascual; Marganovici, Marko; Ilia, Gheorghe; Cabeza Díaz, Aurelio; Visa, Aurelia; Colodrero, Rosario M. P.","Synthesis and electrochemical properties of metal(ii)-carboxyethylphenylphosphinates.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6539","6548","10.1039/d1dt00104c","powder diffraction","x-ray","0.4124","synchrotron","","","","","","","","0.15531","","11.53","","","","","","","has coordinates","266017","2021-06-05","18:34:58",""
"7707130","7.49473","0.00006","9.0296","0.00009","7.87213","0.00007","90","","113.65","0.0004","90","","487.997","0.008","295","","295","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Mg(SCN)2 4H2O","","?MgSCN2-4H2O?","- C2 H8 Mg N2 O4 S2 -","- C2 Mg N2 O4 S2 -","- C4 Mg2 N4 O8 S4 -","2","0.5","","Joos, Markus; Conrad, Maurice; Merkle, Rotraut; Schleid, Thomas; Maier, Joachim; Dinnebier, Robert E.; Bette, Sebastian","Synthesis, characterization and thermal behaviour of solid phases in the quasi-ternary system Mg(SCN)<sub>2</sub>-H<sub>2</sub>O-THF.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6949","6961","10.1039/d1dt00469g","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.0198","","","","","","","","","has coordinates","266033","2021-06-05","18:38:48",""
"7707132","10.5624","0.0004","15.0999","0.0005","7.8918","0.0002","90","","96.5777","0.0014","90","","1250.39","0.07","433","","433","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","beta 4THF Mg(SCN)","","","- C18 H32 Mg N2 O4 S2 -","- C18 Mg N2 O4 S2 -","- C36 Mg2 N4 O8 S4 -","2","0.5","","Joos, Markus; Conrad, Maurice; Merkle, Rotraut; Schleid, Thomas; Maier, Joachim; Dinnebier, Robert E.; Bette, Sebastian","Synthesis, characterization and thermal behaviour of solid phases in the quasi-ternary system Mg(SCN)<sub>2</sub>-H<sub>2</sub>O-THF.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6949","6961","10.1039/d1dt00469g","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.0359","","","","","","","","","has coordinates","266033","2021-06-05","18:38:48",""
"7708273","21.2707","0.0011","23.0586","0.0012","31.8123","0.0019","90","","93.226","0.004","90","","15578.3","1.5","150","2","150.03","","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C154 H146 B4 Cl8 F16 N8 O2 P8 Pd4 -","- C152 H138 B2 Cl4 F8 N8 P8 Pd4 -","- C608 H552 B8 Cl16 F32 N32 P32 Pd16 -","4","1","","Alves, Kamilla; Honorato, João; Lião, Luciano Morais; Velozo-Sá, Vivianne de Souza; Pereira Mundim Guedes, Adriana; Dutra, Jocely de Lucena; Ayala, Alejandro Pedro; Ellena, Javier A.; Batista, Alzir A.; Gonçalves, Pablo José","Meso-tetra-(4-pyridyl)porphyrin/Palladium(II) Complexes as Anticancer Agents","Dalton Transactions","2021","","","","","10.1039/D1DT01850G","","x-ray","1.54178","CuKα","","0.1951","0.1466","","","0.3819","0.4253","","","","","","1.4768","","","","has coordinates","269094","2021-09-10","22:58:58",""
"7708873","12.864","0.004","9.016","0.003","15.507","0.005","90","","95.242","0.004","90","","1791","1","143","2","143","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C40 H48 B2 F2 N4 O4 -","- C40 H48 B2 F2 N4 O4 -","- C80 H96 B4 F4 N8 O8 -","2","0.5","","Nakamura, Masashi; Gon, Masayuki; Natsuda, Shin-Ichiro; Tamai, Yasunari; Ohkita, Hideo; Tanaka, Kazuo; Chujo, Yoshiki","Development of NIR emissive fully-fused bisboron complexes with π-conjugated systems including multiple azo groups.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","74","84","10.1039/d1dt03652a","","","0.71075","MoKα","","0.0918","0.0618","","","0.1137","0.1268","","","","","","1.118","","","","has coordinates","272646","2022-02-04","19:30:27",""
"7710547","15.8176","0.0008","9.3483","0.0004","18.1721","0.0009","90","","110.406","0.002","90","","2518.4","0.2","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C22 H37 Cl Ir N2 P Si -","- C22 H37 Cl Ir N2 P Si -","- C88 H148 Cl4 Ir4 N8 P4 Si4 -","4","1","","Komuro, Takashi; Mochizuki, Daiki; Hashimoto, Hisako; Tobita, Hiromi","Iridium and rhodium complexes bearing a silyl-bipyridine pincer ligand: synthesis, structures and catalytic activity for C–H borylation of arenes","Dalton Transactions","2022","","","","","10.1039/D2DT01227H","","","0.71073","MoKα","","0.0314","0.0298","","","0.0747","0.0759","","","","","","1.112","","","","has coordinates","276206","2022-06-23","23:06:19",""
"7711752","14.2842","0.0016","14.4067","0.0008","15.4064","0.0012","90","","102.516","0.008","90","","3095.1","0.5","230","","230","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C35 H32 N2 P2 Pd S -","- C35 H32 N2 P2 Pd S -","- C140 H128 N8 P8 Pd4 S4 -","4","1","","Hogarth, Graeme; Al-Jibori, Subhi A.; Al-Janabi, Ahmed; Irzoqi, Ahmed A.; Basak-Modi, Sucharita; Orton, Georgia; Ghosh, Shishir; Wagner, Christoph; Abdullah, Ali I. A.","Palladium(II) ortho-cyano-aminothiophenolate (ocap) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02681C","","","0.71073","MoKα","","0.1483","0.0577","","","0.1029","0.1342","","","","","","0.914","","","","has coordinates","279239","2022-11-12","00:03:19",""
"7715483","17.214","0.0002","13.088","0.0002","18.465","0.0003","90","","103.181","0.001","90","","4050.51","0.1","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C35 H60 B10 Ca N2 O -","- C35 H60 B10 Ca N2 O -","- C140 H240 B40 Ca4 N8 O4 -","4","1","","Pearce, Kyle G.; Morris, Louis J.; Robinson, Thomas P.; Johnson, Andrew L.; Mahon, Mary F.; Hill, Michael S.","From alkaline earth to coinage metal carboranyls.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6653","6659","10.1039/d4dt00478g","","","0.71073","MoKα","","0.0978","0.0867","","","0.1932","0.1986","","","","","","1.2","","","","has coordinates,has disorder","291648","2024-05-05","03:07:31",""
"7716980","7.7894","0.0002","21.8151","0.0006","10.1789","0.0003","90","","98.8","0.001","90","","1709.3","0.08","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","GdF4BDC","","- C15 H8 F6 Gd N O8 -","- C15 H8 F6 Gd N O8 -","- C60 H32 F24 Gd4 N4 O32 -","4","1","","Trovarelli, Letizia; Mirarchi, Alessandra; Arcuri, Cataldo; Bruscoli, Stefano; Bereshchenko, Oxana; Febo, Marta; Carniato, Fabio; Costantino, Ferdinando","Relaxometric properties and biocompatibility of a novel nanostructured fluorinated gadolinium metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15937","15945","10.1039/d4dt02134g","","","0.71073","MoKα","","0.0298","0.0247","","","0.0549","0.0577","","","","","","1.111","","","","has coordinates","295993","2024-11-19","10:16:58",""
"7717566","4.5772","0.0002","18.3853","0.001","8.1572","0.0004","90","","95.268","0.002","90","","683.55","0.06","160","2","160","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H14 N4 O4 Pd -","- C12 H14 N4 O4 Pd -","- C24 H28 N8 O8 Pd2 -","2","0.5","","Pantelis, Konstantinos; Raptopoulou, Catherine; Psycharis, Vassilis; Tang, Jinkui; Stamatatos, Theocharis C.","Square planar Pd(II)/oximate complexes as ‘metalloligands’ for the directional assembly of 4f-metal ions: A new family of {Ln2Pd} (Ln = lanthanide) clusters exhibiting slow magnetization relaxation","Dalton Transactions","2024","","","","","10.1039/D4DT02691H","","","0.71073","MoKα","","0.0334","0.0206","","","0.0453","0.0492","","","","","","1.024","","","","has coordinates,has disorder","296104","2024-11-25","23:52:07",""
"8000051","10.09","0.002","14.549","0.004","6.27","0.003","90","","109.53","0.02","90","","867.5","0.6","200","2","200","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C2 H2 Ca O4 -","- C2 Ca O5 -","- C16 Ca8 O40 -","8","2","","Makoto Tadokoro; Yoshiki Ozawa; Minoru Mitsumi; Kohshiro Toriumi; Tetsuya Ogura","Raphide Crystal Structure in Agave Tequilana Determined by X-ray Originating from Synchrotron Radiation","Chemistry Letters","2005","34","2","236","","10.1246/cl.2005.236","","","0.6165","","","0.1588","0.0772","","","0.201","0.2379","","","","","","0.871","","","","has coordinates","208205","2020-10-21","18:00:00",""
"8000059","14.867","0.001","10.589","0.001","9.096","0.0006","90","","91.013","0.007","90","","1431.73","0.19","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H13 Cl Ge O2 -","- C16 H13 Cl Ge O2 -","- C64 H52 Cl4 Ge4 O8 -","4","1","","Makoto Yamashita; Hiromi Murakami; Toshifumi Unrin-in; Atsushi Kawachi; Kin-ya Akiba; Yohsuke Yamamoto","Synthesis and Structure of a Germylene Bearing a 1,8-Dimethoxyanthracene Ligand","Chemistry Letters","2005","34","5","690","","10.1246/cl.2005.690","","","0.71069","MoKα","","0.1299","0.0625","","","0.1786","0.2199","","","","","","1.198","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000109","11.014","0.009","6.651","0.004","12.73","0.012","90","","97.37","0.04","90","","924.8","1.3","296.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H28 N2 -","- C18 H28 N2 -","- C36 H56 N4 -","2","0.5","","Ohashi, Maki; Maeda, Hajime; Mizuno, Kazuhiko","Catalytic Ability of 9-Cyanophenanthrene in Oxidative Photodimerization of 2,5-Dimethyl-2,4-hexadiene","Chemistry Letters","2006","35","5","482","","10.1246/cl.2006.482","","","0.71075","MoKα","","","0.0703","","","","0.0682","","","","","","3.36","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100127","7.909","0.01","8.366","0.003","16.552","0.003","90","","98.23","0.06","90","","1083.9","1.1","296","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H14 N O4 P -","- C8 H14 N O4 P -","- C32 H56 N4 O16 P4 -","4","1","","Smirani, Wajda; Rzaigui, Mohamed","Crystal structure of 3,4-dimethylanilinium dihydrogenphosphate, [(CH~3~)~2~C~6~H~3~NH~3~]H~2~PO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","263","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100259","21.984","0.007","25.643","0.008","23.102","0.007","90","","114.54","0.03","90","","11847","6","110","2","110","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C91 H89 Cl28 O12 P6 Ru2 -","- C91 H89 Cl28 O12 P6 Ru2 -","- C364 H356 Cl112 O48 P24 Ru8 -","4","1","","Tinant, B.; Duliere, E.; Devillers, M.; Marchand-Brynaert, J.","Crystal structure of dichloro-[1-diphenylphosphinyloxy-2,2-bis(diphenyl- phosphinyloxymethyl)propane]ruthenium(II) solvate, C~82~H~78~Cl~4~O~6~P~6~Ru~2~ · 8CHCl~3~ · CH~3~OH · 5H~2~O, a novel tridentate phosphinite-Ru complex used as a model of heterogenized oxidation catalyst","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","1","59","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","201213","2020-10-21","18:00:00",""
"8100265","9.5162","0.0006","16.0013","0.0009","17.8001","0.0008","90","","102.883","0.006","90","","2642.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H32 N2 O5 -","- C28 H32 N2 O5 -","- C112 H128 N8 O20 -","4","1","","Sobarzo-Sánchez, Eduardo; Cassels, Bruce K.; Castedo, Luis; Valencia-Matarranz, Laura","Crystal structure of 2-[(3,4-dimethoxy)-phenethyl-3-(3,4-dimethoxy)- phenethylamino]-2,3-dihydro-isoindol-1-one, C~28~H~32~N~2~O~5~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","1","79","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100352","7.0845","0.0012","18.587","0.003","9.08","0.002","90","","95.3","0.02","90","","1190.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Sobarzo-Sánchez, Eduardo; Cassels, Bruce K.; Castedo, Luis; Valencia-Matarranz, Laura; Pérez-Lourido, Paulo","Crystal structure of 2,3,8,9,10,11-hexahydro-7H-dibenzo[de,h]quinolin- 7-one, C~16~H~15~NO","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","2","177","178","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176466","2020-10-21","18:00:00",""
"8100409","9.3523","0.0014","12.6259","0.0016","6.36","0.0011","90","","105.195","0.012","90","","724.74","0.19","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","rubidium hexa-aquazinc(II) selenate","","","- H12 O14 Rb2 Se2 Zn -","- H12 O14 Rb2 Se2 Zn -","- H24 O28 Rb4 Se4 Zn2 -","2","0.5","","Euler, H.; Barbier, B.; Meents, A.; Kirfel, A.","Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SeO~4~)~2~, M^II^ = Mg, Co, Mn, Zn","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","3","265","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100421","9.401","0.001","12.658","0.002","6.339","0.001","90","","105.25","0.01","90","","727.77","0.18","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","rubidium hexa-aquamagnesium(II) selenate","","","- H12 Mg O14 Rb2 Se2 -","- H12 Mg O14 Rb2 Se2 -","- H24 Mg2 O28 Rb4 Se4 -","2","0.5","","Euler, H.; Barbier, B.; Meents, A.; Kirfel, A.","Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SeO~4~) ~2~, M^II^ = Mg, Co, Mn, Zn","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","3","265","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100422","9.3628","0.0011","12.6176","0.0012","6.3562","0.0007","90","","105.238","0.009","90","","724.5","0.14","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","rubidium hexa-aquacobalte(II) selenate","","","- Co H12 O14 Rb2 Se2 -","- Co H12 O14 Rb2 Se2 -","- Co2 H24 O28 Rb4 Se4 -","2","0.5","","Euler, H.; Barbier, B.; Meents, A.; Kirfel, A.","Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SeO~4~)~2~, M^II^ = Mg, Co, Mn, Zn","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","3","265","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100423","9.4496","0.0008","12.7603","0.0013","6.3794","0.0007","90","","105.189","0.007","90","","742.35","0.13","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","rubidium hexa-aquamanganese(II) selenate","","","- H12 Mn O14 Rb2 Se2 -","- H12 Mn O14 Rb2 Se2 -","- H24 Mn2 O28 Rb4 Se4 -","2","0.5","","Euler, H.; Barbier, B.; Meents, A.; Kirfel, A.","Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SeO~4~)~2~, M^II^ = Mg, Co, Mn, Zn","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","3","265","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100506","9.338","0.002","12.849","0.004","6.361","0.002","90","","107.07","0.02","90","","729.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cs2 H12 Mg O14 S2 -","- Cs2 H12 Mg O14 S2 -","- Cs4 H24 Mg2 O28 S4 -","2","0.5","","Euler, H.; Barbier, B.; Meents, A.; Kirfel, A.","Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SO~2~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","409","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100507","9.418","0.003","12.963","0.002","6.386","0.003","90","","107.17","0.04","90","","744.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cs2 H12 Mn O14 S2 -","- Cs2 H12 Mn O14 S2 -","- Cs4 H24 Mn2 O28 S4 -","2","0.5","","Euler, H.; Barbier, B.; Meents, A.; Kirfel, A.","Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SO~2~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","409","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100508","9.357","0.002","12.886","0.002","6.381","0.001","90","","106.94","0.01","90","","736","0.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cs2 Fe H12 O14 S2 -","- Cs2 Fe H12 O14 S2 -","- Cs4 Fe2 H24 O28 S4 -","2","0.5","","Euler, H.; Barbier, B.; Meents, A.; Kirfel, A.","Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SO~2~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","409","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100509","9.3182","0.0013","12.826","0.003","6.365","0.0009","90","","107.13","0.012","90","","727","0.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Co Cs2 H12 O14 S2 -","- Co Cs2 H12 O14 S2 -","- Co2 Cs4 H24 O28 S4 -","2","0.5","","Euler, H.; Barbier, B.; Meents, A.; Kirfel, A.","Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SO~2~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","409","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100510","9.259","0.002","12.767","0.002","6.358","0.001","90","","107","0.02","90","","718.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cs2 H12 Ni O14 S2 -","- Cs2 H12 Ni O14 S2 -","- Cs4 H24 Ni2 O28 S4 -","2","0.5","","Euler, H.; Barbier, B.; Meents, A.; Kirfel, A.","Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SO~2~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","409","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100511","9.314","0.002","12.817","0.002","6.369","0.002","90","","106.94","0.02","90","","727.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cs2 H12 O14 S2 Zn -","- Cs2 H12 O14 S2 Zn -","- Cs4 H24 O28 S4 Zn2 -","2","0.5","","Euler, H.; Barbier, B.; Meents, A.; Kirfel, A.","Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SO~2~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","409","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100515","9.5128","0.001","13.0372","0.0014","6.473","0.0008","90","","106.244","0.008","90","","770.74","0.15","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Caesium Hexa-Aquamagnesium(II) Selenate","","","- Cs2 H12 Mg O14 Se2 -","- Cs2 H12 Mg O14 Se2 -","- Cs4 H24 Mg2 O28 Se4 -","2","0.5","","Euler, H.; Barbier, B.; Meents, A.; Kirfel, A.","Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SeO~2~) ~2~, M^II^ = Mg, Mn, Co, Ni, Zn","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","405","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100516","9.5914","0.0013","13.141","0.0018","6.504","0.0009","90","","106.38","0.011","90","","786.5","0.19","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cs2 H12 Mn O14 Se2 -","- Cs2 H12 Mn O14 Se2 -","- Cs4 H24 Mn2 O28 Se4 -","2","0.5","","Euler, H.; Barbier, B.; Meents, A.; Kirfel, A.","Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SeO~2~) ~2~, M^II^ = Mg, Mn, Co, Ni, Zn","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","405","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100517","9.4936","0.001","13.009","0.0013","6.4833","0.0008","90","","106.239","0.009","90","","768.76","0.15","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Co Cs2 H12 O14 Se2 -","- Co Cs2 H12 O14 Se2 -","- Co2 Cs4 H24 O28 Se4 -","2","0.5","","Euler, H.; Barbier, B.; Meents, A.; Kirfel, A.","Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SeO~2~) ~2~, M^II^ = Mg, Mn, Co, Ni, Zn","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","405","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100518","9.426","0.003","12.961","0.002","6.4731","0.0019","90","","106.17","0.02","90","","759.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cs2 H12 Ni O14 Se2 -","- Cs2 H12 Ni O14 Se2 -","- Cs4 H24 Ni2 O28 Se4 -","2","0.5","","Euler, H.; Barbier, B.; Meents, A.; Kirfel, A.","Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SeO~2~) ~2~, M^II^ = Mg, Mn, Co, Ni, Zn","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","405","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100519","9.4832","0.0013","13.0046","0.0015","6.485","0.0008","90","","106.155","0.01","90","","768.18","0.17","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cs2 H12 O14 Se2 Zn -","- Cs2 H12 O14 Se2 Zn -","- Cs4 H24 O28 Se4 Zn2 -","2","0.5","","Euler, H.; Barbier, B.; Meents, A.; Kirfel, A.","Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SeO~2~) ~2~, M^II^ = Mg, Mn, Co, Ni, Zn","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","405","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100547","16.088","0.002","12.722","0.001","20.093","0.002","90","","94.12","0.01","90","","4101.8","0.7","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H42 Al Br9 N6 O6 -","- C18 H42 Al Br9 N6 O6 -","- C72 H168 Al4 Br36 N24 O24 -","4","1","","Bekaert, A.; Barberan, O.; Kaloun, E. B.; Rabhi, C.; Danan, A.; Brion, J. D.; Lemoine, P.; Viossat, B.","Crystal structure of hexakis(N,N-dimethylformamide-O)aluminium(III) tris(tribromide), Al[(CH~3~)~2~N(CH)O]~6~(Br~3~)~3~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","1","128","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100619","13.526","0.002","13.927","0.002","13.559","0.002","90","","104.678","0.007","90","","2470.9","0.6","93.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C32 H18 Mg N8 O -","- C32 H18 Mg N8 O -","- C128 H72 Mg4 N32 O4 -","4","1","","Mizuguchi, Jin","Crystal structure of aquamagnesiumphthalocyanine, (C~32~H~16~N~8~) Mg(H~2~O)","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","2","251","252","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100633","6.286","0.004","19.268","0.005","11.06","0.002","90","","91.84","0.05","90","","1338.9","0.7","296","","296.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H16 N4 O S -","- C13 H16 N4 O S -","- C52 H64 N16 O4 S4 -","4","1","","Dridi, Khaireddine; Rzaigui, Mohamed; Zantour, Hedi","Crystal structure of 5-ethyl-3-hydroxy-9-tert-butylthieno[3,2-e]-1, 2,4-triazolo[2,3-c]pyrimidine, C~13~H~16~N~4~OS","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","2","275","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100706","5.9054","0.001","31.84","0.004","8.743","0.002","90","0.01","104.504","0.01","90","0.01","1591.6","0.5","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","1","","Rademacher, O.; Zimmer, R.; Dinesh, C.U.; Reißig, H.-U.","Crystal structure of methyl 4aSR,5RS,12aRS-12a-hydroxy-1,2,3,4,4a, 5,6,11,12,12a-decahydro-dibenzo[a,e][8]annulene-5-carboxylate, C~18~H~24~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","3","423","424","","","","","","","","","","","","","","","","","","","","","","has coordinates","176343","2020-10-21","18:00:00",""
"8100760","13.0971","0.0016","12.0954","0.0016","13.577","0.004","90","0.016","96.62","0.017","90","0.011","2136.5","0.7","295","2","295","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C20 H26 B Br F2 N2 O2 -","- C20 H26 B Br F2 N2 O2 -","- C80 H104 B4 Br4 F8 N8 O8 -","4","1","","Euler, H.; Kirfel, A.; Freudenthal, S.J.; Müller, C.E.","Crystal structure of 4-bromobutyric acid 3-((4,4-difluoro-1,3,5,7-tetramethyl- 4-bora-3a,4a-diaza-s-indacen)-8-yl)propyl ester, C~20~H~26~BBrF~2~N~2~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","541","542","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100836","7.066","0.009","21.069","0.005","7.663","0.001","90","","93.69","0.01","90","","1138.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","8-chloro-10,10-dioxo-5H-pyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-one","","- C11 H7 Cl N2 O3 S -","- C11 H7 Cl N2 O3 S -","- C44 H28 Cl4 N8 O12 S4 -","4","1","","Ettorre, Alessandro; Sivestri, Romano; Artico, Marino; Massa, Silvio; La Colla, Paolo","Crystal structure of 7-chloropyrrolo[1,2-b][1,2,5]benzothiadiazepin-10(11H)-one-5,5-dioxide, C~11~H~7~N~2~O~3~ClS","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","57","58","10.1524/ncrs.2001.216.14.57","","","","","","","0.049","","","0.06","","","","","","","","","","","has coordinates","205817","2020-10-21","18:00:00",""
"8100842","14.975","0.002","10.908","0.002","26.307","0.002","90","","94.387","0.008","90","","4284","1","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1,19(1,2,3)10,28(1,2)-tetrabenzena-3,6,9,11,14,17,21,24,27,29,32,35-dodecaoxa- 37,38-dithiabicyclo[17.17.2]hexatriacontaphan","","","- C44 H54 O12 S2 -","- C44 H54 O12 S2 -","- C176 H216 O48 S8 -","4","1","","Nabeshima, T.; Nishida, D.; Horn, E.","Crystal structure of 1,19(1,3,2),10,28(1,2)-tetrabenzena3,6,9,11,14, 17,21,24,27,29,32,35-dodecaoxa-37,38-dithiobicyclo [17.17.2]hexatriacontaphane, C~44~H~54~O~12~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","80","82","","","","","","","","0.0537","","","0.0503","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100953","12.856","0.001","16.726","0.002","16.268","0.001","90","","96.55","0.01","90","","3475.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C36 H42 Cu N2 O6 -","- C36 H42 Cu N2 O6 -","- C144 H168 Cu4 N8 O24 -","4","1","","Lemoine, Pascale; Tomas, Alain; Nguyen-Huy, Dung; Viossat, Bernard","Crystal structure of bis[3,5-diisopropylsalicylato](2,2'-bipyridyl)- copper(II), C~36~H~42~CuN~2~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","280","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101000","18.971","0.002","4.916","0.003","14.401","0.002","90","","119.89","0.009","90","","1164.3","0.6","273","","273","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Magnesiumphthalocyanine","","","- C32 H16 Mg N8 -","- C32 H16 Mg N8 -","- C64 H32 Mg2 N16 -","2","0.5","","Mizuguchi, Jin","Crystal structure of magnesiumphthalocyanine, C~32~H~16~N~8~Mg","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","377","378","","","","","","","","0.0469","","","0.0699","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101117","7.1669","0.0002","12.336","0.001","9.481","0.002","90","","110.96","0.01","90","","782.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H24 Cu N2 O8 -","- C12 H24 Cu N2 O8 -","- C24 H48 Cu2 N4 O16 -","2","0.5","","Krimi Ammar, Mehrzia; Ben Amor, Fatma; Driss, Ahmed; Jouini, Tahar","Refinement of the crystal structure of di(acetatodiethanolamin)copper (II) complex, Cu[N(CH~2~COO)(CH~2~CH~2~OH)~2~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","631","632","","","","","","","","0.0267","","","0.0783","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8101197","13.117","0.002","8.736","0.001","22.362","0.003","90","","101.36","0.02","90","","2512.3","0.6","300","2","300","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C23 H44 O5 Si -","- C23 H44 O5 Si -","- C92 H176 O20 Si4 -","4","1","","Wittenberg, J.; Wartchow, Rudolf; Hoffmann, H. M. R.","Crystal structure of 1,8-dimethyl-7α-methoxy-10α-(triisopropylsilyloxy)- (2β)-12-oxatricyclo[6.3.1.0^2,7^]dodecane-3β,4α- diol, [(C~3~H~7~)~3~SiO](CH~3~)~2~(OH)~2~(OCH~3~)(C~11~H~12~O)","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","153","154","","","","","","","","0.0597","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101270","12.267","0.001","11.548","0.001","13.242","0.001","90","","91.13","0.01","90","","1875.3","0.2","569.2","","569.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H22 O3 S2 Si2 -","- C14 H22 O3 S2 Si2 -","- C56 H88 O12 S8 Si8 -","4","1","","Zhang, S.-Z.; Sato, S.; Horn, E.; Furukawa, Naomichi","Crystal structure of 1-oxa-6-thia-7,10-bis(trimethylsilyl)-11-sulfoxide- spiro[4.4.5]undeca-3,8-dien-2-one, C~14~H~22~O~3~S~2~Si~2~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","3","359","360","","","","","","","","0.0337","","","0.0356","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101340","15.944","0.002","26.895","0.004","13.359","0.002","90","","100.45","0.05","90","","5633.5","1.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","phtalimido-spirophosphoran","","","- C62 H60 N2 P2 -","- C31 H30 N0.5 O7.5 P -","- C248 H240 N4 O60 P8 -","8","2","","Neuman, Alain; Leroux, Yves; El Manouni, Driss; Prangé, Thierry","Crystal structure of 9-benzoyl-5-methoxy-7-phenyl-7-phthalimido-2, 2,3,3-tetramethyl-1,4,6-trioxa-5-phospha(V)spiro[4.4]non-8-en, C~62~H~60~N~2~O~14~P~2~ and of dimethyl 3-(4,4,4',4',5,5,5',5'-octamethyl-1,1',3,3'-tetraoxa-2-phospha(V)-spiro[4.4] nonanyl)-2(N,N-dimethyl)succinate), C~20~H~38~NO~8~P, two tetraoxaspiro-phosphorane(V) intermediates","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","539","543","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176466","2020-10-21","18:00:00",""
"8101352","11.886","0.004","10.672","0.004","12.198","0.009","90","","106.06","0.04","90","","1486.9","1.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H17 N3 O2 -","- C15 H17 N3 O2 -","- C60 H68 N12 O8 -","4","1","","Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.","Crystal structure of N,N'-diphenylguanidinium acetate, C~13~H~14~N~3~ ^+^C~2~H~3~O~2~^‒^","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","579","580","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101393","9.226","0.002","12.472","0.002","6.217","0.002","90","","105.982","0.01","90","","687.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- H12 Mg O14 Rb2 S2 -","- H12 Mg O14 Rb2 S2 -","- H24 Mg2 O28 Rb4 S4 -","2","0.5","","Euler, H.; Barbier, B.; Klumpp, S.; Kirfel, A.","Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SO~4~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","473","476","","","","","","","","0.0221","","","0.043","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101394","9.282","0.002","12.6","0.002","6.254","0.002","90","","105.94","0.02","90","","703.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- H12 Mn O14 Rb2 S2 -","- H12 Mn O14 Rb2 S2 -","- H24 Mn2 O28 Rb4 S4 -","2","0.5","","Euler, H.; Barbier, B.; Klumpp, S.; Kirfel, A.","Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SO~4~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","473","476","","","","","","","","0.018","","","0.0364","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101395","9.224","0.002","12.51","0.003","6.2551","0.001","90","","105.75","0.02","90","","694.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Fe H12 O14 Rb2 S2 -","- Fe H12 O14 Rb2 S2 -","- Fe2 H24 O28 Rb4 S4 -","2","0.5","","Euler, H.; Barbier, B.; Klumpp, S.; Kirfel, A.","Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SO~4~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","473","476","","","","","","","","0.0215","","","0.0478","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101396","9.197","0.002","12.446","0.002","6.2364","0.001","90","","106.041","0.01","90","","686.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Co H12 O14 Rb2 S2 -","- Co H12 O14 Rb2 S2 -","- Co2 H24 O28 Rb4 S4 -","2","0.5","","Euler, H.; Barbier, B.; Klumpp, S.; Kirfel, A.","Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SO~4~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","473","476","","","","","","","","0.0178","","","0.0374","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101397","9.131","","12.41","","6.221","","90","","106.06","","90","","677.5","","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- H12 Ni O14 Rb2 S2 -","- H12 Ni O14 Rb2 S2 -","- H24 Ni2 O28 Rb4 S4 -","2","0.5","","Euler, H.; Barbier, B.; Klumpp, S.; Kirfel, A.","Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SO~4~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","473","476","","","","","","","","0.0174","","","0.0404","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101398","9.179","0.003","12.441","0.004","6.239","0.002","90","","105.93","0.03","90","","685.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- H12 O14 Rb2 S2 Zn -","- H12 O14 Rb2 S2 Zn -","- H24 O28 Rb4 S4 Zn2 -","2","0.5","","Euler, H.; Barbier, B.; Klumpp, S.; Kirfel, A.","Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SO~4~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","473","476","","","","","","","","0.0175","","","0.0393","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101576","11.833","0.001","6.681","0.001","12.396","0.001","90","","93.682","0.01","90","","978","0.2","296.2","","296.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H24 Mg N2 O14 -","- C12 H24 Mg0.5 N2 O14 -","- C24 H48 Mg N4 O28 -","2","0.5","","Muthuraman, Meiyappan; Bordet, Pierre; Le Fur, Yvette","Crystal structure of hexaaquamagnesium bis(p-nitrophenolate) dihydrate, Mg(H~2~O)~6~(O~2~NC~6~H~4~O)~2~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","527","528","","","","","","","","0.029","","","0.044","","","","","","","","","","","has coordinates","193981","2020-10-21","18:00:00",""
"8101646","9.246","0.001","12.879","0.001","13.404","0.003","90","","106.66","0.01","90","","1529.1","0.4","","","191","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H16 I2 O3 -","- C13 H16 I2 O3 -","- C52 H64 I8 O12 -","4","1","","Zukerman-Schpector, J.; Stefani, A. Helio; Valduga, Claudéte I.; Brandt, Carlos A.; Caracelli, I.","Crystal structure of 5-(iodomethyl)-3-(5-iodo-7-oxabicyclo[4.3.0]non- 8-ylidene)oxolan-2-one, C~13~H~16~I~2~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","1998","213","4","733","734","","","","","","","","0.0565","","","0.1274","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101652","21.741","0.004","7.584","0.002","8.802","0.002","90","","97.3","0.03","90","","1439.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Aldoshin, Sergei; Chuev, Igor; Filipenko, Olga; Lokshin, Vladimir; Guglielmetti, Robert; Pèpe, Gérard","Crystal structure of 8-methyl-8-phenyl-[8<i>H</i>]-pyrano[3,2-<i>f </i>]quinoline, C~19~H~15~NO","Zeitschrift für Kristallographie - New Crystal Structures","1998","213","4","743","744","","","","","","","","0.0375","","","0.1158","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101767","13.412","0.002","9.16","0.002","18.128","0.003","90","","104.41","0.01","90","","2157","0.7","296","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","tetrakis(4-methoxybenzylammonium) cyclotetraphosphate tetrahydrate","","- C32 H56 N4 O20 P4 -","- C32 H56 N4 O20 P4 -","- C64 H112 N8 O40 P8 -","2","0.5","","H. Hemissi; S. Abid; M. Rzaigui","Crystal structure of tetrakis(4-methoxybenzyl-ammonium) cyclotetraphosphate tetrahydrate, (C~8~H~12~NO)~4~[P~4~O~12~] · 4H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","265","266","","","","0.5608","AgKα","","0.0392","0.039","","0.043","","0.043","","","1.756","","","1.76","","","","has coordinates","193981","2020-10-21","18:00:00",""
"8101785","9.581","0.001","16.381","0.002","17.803","0.002","90","","100.92","0.005","90","","2743.5","0.5","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","N,N'-bis(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)-1,3-diaminopropane","","- C31 H32 N8 -","- C31 H32 N8 -","- C124 H128 N32 -","4","1","","T. Irrgang; R. Kempe","Crystal structure of N,N'-bis(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin- 7-yl)-1,3-diaminopropane, C~31~H~32~N~8~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","403","404","","","","0.71069","MoKα","","0.1118","0.0478","","","0.0971","0.1111","","","","","","0.79","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101824","7.8357","0.0008","8.2543","0.0008","14.7908","0.0015","90","","95.76","0.01","90","","951.81","0.17","293","2","295.15","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","1,2-ethylenediaminedizinc diphosphonate","","- C8 H40 N8 O24 P8 Zn8 -","- C2 H10 N2 O6 P2 Zn2 -","- C8 H40 N8 O24 P8 Zn8 -","4","1","","S. Natarajan; Yu. Prots; R. Niewa; R. Kniep","Crystal structure of 1,2-ethylenediamine-dizinc diphosphate(III), Zn~2~(C~2~H~8~N~2~)(HPO~3~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","455","456","","","","0.7107","MoKα","","0.062","0.0392","","","0.0953","0.1058","","","","","","1.118","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101913","6.3952","0.0002","11.1267","0.0003","12.0785","0.0004","90","","97.274","0.002","90","","852.56","0.05","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","1-(2-bromoethyl)-2-methyl-5-nitroimidazol","","- C6 H8 Br N3 O2 -","- C6 H8 Br N3 O2 -","- C24 H32 Br4 N12 O8 -","4","1","","Balliano, T. L.; Pereira, M. A.; De Simone, C. A.; Malta, V. R. S.; Velasquez, N.; Cioletti, A. G.; Goulart, M. O. F.","Crystal structure of 1-(2-bromoethyl)-2-methyl-5-nitroimidazole, C~6~H~8~BrN~3~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","49","50","","","","0.71073","MoKα","","0.0541","0.0466","","","0.1222","0.1281","","","","","","1.083","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101983","12.16","0.0003","9.0848","0.0003","13.2123","0.0004","90","","104.822","0.0016","90","","1411.01","0.07","200","0.1","200","0.1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","bis(6,6-dimethylcyclohexadienyl)vanadium","","- C16 H22 V -","- C16 H22 V -","- C64 H88 V4 -","4","1","","Ernst, R. D.; Basta, R.; Arif, A. M.","Crystal structure of bis(6,6-dimethylcyclohexadienyl)vanadium, V(C~8~H~11~) ~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","289","290","","","","0.71073","MoKα","","0.0741","0.0464","","","0.0976","0.1098","","","","","","1.034","","","","has coordinates","296806","2024-12-09","16:06:24",""
"8101992","10.787","0.001","10.3955","0.0009","10.888","0.001","90","","108.928","0.005","90","","1154.92","0.18","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-phenylsulfinyl-cyclohexanone","","- C12 H14 O2 S -","- C12 H14 O2 S -","- C48 H56 O8 S4 -","4","1","","Zukerman-Schpector, J.; Oliveira da Silva, R.; Olivato, P. R.; Vinhato, E.; Rodrigues, A.; Cerqueira, Jr., C. R.","Crystal structure of 2-phenylsulfinyl-cyclohexanone, C~12~H~14~O~2~S","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","311","312","","","","0.71073","MoKα","","0.1744","0.0468","","","0.1074","0.142","","","","","","0.951","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102198","10","0.001","18.713","0.001","19.07","0.001","90","","101.06","0.01","90","","3502.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","hexaquis(4-fluorophenylethylammonium)decavanadate(V) tetrahydrate","","- C48 H74 F6 N6 O32 V10 -","- C48 H70 F6 N6 O32 V10 -","- C96 H140 F12 N12 O64 V20 -","2","0.5","","Francesc Yraola; Fernando Albericio; Miriam Royo; Xavier Solans","Crystal structure of hexakis(4-fluorophenylethylammonium)decavanadate(V) tetrahydrate, (C8H11FN)6[V10O28] · 4H2O","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","1","45","","","","","0.71073","MoKα","","0.0454","0.0323","","","0.0717","0.0798","","","","","","1.18","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102248","18.2222","0.0013","12.956","0.0009","27.1992","0.0013","90","0.001","94.449","0.003","90","0.003","6402","0.7","173","2","293","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","1^4^,1^6^,3^4^,3^6^,5^4^,5^6^,7^4^,7^6^-octakis(trimethylsilyloxy)- 1,3,5,7(1,3)tetrabenzenacyclooctaphane","","- C52 H88 O8 Si8 -","- C52 H88 O8 Si8 -","- C208 H352 O32 Si32 -","4","1","","Osamu Morikawa; Misao Nakamura; Kazuhiro Kobayashi; Hisatoshi Konishi","Crystal structure of 14,16,34,36,54,56,74,76-octakis(trimethylsilyloxy)-1,3,5,7(1,3)tetrabenzenacyclooctaphane, C28H16[OSi(CH3)3]8","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","1","95","","","","x-ray","0.71075","MoKα","","0.0603","0.0443","","","0.1115","0.1189","","","","","","1.052","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102447","11.932","0.002","10.091","0.002","15.514","0.003","90","","105.19","0.02","90","","1802.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","bis[pyrrolidine-2-one]-pyrrolidine-2-onium perbromide","","- C12 H22 Br3 N3 O3 -","- C12 H22 Br3 N3 O3 -","- C48 H88 Br12 N12 O12 -","4","1","","Alain Bekaert; Bernard Viossat; Jean Daniel Brion; Pascale Lemoine","Refinement of crystal structure of tris[pyrrolidine-2-one] hydrogen tribromide, (C4H7NO)3HBr3","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","4","676","","","","","0.71073","MoKα","","0.1615","0.038","","","0.0853","0.1141","","","","","","0.893","","","","has coordinates","287927","2023-12-01","08:31:09",""
"8102821","12.9563","0.0012","15.054","0.0018","15.4461","0.0015","90","","105.12","0.007","90","","2908.4","0.5","210","2","210","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","3,4-Diacetyl-15,21-dioxatetracyclo[23.4.0.02,7.06,11]nonacosa- 1(29),2,4,6,8,10,25,27-octaene-14,22-dione solvate hydrate","","- C31 H36 O8 -","- C31 H32 O6 -","- C124 H128 O24 -","4","1","","Pablo Wessig; Annika Matthes; Uwe Schilde","Crystal structure of 3,4-diacetyl-15,21-dioxatetracyclo[23.4.0.02,7.06,11]nonacosa-1(29),2,4,6,8,10,25,27-octaene-14,22-dione — water (1:2), C31H32O6 · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","4","744","","","","","0.71073","MoKα","","0.0954","0.0574","","","0.1512","0.1681","","","","","","0.946","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8103013","9.0651","0.001","12.252","0.001","6.1646","0.0005","90","","104.536","0.007","90","","662.76","0.11","295","2","295","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Potassium Hexa-Aquairon(II) sulfate","","- Fe H12 K2 O14 S2 -","- Fe H12 K2 O14 S2 -","- Fe2 H24 K4 O28 S4 -","2","0.5","","Harald Euler; Bruno Barbier; Alke Meents; Armin Kirfel","Refinement of the crystal structure of potassium hexaaquairon(II) sulfate, K2[Fe(H2O)6](SO4)2 and potassium hexaaquazinc(II) sulfate, K2[Zn(H2O)6](SO4)2","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","2","171","","10.1524/ncrs.2009.0077","","","0.71069","MoKα","","0.0211","0.0199","","","0.0544","0.0551","","","","","","1.037","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103018","9.264","0.0011","12.4207","0.0014","6.2514","0.0008","90","","104.286","0.01","90","","697.08","0.15","295","2","295","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Potassium Hexa-Aquamagnesium(II) Selenate","","- H12 K2 Mg O14 Se2 -","- H12 K2 Mg O14 Se2 -","- H24 K4 Mg2 O28 Se4 -","2","0.5","","Harald Euler; Bruno Barbier; Alke Meents; Armin Kirfel","Crystal structure of Tutton's salts K2[MII(H2O)6](SeO4)2, MII = Co, Ni, Zn and refinement of the crystal structure of potassium hexaaquamagnesium(II) selenate, K2[Mg(H2O)6](SeO4)2","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","3","351","","10.1524/ncrs.2009.0156","","","0.71069","MoKα","","0.0218","0.0168","","","0.0336","0.0345","","","","","","1.104","","","","has coordinates","287901","2023-11-30","17:26:23",""
"8103026","9.434","0.002","12.634","0.002","6.2924","0.0014","90","","105.719","0.017","90","","721.9","0.3","295","2","295","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Thallium Hexa-Aquamagnesium(II) selenate","","- H12 Mg O14 Se2 Tl2 -","- H12 Mg O14 Se2 Tl2 -","- H24 Mg2 O28 Se4 Tl4 -","2","0.5","","Harald Euler; Bruno Barbier; Alke Meents; Armin Kirfel","Crystal structure of Tutton's salts Tl2[MII(H2O)6](SeO4)2, MII = Mg, Mn, Co, Ni, Cu, Zn","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","3","360","","10.1524/ncrs.2009.0158","","","0.71069","MoKα","","0.0469","0.0284","","","0.0442","0.0473","","","","","","1.064","","","","has coordinates","287901","2023-11-30","17:26:24",""
"8103439","10.299","","6.214","","7.436","","90","","121.33","","90","","406.498","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Rb (Au Br4)","","- Au Br4 Rb -","- Au Br4 Rb -","- Au2 Br8 Rb2 -","2","0.5","","Baernighausen, H.; Straehle, J.","Kristallchemischer Vergleich der Strukturen von Rb Au Cl4 und Rb Au Br4.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1971","134","","471","472","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8103462","9.37","","9.279","","3.181","","90","","85.65","","90","","275.773","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(Mg0.76 Mn0.24) Mn O (B O3)","","- B Mg0.76 Mn1.24 O4 -","- B Mg0.76 Mn1.24 O4 -","- B4 Mg3.04 Mn4.96 O16 -","4","1","","Norrestam, R.","Structural investigations of two synthetic warwickites: Undistorted orthorhombic Mg Sc O B O3 and distorted monoclinic Mg0.76 Mn1.24 O B O3","Zeitschrift fuer Kristallographie (149,1979-)","1989","189","","1","11","10.1524/zkri.1989.189.1-2.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8103480","13.112","","12.903","","12.407","","90","","113.5","","90","","1924.97","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(N (C H3)4)4 (Si32 B4 O72)","","- B4 N4 O72 Si32 -","- B4 N4 O72 Si32 -","- B4 N4 O72 Si32 -","1","0.25","","Rius, J.; Gies, H.","Ab-initio structure determination of zeolite RUB-10 from low resolution X-ray powder diffraction data","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","475","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8103605","8.429","","9.848","","6.756","","90","","109.65","","90","","528.148","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- Bi Br3 -","- Bi Br3 -","- Bi4 Br12 -","4","1","","von Benda, H.","Zur Polymorphie des Wismuttribromids","Zeitschrift fuer Kristallographie (149,1979-)","1980","151","","271","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103652","12.276","","11.299","","6.101","","90","","104.08","","90","","820.825","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Tl2 (As2 S4)","","- As2 S4 Tl2 -","- As2 S4 Tl2 -","- As8 S16 Tl8 -","4","1","","Fleet, M.E.","The crystal structure and bonding of lorandite, Tl2 As2 S4","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1973","138","","147","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"8103738","6.542","","17.796","","8.429","","90","","96.49","","90","","975.028","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Na2 (B8 O13)","","- B8 Na2 O13 -","- B8 Na2 O13 -","- B32 Na8 O52 -","4","1","","Bubnova, R.S.; Filatov, S.K.; Shepelev, Yu.F.; Sennova, N.A.","Thermal behaviour of the rigid boron-oxygen groups in the alpha-(Na2 B8 O13) crystal structure","Zeitschrift fuer Kristallographie (149,1979-)","2002","217","","444","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"8103739","6.554","","17.861","","8.445","","90","","95.15","","90","","984.589","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Na2 (B8 O13)","","- B8 Na2 O13 -","- B8 Na2 O13 -","- B32 Na8 O52 -","4","1","","Bubnova, R.S.; Shepelev, Yu.F.; Sennova, N.A.; Filatov, S.K.","Thermal behaviour of the rigid boron-oxygen groups in the alpha-(Na2 B8 O13) crystal structure","Zeitschrift fuer Kristallographie (149,1979-)","2002","217","","444","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"8103782","7.6757","","11.2053","","7.1264","","90","","115.727","","90","","552.173","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(N H4)2 (Mo O4)","","- H8 Mo N2 O4 -","- H8 Mo N2 O4 -","- H32 Mo4 N8 O16 -","4","1","","Schweda, E.; Hofmann, M.; Dittmann, M.; Glaser, J.","Phase transformation of ammonium monomolybdate. The structure of the low temperature modification, (N H4)2 (Mo O4) (mP60, P21/a)","Zeitschrift fuer Kristallographie (149,1979-)","2002","217","","164","167","","","","","","","","","","","","","","","","","","","","","","has coordinates","189061","2020-10-21","18:00:00",""
"8103809","5.301","","6.376","","5.074","","90","","112.9","","90","","157.981","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Cu (O H) F","","- Cu F H O -","- Cu F H O -","- Cu4 F4 H4 O4 -","4","1","","Giester, G.; Libowitzky, E.","Crystal structures and Raman spectra of Cu (O H) F and Cu3 (O H)2 F4","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","351","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103959","11.31","","14.48","","9.99","","90","","125.4","","90","","1333.59","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Al3.80 Mg3.15 Fe1.05 (Si1.75 Al4.25 O20)","","- Al8.05 Fe1.05 Mg3.15 O20 Si1.75 -","- Al8.05 Fe1.05 Mg3.15 O20 Si1.75 -","- Al32.2 Fe4.2 Mg12.6 O80 Si7 -","4","1","","Merlino, S.","Crystal structure of sapphirine -1Tc","Zeitschrift fuer Kristallographie (149,1979-)","1980","151","","91","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"8103962","9.969","","9.75","","19.168","","90","","103.96","","90","","1808.06","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","K2 Mn3 (S O4)4 (H2 O)5","","- H10 K2 Mn3 O21 S4 -","- H10 K2 Mn3 O21 S4 -","- H40 K8 Mn12 O84 S16 -","4","1","","Hidalgo, H.; Keremidchieva, B.; Veintemillas, S.; Balarew, C.; Rodriguez-Clemente, R.; Molins, E.; Spasov, V.","Crystal structure of dipotassium trimanganese tetrakis(sulfate) pentahydrate K2 Mn3 (S O4)4 (H2 O)5","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","153","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"8104507","10.185","","4.713","","5.865","","90","","91.09","","90","","281.48","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","(Ni0.65 Co0.35)3 (P O4)2","","- Co1.05 Ni1.95 O8 P2 -","- Co1.05 Ni1.95 O8 P2 -","- Co2.1 Ni3.9 O16 P4 -","2","0.5","","Nord, A.G.","Crystallographic studies of olivine-related sarcopside-type solutions","Zeitschrift fuer Kristallographie (149,1979-)","1984","166","","159","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"8104508","10.247","","4.728","","5.889","","90","","91.07","","90","","285.259","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","(Ni0.35 Co0.65)3 (P O4)2","","- Co1.95 Ni1.05 O8 P2 -","- Co1.95 Ni1.05 O8 P2 -","- Co3.9 Ni2.1 O16 P4 -","2","0.5","","Nord, A.G.","Crystallographic studies of olivine-related sarcopside-type solutions","Zeitschrift fuer Kristallographie (149,1979-)","1984","166","","159","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"8104509","10.267","","4.726","","5.961","","90","","90.82","","90","","289.209","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","(Ni0.70 Mn0.30)3 (P O4)2","","- Mn0.9 Ni2.1 O8 P2 -","- Mn0.9 Ni2.1 O8 P2 -","- Mn1.8 Ni4.2 O16 P4 -","2","0.5","","Nord, A.G.","Crystallographic studies of olivine-related sarcopside-type solutions","Zeitschrift fuer Kristallographie (149,1979-)","1984","166","","159","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"8105319","9.1065","0.0005","14.595","0.0008","12.7195","0.0008","90","","93.557","0.002","90","","1687.28","0.17","273","","273","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C8 H10 Bi Cl5 N4 O2 -","- C8 H10 Bi Cl5 N4 O2 -","- C32 H40 Bi4 Cl20 N16 O8 -","4","1","","Hao, Munan; Jin, Shifeng; Ma, Yuxin; Zhou, Junyan; Zhang, Zeyu; Zhao, Changchun","The crystal structure of bis(2-hydroxypyrimidinium) pentachloridobismuthate(III), (C4N2H5O)2BiCl5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","885","886","10.1515/ncrs-2020-0078","","","0.71073","MoKα","","0.0295","0.0249","","","0.0591","0.0612","","","","","","1.082","","","","has coordinates","275575","2022-05-20","09:22:43",""
"8105450","12.107","0.003","7.8431","0.0019","21.794","0.005","90","","98.233","0.005","90","","2048.2","0.9","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H26 N4 O4 -","- C20 H26 N4 O4 -","- C80 H104 N16 O16 -","4","1","","Chen, Xiao-Li; Sun, Le-Tao; Zhang, Qi-Long; Xu, Hong; Yang, Xian-Jiong","Crystal structure of (E)-N′-(2-hydroxy-4-(2-(piperidin-1-yl)ethoxy)benzylidene) nicotinohydrazide monohydrate, C20H24N4O3 ⋅ H2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1301","1302","10.1515/ncrs-2020-0284","","","0.71073","MoKα","","0.0899","0.0458","","","0.1018","0.1208","","","","","","1.029","","","","has coordinates","276149","2022-06-22","09:08:47",""
"8107139","7.1173","0.0004","25.051","0.002","9.3822","0.0008","90","","100.484","0.006","90","","1644.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","4-[(Benzo[1,3]dioxol-5-ylmethylene)-amino]-1,5-dimethyl-2-phenyl-1,2-dihydro -pyrazol-3-one","4-[(Benzo[1,3]dioxol-5-ylmethylene)-amino]-1,5-dimethyl-2-phenyl-1,2-dihydro -pyrazol-3-one","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","1","","Aqlan, Faisal M. S.; Nadeem Arshad, Muhammad; Asiri, Abdullah M.; Khan, Khalid A.; Zayed, Mohie E. M.","The crystal structure of 4-[(benzo[1,3]dioxol-5-ylmethylene)-amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one, C19H17N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1181","1183","10.1515/ncrs-2016-0125","","","0.7107","MoKα","","0.1034","0.0571","","","0.1237","0.1457","","","","","","1.036","","","","has coordinates","283612","2023-05-09","07:50:02",""
"9000125","14.39","","8.213","","9.934","","90","","114.03","","90","","1072.3","","","","","","","","","","","","Jenifer mine, Kramer borate district, California, USA","4","P 1 21/a 1","-P 2yab","14","","","Tunellite","- B6 H8 O14 Sr -","- B6 H8 O14 Sr -","- B24 H32 O56 Sr4 -","4","1","","Clark, J. R.","The crystal structure of tunellite, SrB6O9(OH)2.3H2O","American Mineralogist","1964","49","","1549","1568","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000131","10.51","","8.45","","7.32","","90","","106.08","","90","","624.652","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Margaritasite","- Cs O6 U V -","- Cs O6 U V -","- Cs4 O24 U4 V4 -","4","1","","Appleman, D. E.; Evans, H. T.","The crystal structures of synthetic anhydrous carnotite, K2(UO2)2V2O8, and its cesium analogue, Cs2(UO2)2V2O8","American Mineralogist","1965","50","","825","842","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000164","11.03","","12.12","","5.51","","90","","114.07","","90","","672.548","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Allactite","- As2 H8 Mn7 O16 -","- As2 H8 Mn7 O16 -","- As4 H16 Mn14 O32 -","2","0.5","","Moore, P. B.","Crystal chemistry of the basic manganese arsenate minerals: II. The crystal structure of allactite","American Mineralogist","1968","53","","733","741","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000181","7.353","","25.225","","6.097","","90","","95.2","","90","","1126.21","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Tamarugite","- Al H12 Na O14 S2 -","- Al H12 Na O14 S2 -","- Al4 H48 Na4 O56 S8 -","4","1","","Robinson, P. D.; Fang, J. H.","Crystal structures and mineral chemistry of double-salt hydrates: I. Direct determination of the crystal structure of tamarugite","American Mineralogist","1969","54","","19","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000182","11.266","","14.401","","9.929","","90","","125.46","","90","","1312.11","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Sapphirine","- Al9 Mg3.5 O20 Si1.5 -","- Al9 Mg3.5 O20 Si1.5 -","- Al36 Mg14 O80 Si6 -","4","1","","Moore, P. B.","The crystal structure of sapphirine","American Mineralogist","1969","54","","31","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:32",""
"9000188","9.647","","7.428","","10.194","","90","","104.63","","90","","706.796","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Pseudolaueite","- Fe2 H18 Mn O18 P2 -","- Fe2 H18 Mn O18 P2 -","- Fe4 H36 Mn2 O36 P4 -","2","0.5","","Baur, W. H.","A comparison of the crystal structures of pseudolaueite and laueite","American Mineralogist","1969","54","","1312","1323","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000201","10.842","","4.826","","11.324","","90","","103.93","","90","","575.086","","","","","","","","","","","","Franklin, New Jersey, USA","4","P 1 21/a 1","-P 2yab","14","","","Leucophoenicite","- H2 Mn7 O14 Si3 -","- H2 Mn7 O14 Si3 -","- H4 Mn14 O28 Si6 -","2","0.5","","Moore, P. B.","Edge-sharing silicate tetrahedra in the crystal structure of leucophoenicite","American Mineralogist","1970","55","","1146","1166","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000209","12.817","","14.448","","12.783","","90","","101.42","","90","","2320.29","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Strontioginorite","- B14 Ca H16 O31 Sr -","- B14 Ca H16 O31 Sr -","- B56 Ca4 H64 O124 Sr4 -","4","1","","Konnert, J. A.; Clark, J. R.; Christ, C. L.","Crystal structure of strontioginorite, (Sr,Ca)2B14O20(OH)6.5H2O","American Mineralogist","1970","55","","1911","1931","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000259","10.437","","4.768","","6.026","","90","","90","","90","","299.876","","","","","","","","","","","","Bull Moose pegmatite, near Custer, South Dakota, USA","5","P 1 21/a 1","-P 2yab","14","","","Sarcopside","- Fe2.34 Mg0.03 Mn0.63 O8 P2 -","- Fe2.34 Mg0.03 Mn0.63 O8 P2 -","- Fe4.68 Mg0.06 Mn1.26 O16 P4 -","2","0.5","","Moore, P. B.","Sarcopside: Its atomic arrangement","American Mineralogist","1972","57","","24","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000264","12.882","","16.36","","6.558","","90","","121.62","","90","","1176.92","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Gowerite","- B6 Ca H10 O15 -","- B6 Ca H10 O15 -","- B24 Ca4 H40 O60 -","4","1","","Konnert, J. A.; Clark, J. R.; Christ, C. L.","Gowerite, CaB5O8(OH).B(OH)3.3H2O: Crystal structure and comparison with related borates","American Mineralogist","1972","57","","381","396","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000285","13.254","","5.293","","9.328","","90","","91.9","","90","","654.031","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Merwinite","- Ca3 Mg O8 Si2 -","- Ca3 Mg O8 Si2 -","- Ca12 Mg4 O32 Si8 -","4","1","","Moore, P. B.; Araki, T.","Atomic arrangement of merwinite, Ca3Mg[SiO4]2, an unusual dense-packed structure of geophysical interest","American Mineralogist","1972","57","","1355","1374","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000381","15.675","","19.92","","6.255","","90","","99.33","","90","","1927.26","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","Teruggite","- As2 B12 Ca4 H40 Mg O48 -","- As2 B12 Ca4 H40 Mg O48 -","- As4 B24 Ca8 H80 Mg2 O96 -","2","0.5","","Dal Negro, A.; Kumbasar, I.; Ungaretti, L.","The crystal structure of teruggite","American Mineralogist","1973","58","","1034","1043","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9000399","9.8275","","10.2244","","7.5322","","90","","103.18","","90","","736.901","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Veszelyite","- Cu2 H7 O9 P Zn -","- Cu2 H7 O9 P Zn -","- Cu8 H28 O36 P4 Zn4 -","4","1","","Ghose, S.; Leo, S. R.; Wan, C.","Structural chemistry of copper and zinc minerals. Part I. Veszelyite, (Cu,Zn)2ZnPO4(OH)3.2H2O: A novel type of sheet structure and crystal chemistry of copper-zinc substitution Locality: Arakawa mine, Japan","American Mineralogist","1974","59","","573","581","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:15",""
"9000403","9.789","","7.661","","4.804","","90","","90.02","","90","","360.269","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Hydroxylherderite","- Be Ca H O5 P -","- Be Ca H O5 P -","- Be4 Ca4 H4 O20 P4 -","4","1","","Lager, G. A.; Gibbs, G. V.","A refinement of the crystal structure of herderite, CaBePO4OH","American Mineralogist","1974","59","","919","925","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:15",""
"9000420","8.299","","8.782","","7.798","","90","","90.5","","90","","568.311","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Hurlbutite","- Be2 Ca O8 P2 -","- Be2 Ca O8 P2 -","- Be8 Ca4 O32 P8 -","4","1","","Lindbloom, J. T.; Gibbs, G. V.; Ribbe, P. H.","The crystal structure of hurlbutite: A comparison with danburite and anorthite","American Mineralogist","1974","59","","1267","1271","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000422","13.328","","5.727","","10.971","","90","","100.91","","90","","822.275","","","","","","","","","","","","natural, but location not given","5","P 1 21/a 1","-P 2yab","14","","","Chevkinite-(Nd)","- Mg1.999 Nd4 O22 Si4 Ti3.001 -","- Mg1.999 Nd4 O22 Si4 Ti3.001 -","- Mg3.998 Nd8 O44 Si8 Ti6.002 -","2","0.5","","Calvo, C.; Faggiani, R.","A re-investigation of the crystal structures of chevkinite and perrierite Coordinates to O8 revised by Dr. Zhuming Yang, December 2001","American Mineralogist","1974","59","","1277","1285","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000423","13.325","","5.706","","10.998","","90","","100.82","","90","","821.339","","","","","","","","","","","","natural, but location not given","5","P 1 21/a 1","-P 2yab","14","","","Chevkinite-(Nd)","- Co2 Nd4 O22 Si4 Ti3 -","- Co2 Nd4 O22 Si4 Ti3 -","- Co4 Nd8 O44 Si8 Ti6 -","2","0.5","","Calvo, C.; Faggiani, R.","A re-investigation of the crystal structures of chevkinite and perrierite","American Mineralogist","1974","59","","1277","1285","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000424","13.818","","5.677","","11.787","","90","","113.85","","90","","845.672","","","","","","","","","","","","Synthetic","5","P 1 21/a 1","-P 2yab","14","","","Perrierite-(La)","- La4 Mg2 O22 Si4 Ti3 -","- La4 Mg2 O22 Si4 Ti3 -","- La8 Mg4 O44 Si8 Ti6 -","2","0.5","","Calvo, C.; Faggiani, R.","A re-investigation of the crystal structures of chevkinite and perrierite","American Mineralogist","1974","59","","1277","1285","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000442","12.577","","10.393","","3.139","","90","","95.9","","90","","408.134","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Szaibelyite","- B H Mg O3 -","- B H Mg O3 -","- B8 H8 Mg8 O24 -","8","2","","Takeuchi, Y.; Kudoh, Y.","Szaibelyite, Mq2(OH)[B2O4(OH)]: Crystal structure, pseudosymmetry, and polymorphism","American Mineralogist","1975","60","","273","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:16",""
"9000451","9.431","","10.066","","8.04","","90","","117.6","","90","","676.401","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Fe3 H2 O9 P2 -","- Fe3 H2 O9 P2 -","- Fe12 H8 O36 P8 -","4","1","","Moore, P. B.; Araki, T.","The Fe3(H2O)n[PO4]2 homologous series. II. The crystal structure of Fe3(H2O)[PO4]2","American Mineralogist","1975","60","","454","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9000456","9.0009","","9.484","","8.3987","","90","","90.682","","90","","716.9","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Ga2.003 O8 Si1.997 Sr -","- Ga2.003 O8 Si1.997 Sr -","- Ga8.012 O32 Si7.988 Sr4 -","4","1","","Phillips, M. W.; Kroll, H.; Pentinghaus, H.; Ribbe, P. H.","The structures of synthetic paracelsian analogs, SrGa2Si2O8 and SrGa2Ge2O8","American Mineralogist","1975","60","","659","666","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000457","9.2056","","9.6602","","8.5834","","90","","90.432","","90","","763.282","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Ga2 Ge2 O8 Sr -","- Ga2 Ge2 O8 Sr -","- Ga8 Ge8 O32 Sr4 -","4","1","","Phillips, M. W.; Kroll, H.; Pentinghaus, H.; Ribbe, P. H.","The structure of synthetic paracelsian analogs, SrGa2Si2O8 and SrGa2Ge2O8","American Mineralogist","1975","60","","659","666","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000489","7.069","","8.722","","6.566","","90","","113.86","","90","","370.234","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Speer, J. A.; Gibbs, G. V.","The crystal structure of synthetic titanite, CaTiOSiO4, and the domain textures of natural titanites","American Mineralogist","1976","61","","238","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000509","7.068","","8.714","","6.562","","90","","113.82","","90","","369.731","","","","298.15","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Taylor, M.; Brown, G. E.","High-temperature structural study of the P2_1/a - A2/a phase transition in synthetic titanite, CaTiSiO5 T = 25 deg C","American Mineralogist","1976","61","","435","447","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00",""
"9000510","7.067","","8.726","","6.568","","90","","113.77","","90","","370.668","","","","438.15","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Taylor, M.; Brown, G. E.","High-temperature structural study of the P2_1/a - A2/a phase transition in synthetic titanite, CaTiSiO5 T = 165 deg C","American Mineralogist","1976","61","","435","447","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00",""
"9000518","15.892","","7.721","","7.438","","90","","101.34","","90","","894.841","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","Eakerite","- Al2 Ca2 H6 O22 Si6 Sn -","- Al2 Ca2 H6 O22 Si6 Sn -","- Al4 Ca4 H12 O44 Si12 Sn2 -","2","0.5","","Kossiakoff, A. A.; Leavens, P. B.","The crystal structure of eakerite, a calcium-tin silicate Note: z-coordinate of Si2 altered","American Mineralogist","1976","61","","956","962","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:16",""
"9000542","8.888","","9.344","","8.326","","90","","90.33","","90","","691.458","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Slawsonite","- Al2 Ca0.13 O8 Si2 Sr0.87 -","- Al2 Ca0.13 O8 Si2 Sr0.87 -","- Al8 Ca0.52 O32 Si8 Sr3.48 -","4","1","","Griffen, D. T.; Ribbe, P. H.; Gibbs, G. V.","The structure of slawsonite, a strontium analog of paracelsian","American Mineralogist","1977","62","","31","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00",""
"9000547","9.186","","10.684","","4.461","","90","","92.31","","90","","437.461","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Reichenbachite","- Cu5 O12 P2 -","- Cu5 O12 P2 -","- Cu10 O24 P4 -","2","0.5","","Anderson, J. B.; Shoemaker, G. L.; Kostiner, E.; Ruszala, F. A.","The crystal structure of synthetic Cu5(PO4)2(OH)4, a polymorph of pseudomalachite","American Mineralogist","1977","62","","115","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00",""
"9000587","18.886","","7.521","","7.815","","90","","97.72","","90","","1099.99","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Aristarainite","- B12 H16 Mg Na2 O28 -","- B12 H16 Mg Na2 O28 -","- B24 H32 Mg2 Na4 O56 -","2","0.5","","Ghose, S.; Wan, C.","Aristarainite: Na2Mg[B6O8(OH)4]2.4H2O: a sheet structure with chains of hexaborate polyanions","American Mineralogist","1977","62","","979","989","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:16",""
"9000588","10.786","","18.88","","9.564","","90","","107.45","","90","","1857.98","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Deerite","- Fe9 H5 O25 Si6 -","- Fe9 H5 O25 Si6 -","- Fe36 H20 O100 Si24 -","4","1","","Fleet, M. E.","The crystal structure of deerite Note: sample is from a riebeckite-deerite-garnet schist near Panoche, San Benito County, California, USA","American Mineralogist","1977","62","","990","998","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9000590","24.03","","5.11","","10.88","","90","","106.94","","90","","1278.02","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","Tuscanite","- Al1.85 Ca2.89 K0.51 O15 S0.95 Si3.15 -","- Al1.85 Ca2.9 K0.51 O15 S0.95 Si3.15 -","- Al7.4 Ca11.6 K2.04 O60 S3.8 Si12.6 -","4","1","","Mellini, M.; Merlino, S.; Rossi, G.","The crystal structure of tuscanite Note Sample from the pumice deposit in Pitigliano, Tuscany, Italy","American Mineralogist","1977","62","","1114","1120","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00",""
"9000765","13.584","","5.65","","8.551","","90","","108.78","","90","","621.346","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Paulmooreite","- As2 O5 Pb2 -","- As2 O5 Pb2 -","- As8 O20 Pb8 -","4","1","","Araki, T.; Moore, P. B.; Brunton, G. D.","The crystal structure of paulmooreite, Pb2[As2O5]: dimeric arsenite groups","American Mineralogist","1980","65","","340","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:39",""
"9000924","7.05","","8.681","","6.539","","90","","113.9","","90","","365.879","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Hollabaugh, C. L.; Foit, F. F.","The crystal structure of an Al-rich titanite from Grisons, Switzerland","American Mineralogist","1984","69","","725","732","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000937","10.363","","4.732","","5.99","","90","","90.91","","90","","293.699","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Sarcopside","- Fe2.11 Ni0.89 O8 P2 -","- Fe2.11 Ni0.89 O8 P2 -","- Fe4.22 Ni1.78 O16 P4 -","2","0.5","","Ericsson, T.; Nord, A. G.","Strong cation ordering in olivine-related (Ni,Fe)-sarcopsides: a combined Mossbauer, X-ray and neutron diffraction study neutron diffraction","American Mineralogist","1984","69","","889","895","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000941","10","","7.565","","4.768","","90","","90.31","","90","","360.694","","","","","","","","","","","","","11","P 1 21/a 1","-P 2yab","14","","","Gadolinite-(Y)","- Be2 Ce0.08 Dy0.112 Er0.042 Fe0.864 Gd0.084 Nd0.14 O10 Si2 Sm0.084 Y1.3 -","- Be2 Ce0.08 Dy0.112 Er0.042 Fe0.864 Gd0.084 Nd0.14 O10 Si2 Sm0.084 Y1.3 -","- Be4 Ce0.16 Dy0.224 Er0.084 Fe1.728 Gd0.168 Nd0.28 O20 Si4 Sm0.168 Y2.6 -","2","0.5","","Miyawaki, R.; Nakai, I.; Nagashima, K.","A refinement of the crystal structure of gadolinite","American Mineralogist","1984","69","","948","953","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000981","13.008","","8.784","","5.836","","90","","90.21","","90","","666.83","","","","138","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Ca Fe3 H O9 Si2 -","- Ca Fe3 H O9 Si2 -","- Ca4 Fe12 H4 O36 Si8 -","4","1","","Ghose, S.; Sen Gupta, P. K.; Schlemper, E. O.","Electron ordering in ilvaite, a mixed-valence iron silicate: crystal structure refinement at 138 K Sample: T = 138 K","American Mineralogist","1985","70","","1248","1252","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000987","5.079","","11.611","","5.394","","90","","111.72","","90","","295.513","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Lammerite","- As2 Cu3 O8 -","- As2 Cu3 O8 -","- As4 Cu6 O16 -","2","0.5","","Hawthorne, F. C.","Lammerite, Cu3(AsO4)2, a modulated close-packed structure","American Mineralogist","1986","71","","206","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001014","4.78","","14.322","","4.6335","","90","","100.31","","90","","312.084","","","","","","","","100","","","","","5","P 1 21/a 1","-P 2yab","14","","","Euclase","- Al Be H O5 Si -","- Al Be H O5 Si -","- Al4 Be4 H4 O20 Si4 -","4","1","","Hazen, R. M.; Au, A. Y.; Finger, L. W.","High-pressure crystal chemistry of beryl (Be3Al2Si6O18) and euclase (BeAlSiO4OH) Sample: Pressure = .001 kbar","American Mineralogist","1986","71","","977","984","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001015","4.759","","14.255","","4.612","","90","","100.24","","90","","307.892","","","","","","","","2100000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Euclase","- Al Be O5 Si -","- Al Be O5 Si -","- Al4 Be4 O20 Si4 -","4","1","","Hazen, R. M.; Au, A. Y.; Finger, L. W.","High-pressure crystal chemistry of beryl (Be3Al2Si6O18) and euclase (BeAlSiO4OH) Sample: Pressure = 21 kbar","American Mineralogist","1986","71","","977","984","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001016","4.746","","14.189","","4.599","","90","","100.18","","90","","304.826","","","","","","","","4200000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Euclase","- Al Be O5 Si -","- Al Be O5 Si -","- Al4 Be4 O20 Si4 -","4","1","","Hazen, R. M.; Au, A. Y.; Finger, L. W.","High-pressure crystal chemistry of beryl (Be3Al2Si6O18) and euclase (BeAlSiO4OH) Sample: Pressure = 42 kbar","American Mineralogist","1986","71","","977","984","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001017","4.73","","14.136","","4.58","","90","","100.16","","90","","301.432","","","","","","","","6200000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Euclase","- Al Be O5 Si -","- Al Be O5 Si -","- Al4 Be4 O20 Si4 -","4","1","","Hazen, R. M.; Au, A. Y.; Finger, L. W.","High-pressure crystal chemistry of beryl (Be3Al2Si6O18) and euclase (BeAlSiO4OH) Sample: Pressure = 62 kbar","American Mineralogist","1986","71","","977","984","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001025","8.528","","13.166","","11.812","","90","","110.05","","90","","1245.87","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Switzerite","- H7 Mn3 O15 P2 -","- H7 Mn3 O15 P2 -","- H28 Mn12 O60 P8 -","4","1","","Zanazzi, P. F.; Leavens, P. B.; White, J. S.","Crystal structure of switzerite, Mn3(PO4)2.7H2O and its relationship to metaswitzerite, Mn3(PO4)2.4H2O","American Mineralogist","1986","71","","1224","1228","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9001039","13.966","","15.443","","6.632","","90","","91.38","","90","","1429.95","","","","","","","","","","","","Roessing, South-West Africa","5","P 1 21/a 1","-P 2yab","14","","","Uranophane - beta","- Ca H12 O17 Si2 U2 -","- Ca H12 O17 Si2 U2 -","- Ca4 H48 O68 Si8 U8 -","4","1","","Viswanathan, K.; Harneit, O.","Refined crystal structure of beta-uranophane, Ca(UO2)2(SiO3OH)2.5H2O","American Mineralogist","1986","71","","1489","1493","","","","","","","","","","","","","","","","","","","","","","has coordinates","294025","2024-08-07","07:53:13",""
"9001493","7.3482","","15.0522","","7.0685","","90","","96.519","","90","","776.768","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Fransoletite","- Be2 Ca3 H10 O20 P4 -","- Be2 Ca3 H10 O20 P4 -","- Be4 Ca6 H20 O40 P8 -","2","0.5","","Kampf, A. R.","Beryllophosphate chains in the structures of fransoletite, parafransoletite, and ehrleite and some general comments on beryllophosphate linkages","American Mineralogist","1992","77","","848","856","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9001845","7.057","","8.71","","6.555","","90","","113.84","","90","","368.535","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Hughes, J. M.; Bloodaxe, E. S.; Hanchar, J. M.; Foord, E. E.","Incorporation of rare earth elements in titanite: Stabilization of the A2/a dimorph by creation of antiphase boundaries Sample: Dy-Al","American Mineralogist","1997","82","","512","516","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002233","13.006","","8.808","","5.85","","90","","90.34","","90","","670.146","","","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Al0.04 Ca Fe2.88 H Mg0.03 Mn0.05 O9 Si2 -","- Al0.04 Ca Fe2.88 H Mg0.03 Mn0.05 O9 Si2 -","- Al0.16 Ca4 Fe11.52 H4 Mg0.12 Mn0.2 O36 Si8 -","4","1","","Bonazzi, P.; Bindi, L.","Structural adjustments induced by heat treatment in ilvaite Sample: RM at room temperature","American Mineralogist","1999","84","","1604","1612","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002234","13.015","","8.803","","5.842","","90","","90.16","","90","","669.321","","","","673.15","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Al0.04 Ca Fe2.88 H Mg0.03 Mn0.05 O9 Si2 -","- Al0.04 Ca Fe2.88 H Mg0.03 Mn0.05 O9 Si2 -","- Al0.16 Ca4 Fe11.52 H4 Mg0.12 Mn0.2 O36 Si8 -","4","1","","Bonazzi, P.; Bindi, L.","Structural adjustments induced by heat treatment in ilvaite Sample: RM at T = 400 deg C","American Mineralogist","1999","84","","1604","1612","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002235","13.014","","8.807","","5.846","","90","","90.1","","90","","670.034","","","","723.15","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Al0.04 Ca Fe2.88 H Mg0.03 Mn0.05 O9 Si2 -","- Al0.04 Ca Fe2.88 H Mg0.03 Mn0.05 O9 Si2 -","- Al0.16 Ca4 Fe11.52 H4 Mg0.12 Mn0.2 O36 Si8 -","4","1","","Bonazzi, P.; Bindi, L.","Structural adjustments induced by heat treatment in ilvaite Sample: RM at T = 450 deg C","American Mineralogist","1999","84","","1604","1612","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002435","7.0572","","8.7108","","6.5534","","90","","113.786","","90","","368.643","","","","300","","","","210000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #001 at P = 0.21 GPa, T = 300 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002436","7.0512","","8.7141","","6.5521","","90","","113.735","","90","","368.54","","","","609","","","","870000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #002 at P = 0.87 GPa, T = 609 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002437","7.0494","","8.7102","","6.5484","","90","","113.742","","90","","368.054","","","","483","","","","710000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #003 at P = 0.71 GPa, T = 483 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002438","7.0442","","8.7132","","6.5476","","90","","113.705","","90","","367.968","","","","670","","","","1210000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #004 at P = 1.21 GPa, T = 670 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002439","7.0391","","8.71","","6.5433","","90","","113.686","","90","","367.379","","","","648","","","","1260000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #005 at P = 1.26 GPa, T = 648 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002440","7.0411","","8.7106","","6.5441","","90","","113.682","","90","","367.565","","","","628","","","","1230000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #006 at P = 1.23 GPa, T = 628 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002442","7.0187","","8.6965","","6.5243","","90","","113.594","","90","","364.941","","","","518","","","","1690000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #008 at P = 1.69 GPa, T = 518 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002443","7.0186","","8.6983","","6.5272","","90","","113.617","","90","","365.109","","","","555","","","","1770000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #009 at P = 1.77 GPa, T = 555 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002451","6.982","","8.6748","","6.4924","","90","","113.498","","90","","360.619","","","","303","","","","2660000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #017 at P = 2.66 GPa, T = 303 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002476","6.9982","","8.6853","","6.5079","","90","","113.523","","90","","362.689","","","","440","","","","2250000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #042 at P = 2.25 GPa, T = 440 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002477","6.999","","8.686","","6.5073","","90","","113.521","","90","","362.731","","","","399","","","","2160000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #043 at P = 2.16 GPa, T = 399 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002478","6.9984","","8.6846","","6.5063","","90","","113.521","","90","","362.586","","","","354","","","","2050000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #044 at P = 2.05 GPa, T = 354 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002479","7.0014","","8.6869","","6.5081","","90","","113.533","","90","","362.905","","","","301","","","","1880000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #045 at P = 1.88 GPa, T = 301 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002638","11.778","","9.469","","9.851","","90","","95.26","","90","","1094.02","","","","100","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Leonite","- H8 K2 Mg O12 S2 -","- H8 K2 Mg O12 S2 -","- H32 K8 Mg4 O48 S8 -","4","1","","Hertweck, B.; Giester, G.; Libowitzky, E.","The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mg(SO4)2.4H2O, T = 100 K","American Mineralogist","2001","86","","1282","1292","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9002641","12.031","","9.531","","9.902","","90","","95.02","","90","","1131.08","","","","110","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Leonite","- H8 K2 Mn O12 S2 -","- H8 K2 Mn O12 S2 -","- H32 K8 Mn4 O48 S8 -","4","1","","Hertweck, B.; Giester, G.; Libowitzky, E.","The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mn(SO4)2.4H2O, T = 110 K","American Mineralogist","2001","86","","1282","1292","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9002644","11.834","","9.502","","9.913","","90","","94.87","","90","","1110.66","","","","185","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Mereiterite","- Fe H8 K2 O12 S2 -","- Fe H8 K2 O12 S2 -","- Fe4 H32 K8 O48 S8 -","4","1","","Hertweck, B.; Giester, G.; Libowitzky, E.","The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Fe(SO4)2.4H2O, T = 185 K","American Mineralogist","2001","86","","1282","1292","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9002662","10.8259","","4.8565","","11.3758","","90","","103.956","","90","","580.439","","","","","","","","","","","","Franklin, New Jersey, USA","7","P 1 21/a 1","-P 2yab","14","","","Leucophoenicite","- Ca0.64 H2 Mg0.04 Mn6.28 O14 Si3 Zn0.04 -","- Ca0.64 H2 Mg0.04 Mn6.28 O14 Si3 Zn0.04 -","- Ca1.28 H4 Mg0.08 Mn12.56 O28 Si6 Zn0.08 -","2","0.5","","Welch, M. D.; Marshall, W. G.; Ross, N. L.; Knight, K. S.","H positions in leucophoenicite, Mn7Si3(OH)2: A close relative of the hydrous B phases","American Mineralogist","2002","87","","154","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002886","17.77","","5.651","","17.458","","90","","116.18","","90","","1573.26","","","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","Gatelite-(Ce)","- Al3.11 Ca1.11 Ce2.89 Fe0.35 H2 Mg0.54 O22 Si5 -","- Al3.11 Ca1.11 Ce2.89 Fe0.35 H2 Mg0.54 O22 Si5 -","- Al12.44 Ca4.44 Ce11.56 Fe1.4 H8 Mg2.16 O88 Si20 -","4","1","","Bonazzi, P.; Bindi, L.; Parodi, G. C.","Gatelite-(Ce), a new REE-bearing mineral from Trimouns, French Pyrenees: Crystal structure and polysomatic relationships with epidote and tornebohmite-(Ce)","American Mineralogist","2003","88","","223","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30",""
"9003066","5.275","","9.009","","9.557","","90","","90.43","","90","","454.16","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Kassite","- Ca O6 Ti2 -","- Ca O6 Ti2 -","- Ca4 O24 Ti8 -","4","1","","Grey, I. E.; Mumme, W. G.; Pekov, I. V.; Pushcharovsky, D. Y.","The crystal structure of chromian kassite from the Saranovskoye deposit, Northern Urals, Russia","American Mineralogist","2003","88","","1331","1335","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003083","15.192","","5.629","","3.7067","","90","","104.538","","90","","306.832","","","","","","","","0","","","","","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite (deuterated)","- C D K O3 -","- C D K O3 -","- C4 D4 K4 O12 -","4","1","","Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B.","Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 0 GPa","American Mineralogist","2003","88","","1446","1451","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003084","15.103","","5.6152","","3.6963","","90","","104.19","","90","","303.905","","","","","","","","200000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite (deuterated)","- C D K O3 -","- C D K O3 -","- C4 D4 K4 O12 -","4","1","","Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B.","Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 0.2 GPa","American Mineralogist","2003","88","","1446","1451","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003085","14.746","","5.555","","3.6452","","90","","102.87","","90","","291.092","","","","","","","","1800000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite (deuterated)","- C D K O3 -","- C D K O3 -","- C4 D4 K4 O12 -","4","1","","Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B.","Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 1.8 GPa","American Mineralogist","2003","88","","1446","1451","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003086","14.481","","5.51","","3.616","","90","","101.94","","90","","282.28","","","","","","","","2300000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite (deuterated)","- C D K O3 -","- C D K O3 -","- C4 D4 K4 O12 -","4","1","","Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B.","Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 2.3 GPa","American Mineralogist","2003","88","","1446","1451","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003087","14.379","","5.494","","3.609","","90","","101.64","","90","","279.241","","","","","","","","2500000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite (deuterated)","- C D K O3 -","- C D K O3 -","- C4 D4 K4 O12 -","4","1","","Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B.","Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 2.5 GPa","American Mineralogist","2003","88","","1446","1451","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003449","11.949","","9.028","","10.13","","90","","116.15","","90","","980.926","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Getchellite","- As0.975 S3 Sb1.025 -","- As0.975 S3 Sb1.025 -","- As7.8 S24 Sb8.2 -","8","2","","Kyono, A.; Kimata, M.","Structural reinvestigation of getchellite As0.98Sb1.02S3.00","American Mineralogist","2004","89","","696","700","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003663","7.15","","8.89941","","6.65482","","90","","113.73","","90","","387.649","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca Ge O5 Ti0.954 Zr0.046 -","- Ca Ge O5 Ti0.954 Zr0.046 -","- Ca4 Ge4 O20 Ti3.816 Zr0.184 -","4","1","","Ellemann-Olesen R; Malcherek, T.","Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti95, titanite structure","American Mineralogist","2005","90","","687","694","10.2138/am.2005.1767","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003664","7.15461","","8.90612","","6.65901","","90","","113.701","","90","","388.523","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca Ge O5 Ti0.908 Zr0.091 -","- Ca Ge O5 Ti0.908 Zr0.091 -","- Ca4 Ge4 O20 Ti3.632 Zr0.364 -","4","1","","Ellemann-Olesen R; Malcherek, T.","Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti90, titanite structure","American Mineralogist","2005","90","","687","694","10.2138/am.2005.1767","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003762","7.158","","8.885","","6.649","","90","","113.834","","90","","386.806","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Ca Ge O5 Ti -","- Ca Ge O5 Ti -","- Ca4 Ge4 O20 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: Single crystal CaTiOGeO4","American Mineralogist","2005","90","","1325","1334","10.2138/am.2005.1729","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003763","7.14287","","8.8782","","6.64268","","90","","113.833","","90","","385.33","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca Ge0.901 O5 Si0.098 Ti -","- Ca Ge0.901 O5 Si0.098 Ti -","- Ca4 Ge3.604 O20 Si0.392 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #95, CaTiO(Ge.90Si.10)O4","American Mineralogist","2005","90","","1325","1334","10.2138/am.2005.1729","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003764","7.1346","","8.87346","","6.63886","","90","","113.738","","90","","384.738","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca Ge0.871 O5 Si0.128 Ti -","- Ca Ge0.871 O5 Si0.128 Ti -","- Ca4 Ge3.484 O20 Si0.512 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #90, CaTiO(Ge.87Si.13)O4","American Mineralogist","2005","90","","1325","1334","10.2138/am.2005.1729","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003765","7.11815","","8.83215","","6.61777","","90","","113.767","","90","","380.765","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca Ge0.678 O5 Si0.321 Ti -","- Ca Ge0.678 O5 Si0.321 Ti -","- Ca4 Ge2.712 O20 Si1.284 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #70, CaTiO(Ge.68Si.32)O4","American Mineralogist","2005","90","","1325","1334","10.2138/am.2005.1729","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003766","7.09534","","8.79173","","6.5962","","90","","113.757","","90","","376.606","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca Ge0.49 O5 Si0.51 Ti -","- Ca Ge0.49 O5 Si0.51 Ti -","- Ca4 Ge1.96 O20 Si2.04 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #50, CaTiO(Ge.49Si.51)O4","American Mineralogist","2005","90","","1325","1334","10.2138/am.2005.1729","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003767","7.09137","","8.78567","","6.59344","","90","","113.766","","90","","375.952","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca Ge0.336 O5 Si0.663 Ti -","- Ca Ge0.336 O5 Si0.663 Ti -","- Ca4 Ge1.344 O20 Si2.652 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #30, CaTiO(Ge.34Si.66)O4","American Mineralogist","2005","90","","1325","1334","10.2138/am.2005.1729","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003768","7.07182","","8.74371","","6.57304","","90","","113.782","","90","","371.925","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca Ge0.2 O5 Si0.799 Ti -","- Ca Ge0.2 O5 Si0.799 Ti -","- Ca4 Ge0.8 O20 Si3.196 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #20, CaTiO(Ge.20Si.80)O4","American Mineralogist","2005","90","","1325","1334","10.2138/am.2005.1729","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003769","7.06582","","8.73056","","6.56626","","90","","113.782","","90","","370.668","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca Ge0.096 O5 Si0.903 Ti -","- Ca Ge0.096 O5 Si0.903 Ti -","- Ca4 Ge0.384 O20 Si3.612 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #10, CaTiO(Ge.10Si.90)O4","American Mineralogist","2005","90","","1325","1334","10.2138/am.2005.1729","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003814","9.104","","20.792","","11.577","","90","","90.5","","90","","2191.33","","","","298.15","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Leadhillite","- C2 H2 O12 Pb4 S -","- C2 O12 Pb4 S -","- C16 O96 Pb32 S8 -","8","2","","Bindi, L.; Menchetti, S.","Structural changes accompanying the phase transformation between leadhillite and susannite: a structural study by means of in situ high-temperature single- crystal X-ray diffraction Sample: Chah Mileh Mine, Anarak District, Esfahan Province, Iran Sample: T = 25C","American Mineralogist","2005","90","","1641","1647","10.2138/am.2005.1808","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:17",""
"9004183","11.126","","8.242","","5.539","","90","","100.84","","90","","498.866","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Blodite","- H8 Mg Na2 O12 S2 -","- H8 Mg Na2 O12 S2 -","- H16 Mg2 Na4 O24 S4 -","2","0.5","","Hawthorne, F. C.","Refinement of the crystal structure of bloedite: Structural similarities in the [M(T_4)2_n] finite-cluster minerals","The Canadian Mineralogist","1985","23","","669","674","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004262","8.712","","11.247","","6.091","","90","","110.12","","90","","560.398","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Colemanite","- B3 Ca0.94 H5 O8 -","- B3 Ca0.94 H5 O8 -","- B12 Ca3.76 H20 O32 -","4","1","","Burns, P. C.; Hawthorne, F. C.","Hydrogen bonding in colemanite: An X-ray and structure-energy study","The Canadian Mineralogist","1993","31","","297","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004343","14.415","","8.213","","9.951","","90","","114.05","","90","","1075.83","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Tunellite","- B6 H8 O14 Sr -","- B6 H8 O14 Sr -","- B24 H32 O56 Sr4 -","4","1","","Burns, P. C.; Hawthorne, F. C.","Hydrogen bonding in tunellite","The Canadian Mineralogist","1994","32","","895","902","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004386","11.024","","10.303","","7.391","","90","","109.4","","90","","791.809","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","Cuspidine","- Ca2 F2 Lu Na O7 Si2 -","- Ca2 F2 Lu Na O7 Si2 -","- Ca8 F8 Lu4 Na4 O28 Si8 -","4","1","","Fleet, M. E.; Pan, Y.","The structure of NaCa2LuSi2O7F2, a synthetic phase of the cuspidine group","The Canadian Mineralogist","1995","33","","879","884","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004557","10.798","","9.835","","7.09","","90","","108.08","","90","","715.769","","","","","","","","","","","","Amdrup Fjord","8","P 1 21/a 1","-P 2yab","14","","","Normandite","- Ca0.83 F Mn Na1.17 O8 Si2 Ti0.612 Zr0.388 -","- Ca0.83 F Mn Na1.17 O8 Si2 Ti0.612 Zr0.388 -","- Ca3.32 F4 Mn4 Na4.68 O32 Si8 Ti2.448 Zr1.552 -","4","1","","Perchiazzi, N.; McDonald, A. M.; Gault, R. A.; Johnsen, O.; Merlino, S.","The crystal structure of normandite and its crystal-chemical relationships with lavenite","The Canadian Mineralogist","2000","38","","641","648","10.2113/gscanmin.38.3.641","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9004558","10.799","","9.801","","7.054","","90","","108.075","","90","","709.758","","","","","","","","","","","","Mont Saint-Hilaire, Quebec, Canada","8","P 1 21/a 1","-P 2yab","14","","","Normandite","- Ca0.936 F Mn0.784 Na1.28 Nb0.124 O8 Si2 Ti0.876 -","- Ca0.936 F Mn0.784 Na1.28 Nb0.124 O8 Si2 Ti0.876 -","- Ca3.744 F4 Mn3.136 Na5.12 Nb0.496 O32 Si8 Ti3.504 -","4","1","","Perchiazzi, N.; McDonald, A. M.; Gault, R. A.; Johnsen, O.; Merlino, S.","The crystal structure of normandite and its crystal-chemical relationships with lavenite","The Canadian Mineralogist","2000","38","","641","648","10.2113/gscanmin.38.3.641","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9004608","5.4044","","14.5145","","4.7052","","90","","102.798","","90","","359.917","","","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","Vayrynenite","- Be F0.08 Fe0.226 H0.92 Mn0.774 O4.92 P0.988 -","- Be F0.08 Fe0.226 H0.92 Mn0.774 O4.92 P0.988 -","- Be4 F0.32 Fe0.904 H3.68 Mn3.096 O19.68 P3.952 -","4","1","","Huminicki, D. M. C.; Hawthorne, F. C.","Refinement of the crystal structure of vayrynenite","The Canadian Mineralogist","2000","38","","1425","1432","10.2113/gscanmin.38.6.1425","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004925","12.8171","","14.4576","","12.8008","","90","","101.327","","90","","2325.84","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Strontioginorite","- B14 Ca H16 O31 Sr -","- B14 Ca H16 O31 Sr -","- B56 Ca4 H64 O124 Sr4 -","4","1","","Grice, J. D.","Strontioginorite: crystal-structure analysis and hydrogen bonding Sample: Penobsquis, Kings County, New Brunswick, Canada","The Canadian Mineralogist","2005","43","","1019","1026","10.2113/gscanmin.43.3.1019","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9004926","13.025","","8.8514","","5.8486","","90","","90.167","","90","","674.279","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","Manganilvaite","- Ca0.903 Fe2.497 H Mn0.6 O9 Si2 -","- Ca0.903 Fe2.497 H Mn0.6 O9 Si2 -","- Ca3.612 Fe9.988 H4 Mn2.4 O36 Si8 -","4","1","","Zotov, N.; Kockelmann, W.; Jacobsen, S. D.; Mitov, I.; Paneva, D.; Vassileva, R. D.; Bonev, I. K.","Structure and cation order in manganilvaite: a combined X-ray-diffraction, neutron-diffraction and mossbauer study Sample: Ossikovo Pb-Zn skarn, Rhodope Mountains, Bulgaria Sample: powder X-ray + neutron analysis","The Canadian Mineralogist","2005","43","","1043","1053","10.2113/gscanmin.43.3.1043","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004927","13.015","","8.843","","5.8396","","90","","90.11","","90","","672.088","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","Manganilvaite","- Ca Fe2.44 H Mn0.56 O9 Si2 -","- Ca Fe2.44 H Mn0.56 O9 Si2 -","- Ca4 Fe9.76 H4 Mn2.24 O36 Si8 -","4","1","","Zotov, N.; Kockelmann, W.; Jacobsen, S. D.; Mitov, I.; Paneva, D.; Vassileva, R. D.; Bonev, I. K.","Structure and cation order in manganilvaite: a combined X-ray-diffraction, neutron-diffraction and mossbauer study Sample: Ossikovo Pb-Zn skarn, Rhodope Mountains, Bulgaria Sample: single crystal X-ray analysis","The Canadian Mineralogist","2005","43","","1043","1053","10.2113/gscanmin.43.3.1043","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004961","10.484","","6.712","","14.156","","90","","101.27","","90","","976.93","","","","","","","","","","","","Cornet Hill, Apuseni Mountains, Romania","4","P 1 21/a 1","-P 2yab","14","","","Spurrite","- C Ca5 O11 Si2 -","- C Ca5 O11 Si2 -","- C4 Ca20 O44 Si8 -","4","1","","Grice, J. D.","The structure of spurrite, tilleyite and scawtite, and relationships to other silicate-carbonate minerals","The Canadian Mineralogist","2005","43","","1489","1500","10.2113/gscanmin.43.5.1489","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004962","15.082","","10.236","","7.572","","90","","105.17","","90","","1128.23","","","","","","","","","","","","Cornet Hill, Apuseni Mountains, Romania","4","P 1 21/a 1","-P 2yab","14","","","Tilleyite","- C2 Ca5 O13 Si2 -","- C2 Ca5 O13 Si2 -","- C8 Ca20 O52 Si8 -","4","1","","Grice, J. D.","The structure of spurrite, tilleyite and scawtite, and relationships to other silicate-carbonate minerals","The Canadian Mineralogist","2005","43","","1489","1500","10.2113/gscanmin.43.5.1489","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005035","10.1173","","10.4446","","7.2555","","90","","90.039","","90","","766.697","","","","","","","","","","","","Burpalinskii massif, North Transbajkal, USSR","6","P 1 21/a 1","-P 2yab","14","","","Burpalite","- Ca F2 Na2 O7 Si2 Zr -","- Ca F2 Na2 O7 Si2 Zr -","- Ca4 F8 Na8 O28 Si8 Zr4 -","4","1","","Merlino, S.; Perchiazzi, N.; Khomyakov, A. P.; Pushcharovsky, D. Y.; Kulikova, I. M.; Kuzmin, V. I.","Burpalite, a new mineral from Burpalinskii massif, North Transbajkal, USSR: its crystal structure and OD character","European Journal of Mineralogy","1990","2","","177","185","10.1127/ejm/2/2/0177","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005080","7.057","","8.707","","6.555","","90","","113.81","","90","","368.494","","","","","","","","","","","","Tyrol, Austria","6","P 1 21/a 1","-P 2yab","14","","","Titanite","- Al0.003 Ca Fe0.014 O5 Si0.982 Ti0.975 -","- Al0.003 Ca Fe0.014 O5 Si0.982 Ti0.975 -","- Al0.012 Ca4 Fe0.056 O20 Si3.928 Ti3.9 -","4","1","","Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F.","The crystal-chemistry of high-aluminium titanites","European Journal of Mineralogy","1991","3","","777","792","10.1127/ejm/3/5/0777","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005191","13.006","","8.808","","5.858","","90","","90.31","","90","","671.064","","","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Al0.09 Ca Fe2.79 H Mg0.02 Mn0.1 O9 Si2 -","- Al0.09 Ca Fe2.79 H Mg0.02 Mn0.1 O9 Si2 -","- Al0.36 Ca4 Fe11.16 H4 Mg0.08 Mn0.4 O36 Si8 -","4","1","","Carrozzini, B.","Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Cinco Villas X-2","European Journal of Mineralogy","1994","6","","465","479","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005192","13.014","","8.811","","5.852","","90","","90.07","","90","","671.027","","","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Al0.09 Ca Fe2.78 H Mg0.02 Mn0.1 O9 Si2 -","- Al0.09 Ca Fe2.78 H Mg0.02 Mn0.1 O9 Si2 -","- Al0.36 Ca4 Fe11.12 H4 Mg0.08 Mn0.4 O36 Si8 -","4","1","","Carrozzini, B.","Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Cinco Villas X-3","European Journal of Mineralogy","1994","6","","465","479","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005193","13.013","","8.802","","5.857","","90","","90.28","","90","","670.855","","","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Al0.05 Ca Fe2.91 H Mg0.02 Mn0.02 O9 Si2 -","- Al0.05 Ca Fe2.91 H Mg0.02 Mn0.02 O9 Si2 -","- Al0.2 Ca4 Fe11.64 H4 Mg0.08 Mn0.08 O36 Si8 -","4","1","","Carrozzini, B.","Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Seriphos X-3.1","European Journal of Mineralogy","1994","6","","465","479","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005194","13.008","","8.802","","5.855","","90","","90.27","","90","","670.369","","","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Al0.05 Ca1.03 Fe2.86 H Mg0.02 Mn0.01 O9 Si2 -","- Al0.05 Ca1.03 Fe2.86 H Mg0.02 Mn0.01 O9 Si2 -","- Al0.2 Ca4.12 Fe11.44 H4 Mg0.08 Mn0.04 O36 Si8 -","4","1","","Carrozzini, B.","Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Seriphos X-3.2","European Journal of Mineralogy","1994","6","","465","479","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005195","12.993","","8.825","","5.846","","90","","90.03","","90","","670.321","","","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Al0.01 Ca0.9 Fe2.48 H Mg0.02 Mn0.58 O9 Si2 -","- Al0.01 Ca0.9 Fe2.48 H Mg0.02 Mn0.58 O9 Si2 -","- Al0.04 Ca3.6 Fe9.92 H4 Mg0.08 Mn2.32 O36 Si8 -","4","1","","Carrozzini, B.","Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Oridda X-2.3","European Journal of Mineralogy","1994","6","","465","479","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005196","13.006","","8.842","","5.844","","90","","90.19","","90","","672.051","","","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Al0.01 Ca0.96 Fe2.45 H Mg0.01 Mn0.56 O9 Si2 -","- Al0.01 Ca0.96 Fe2.45 H Mg0.01 Mn0.56 O9 Si2 -","- Al0.04 Ca3.84 Fe9.8 H4 Mg0.04 Mn2.24 O36 Si8 -","4","1","","Carrozzini, B.","Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Oridda X-3.3","European Journal of Mineralogy","1994","6","","465","479","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005197","13.009","","8.838","","5.843","","90","","90.16","","90","","671.788","","","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Al0.01 Ca0.96 Fe2.45 H Mg0.01 Mn0.56 O9 Si2 -","- Al0.01 Ca0.96 Fe2.45 H Mg0.01 Mn0.56 O9 Si2 -","- Al0.04 Ca3.84 Fe9.8 H4 Mg0.04 Mn2.24 O36 Si8 -","4","1","","Carrozzini, B.","Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Oridda X-3.4 Note: O(2,1) y-coordinate changed in order to match reported bond lengths","European Journal of Mineralogy","1994","6","","465","479","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005198","13.012","","8.809","","5.849","","90","","90.02","","90","","670.428","","","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Al0.04 Ca Fe2.85 H Mg0.03 Mn0.08 O9 Si2 -","- Al0.04 Ca Fe2.85 H Mg0.03 Mn0.08 O9 Si2 -","- Al0.16 Ca4 Fe11.4 H4 Mg0.12 Mn0.32 O36 Si8 -","4","1","","Carrozzini, B.","Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Rio Marina X","European Journal of Mineralogy","1994","6","","465","479","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005583","13.14","","9.863","","6.024","","90","","103.16","","90","","760.206","","","","","","","","","","","","Val Fucinaia, Tuscany, Italy","4","P 1 21/a 1","-P 2yab","14","","","Brochantite","- Cu4 H6 O10 S -","- Cu4 H6 O10 S -","- Cu16 H24 O40 S4 -","4","1","","Merlino, S.; Perchiazzi, N.; Franco, D.","Brochantite, Cu4SO4(OH)6: OD character, polytypism and crystal structures Sample: MDO_1 polytype","European Journal of Mineralogy","2003","15","","267","275","10.1127/0935-1221/2003/0015-0267","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:33",""
"9005690","14.58","","8.024","","9.8486","","90","","111.801","","90","","1069.78","","","","","","","","","","","","Kopaonik Mt, central Serbia","4","P 1 21/a 1","-P 2yab","14","","","Nobleite","- B6 Ca H8 O14 -","- B6 Ca H8 O14 -","- B24 Ca4 H32 O56 -","4","1","","Karanovic, L.; Rosic, A.; Poleti, D.","Crystal structure of nobleite, Ca[B6O9(OH)2]*3H2O, from Jarandol (Serbia) Note: Ca analogue of tunellite","European Journal of Mineralogy","2004","16","","825","833","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005692","10.919","","10.485","","7.485","","90","","109.55","","90","","807.524","","","","","","","","","","","","Pian di Celle, Umbria, Italy","6","P 1 21/a 1","-P 2yab","14","","","Cuspidine","- Ca3.69 F2 Na0.17 O7 Si2 Zr0.14 -","- Ca3.69 F2 Na0.17 O7 Si2 Zr0.14 -","- Ca14.76 F8 Na0.68 O28 Si8 Zr0.56 -","4","1","","Bellezza, M.; Merlino, S.; Perchiazzi, N.","Chemical and structural study of the Zr,Ti-disilicates in the venanzite from Pian di Celle, Umbria, Italy","European Journal of Mineralogy","2004","16","","957","969","10.1127/0935-1221/2004/0016-0957","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005770","10.108","","4.698","","5.831","","90","","91.12","","90","","276.846","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Sarcopside","- Ni3 O8 P2 -","- Ni3 O8 P2 -","- Ni6 O16 P4 -","2","0.5","","Nord, A. G.; Stefanidis, T.","Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2 solid solutions Sample: Ni3(PO4)2","Physics and Chemistry of Minerals","1983","10","","10","15","10.1007/BF01204320","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005771","10.122","","4.7","","5.838","","90","","91.11","","90","","277.681","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Mg0.8 Ni2.2 O8 P2 -","- Mg0.8 Ni2.2 O8 P2 -","- Mg1.6 Ni4.4 O16 P4 -","2","0.5","","Nord, A. G.; Stefanidis, T.","Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2 solid solutions Sample: Ni/Mg-1a","Physics and Chemistry of Minerals","1983","10","","10","15","10.1007/BF01204320","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005772","10.154","","4.706","","5.87","","90","","90.83","","90","","280.467","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Mg1.2 Ni1.8 O8 P2 -","- Mg1.2 Ni1.8 O8 P2 -","- Mg2.4 Ni3.6 O16 P4 -","2","0.5","","Nord, A. G.; Stefanidis, T.","Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2 solid solutions Sample: Ni/Mg-2b","Physics and Chemistry of Minerals","1983","10","","10","15","10.1007/BF01204320","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005773","10.177","","4.713","","5.889","","90","","90.74","","90","","282.438","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Mg1.64 Ni1.36 O8 P2 -","- Mg1.64 Ni1.36 O8 P2 -","- Mg3.28 Ni2.72 O16 P4 -","2","0.5","","Nord, A. G.; Stefanidis, T.","Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2 solid solutions Sample: Ni/Mg-3c","Physics and Chemistry of Minerals","1983","10","","10","15","10.1007/BF01204320","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005778","15.424","","7.324","","7.0692","","90","","95.371","","90","","795.069","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Wollastonite","- Ca O3 Si -","- Ca O3 Si -","- Ca12 O36 Si12 -","12","3","","Ohashi, Y.","Polysynthetically-twinned structures of enstatite and wollastonite Sample: WO2M","Physics and Chemistry of Minerals","1984","10","","217","229","10.1007/BF00309314","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005779","13.0229","","8.7977","","5.8428","","90","","90.234","","90","","669.413","","","","5","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Ca Fe2.925 H Mn0.075 O9 Si2 -","- Ca Fe2.925 H Mn0.075 O9 Si2 -","- Ca4 Fe11.7 H4 Mn0.3 O36 Si8 -","4","1","","Ghose, S.; Hewat, A. W.; Marezio, M.","A neutron powder diffraction study of the crystal and magnetic structures of ilvaite from 305 K to 5 K - a mixed valence iron silicate with an electronic transition Sample: T = 5 K","Physics and Chemistry of Minerals","1984","11","","67","74","10.1007/BF00308007","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005780","13.023","","8.7994","","5.8422","","90","","90.231","","90","","669.479","","","","80","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Ca Fe2.825 H Mn0.175 O9 Si2 -","- Ca Fe2.825 H Mn0.175 O9 Si2 -","- Ca4 Fe11.3 H4 Mn0.7 O36 Si8 -","4","1","","Ghose, S.; Hewat, A. W.; Marezio, M.","A neutron powder diffraction study of the crystal and magnetic structures of ilvaite from 305 K to 5 K - a mixed valence iron silicate with an electronic transition Sample: T = 80 K","Physics and Chemistry of Minerals","1984","11","","67","74","10.1007/BF00308007","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005781","13.0244","","8.8006","","5.8445","","90","","90.233","","90","","669.906","","","","150","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Ca Fe2.8 H Mn0.2 O9 Si2 -","- Ca Fe2.8 H Mn0.2 O9 Si2 -","- Ca4 Fe11.2 H4 Mn0.8 O36 Si8 -","4","1","","Ghose, S.; Hewat, A. W.; Marezio, M.","A neutron powder diffraction study of the crystal and magnetic structures of ilvaite from 305 K to 5 K - a mixed valence iron silicate with an electronic transition Sample: T = 150 K","Physics and Chemistry of Minerals","1984","11","","67","74","10.1007/BF00308007","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005782","13.0207","","8.8121","","5.8609","","90","","90.249","","90","","672.472","","","","305","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Ca Fe2.75 H Mn0.25 O9 Si2 -","- Ca Fe2.75 H Mn0.25 O9 Si2 -","- Ca4 Fe11 H4 Mn O36 Si8 -","4","1","","Ghose, S.; Hewat, A. W.; Marezio, M.","A neutron powder diffraction study of the crystal and magnetic structures of ilvaite from 305 K to 5 K - a mixed valence iron silicate with an electronic transition Sample: T = 305 K","Physics and Chemistry of Minerals","1984","11","","67","74","10.1007/BF00308007","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005871","13.0387","","8.8204","","5.864","","90","","90.266","","90","","674.391","","","","295","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Ca Fe3 H O9 Si2 -","- Ca Fe3 H O9 Si2 -","- Ca4 Fe12 H4 O36 Si8 -","4","1","","Ghose, S.; Tsukimura, K.; Hatch, D. M.","Phase transitions in ilvaite, a mixed-valence iron silicate II. A single-crystal X-ray diffraction study and Landau theory of the monoclinic to orthorhombic phase transition induced by charge delocalization Sample: T = 295 K","Physics and Chemistry of Minerals","1989","16","","483","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005872","13.0398","","8.8217","","5.8644","","90","","90.244","","90","","674.595","","","","320","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Ca Fe3 H O9 Si2 -","- Ca Fe3 H O9 Si2 -","- Ca4 Fe12 H4 O36 Si8 -","4","1","","Ghose, S.; Tsukimura, K.; Hatch, D. M.","Phase transitions in ilvaite, a mixed-valence iron silicate II. A single-crystal X-ray diffraction study and Landau theory of the monoclinic to orthorhombic phase transition induced by charge delocalization Sample: T = 320 K","Physics and Chemistry of Minerals","1989","16","","483","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005873","13.0466","","8.8268","","5.8647","","90","","90.124","","90","","675.376","","","","340","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Ca Fe3 H O9 Si2 -","- Ca Fe3 H O9 Si2 -","- Ca4 Fe12 H4 O36 Si8 -","4","1","","Ghose, S.; Tsukimura, K.; Hatch, D. M.","Phase transitions in ilvaite, a mixed-valence iron silicate II. A single-crystal X-ray diffraction study and Landau theory of the monoclinic to orthorhombic phase transition induced by charge delocalization Sample: T = 340 K","Physics and Chemistry of Minerals","1989","16","","483","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005874","13.0497","","8.8291","","5.8652","","90","","90.029","","90","","675.771","","","","360","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Ca Fe3 H O9 Si2 -","- Ca Fe3 H O9 Si2 -","- Ca4 Fe12 H4 O36 Si8 -","4","1","","Ghose, S.; Tsukimura, K.; Hatch, D. M.","Phase transitions in ilvaite, a mixed-valence iron silicate II. A single-crystal X-ray diffraction study and Landau theory of the monoclinic to orthorhombic phase transition induced by charge delocalization Sample: T = 360 K","Physics and Chemistry of Minerals","1989","16","","483","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005921","7.0722","","8.7302","","6.5672","","90","","113.84","","90","","370.875","","","","294","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Ghose, S.; Ito, Y.; Hatch, D. M.","Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 294 K","Physics and Chemistry of Minerals","1991","17","","591","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005922","7.0746","","8.7373","","6.5723","","90","","113.811","","90","","371.674","","","","350","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Ghose, S.; Ito, Y.; Hatch, D. M.","Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 350 K","Physics and Chemistry of Minerals","1991","17","","591","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005923","7.073","","8.7374","","6.5716","","90","","113.804","","90","","371.574","","","","400","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Ghose, S.; Ito, Y.; Hatch, D. M.","Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 400 K","Physics and Chemistry of Minerals","1991","17","","591","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005924","7.0715","","8.7365","","6.5717","","90","","113.788","","90","","371.509","","","","430","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Ghose, S.; Ito, Y.; Hatch, D. M.","Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 430 K","Physics and Chemistry of Minerals","1991","17","","591","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005925","7.0701","","8.7405","","6.5747","","90","","113.773","","90","","371.818","","","","440","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Ghose, S.; Ito, Y.; Hatch, D. M.","Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 440 K","Physics and Chemistry of Minerals","1991","17","","591","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005926","7.0706","","8.7416","","6.5751","","90","","113.768","","90","","371.928","","","","450","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Ghose, S.; Ito, Y.; Hatch, D. M.","Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 450 K","Physics and Chemistry of Minerals","1991","17","","591","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9007339","7.0599","","8.7156","","6.5597","","90","","113.797","","90","","369.311","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Liferovich, R. P.; Mitchell, R. H.","Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0","Physics and Chemistry of Minerals","2005","32","","40","51","10.1007/s00269-004-0441-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007390","7.2252","","9.0754","","6.7851","","90","","113.51","","90","","407.978","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Ge O5 Sr Ti -","- Ge O5 Sr Ti -","- Ge4 O20 Sr4 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr100","Physics and Chemistry of Minerals","2005","32","","531","545","10.1007/s00269-005-0019-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007391","7.2125","","9.0557","","6.7692","","90","","113.52","","90","","405.394","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca0.076 Ge O5 Sr0.923 Ti -","- Ca0.076 Ge O5 Sr0.923 Ti -","- Ca0.304 Ge4 O20 Sr3.692 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr90","Physics and Chemistry of Minerals","2005","32","","531","545","10.1007/s00269-005-0019-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007392","7.1916","","9.0134","","6.7387","","90","","113.593","","90","","400.296","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca0.3 Ge O5 Sr0.699 Ti -","- Ca0.3 Ge O5 Sr0.699 Ti -","- Ca1.2 Ge4 O20 Sr2.796 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr70","Physics and Chemistry of Minerals","2005","32","","531","545","10.1007/s00269-005-0019-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007393","7.1929","","8.9996","","6.7295","","90","","113.647","","90","","399.045","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca0.389 Ge O5 Sr0.61 Ti -","- Ca0.389 Ge O5 Sr0.61 Ti -","- Ca1.556 Ge4 O20 Sr2.44 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr60","Physics and Chemistry of Minerals","2005","32","","531","545","10.1007/s00269-005-0019-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007394","7.1779","","8.9752","","6.7105","","90","","113.658","","90","","395.978","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca0.507 Ge O5 Sr0.492 Ti -","- Ca0.507 Ge O5 Sr0.492 Ti -","- Ca2.028 Ge4 O20 Sr1.968 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr50","Physics and Chemistry of Minerals","2005","32","","531","545","10.1007/s00269-005-0019-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007395","7.1757","","8.9564","","6.6988","","90","","113.708","","90","","394.188","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca0.593 Ge O5 Sr0.406 Ti -","- Ca0.593 Ge O5 Sr0.406 Ti -","- Ca2.372 Ge4 O20 Sr1.624 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr40","Physics and Chemistry of Minerals","2005","32","","531","545","10.1007/s00269-005-0019-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007396","7.1677","","8.9408","","6.6869","","90","","113.724","","90","","392.317","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca0.713 Ge O5 Sr0.286 Ti -","- Ca0.713 Ge O5 Sr0.286 Ti -","- Ca2.852 Ge4 O20 Sr1.144 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr30","Physics and Chemistry of Minerals","2005","32","","531","545","10.1007/s00269-005-0019-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007397","7.158","","8.9075","","6.663","","90","","113.766","","90","","388.806","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca0.903 Ge O5 Sr0.096 Ti -","- Ca0.903 Ge O5 Sr0.096 Ti -","- Ca3.612 Ge4 O20 Sr0.384 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr10","Physics and Chemistry of Minerals","2005","32","","531","545","10.1007/s00269-005-0019-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007429","15.025","","10.269","","7.628","","90","","105.83","","90","","1132.3","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Tilleyite","- C2 Ca5 O13 Si2 -","- C2 Ca5 O13 Si2 -","- C8 Ca20 O52 Si8 -","4","1","","Smith, J. V.","The crystal structure of tilleyite","Acta Crystallographica","1953","6","","9","18","10.1107/S0365110X53000028","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007447","10.63","","12.06","","8.405","","90","","114","","90","","984.348","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Inyoite","- B3 Ca H13 O12 -","- B3 Ca H13 O12 -","- B12 Ca4 H52 O48 -","4","1","","Clark, J. R.","Studies of borate minerals IV. The structure of inyoite, CaB3O3(OH)5*4H2O","Acta Crystallographica","1959","12","","162","170","10.1107/S0365110X59000457","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007454","12.27","","11.33","","6.11","","90","","104.2","","90","","823.453","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Lorandite","- As S2 Tl -","- As S2 Tl -","- As8 S16 Tl8 -","8","2","","Zemann, A.; Zemann, J.","Zur kenntnis der kristallstruktur von lorandit, TlAsS2","Acta Crystallographica","1959","12","","1002","1006","10.1107/S0365110X59002833","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007455","10.49","","6.705","","14.16","","90","","101.317","","90","","976.585","","","","","","","","","","","","contact zone at Scawt Hill, North Ireland","4","P 1 21/a 1","-P 2yab","14","","","Spurrite","- C Ca5 O11 Si2 -","- C Ca5 O11 Si2 -","- C4 Ca20 O44 Si8 -","4","1","","Smith, J. V.; Karle, I. L.; Hauptman, H.; Karle, J.","The crystal structure of spurrite, Ca5(SiO4)2CO3. II. Description of structure","Acta Crystallographica","1960","13","","454","458","10.1107/S0365110X60001096","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007490","9.502","","11.974","","3.24","","90","","98.75","","90","","364.347","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Malachite","- C H2 Cu2 O5 -","- C H2 Cu2 O5 -","- C4 H8 Cu8 O20 -","4","1","","Susse, P.","Verfeinerung der kristallstruktur des malachits, Cu2(OH)2CO3","Acta Crystallographica","1967","22","","146","151","10.1107/S0365110X67000222","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007579","11.8568","","9.0152","","10.1938","","90","","116.365","","90","","976.29","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Getchellite","- As S3 Sb -","- As S3 Sb -","- As8 S24 Sb8 -","8","2","","Guillermo, T. R.; Wuensch, B. J.","The crystal structure of getchellite, AsSbS3","Acta Crystallographica, Section B","1973","29","","2536","2541","10.1107/S0567740873006965","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007617","13.555","","4.976","","5.561","","90","","107.63","","90","","357.471","","","","","","","","","","","","Broken Hill NSW, Australia","3","P 1 21/a 1","-P 2yab","14","","","Raspite","- O4 Pb W -","- O4 Pb W -","- O16 Pb4 W4 -","4","1","","Fujita, T.; Kawada, I.; Kato, K.","Raspite from Broken Hill","Acta Crystallographica, Section B","1977","33","","162","164","10.1107/S056774087700291X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007641","11.147","","20.35","","8.202","","90","","92.69","","90","","1858.5","","","","","","","","","","","","Sterling Hill, New Jersey, USA","6","P 1 21/a 1","-P 2yab","14","","","Mooreite","- H42 Mg9 Mn1.882 O42 S2 Zn4 -","- H42 Mg9 Mn1.882 O42 S2 Zn4 -","- H84 Mg18 Mn3.764 O84 S4 Zn8 -","2","0.5","","Hill, R. J.","The structure of mooreite Note: Isotropic and anisotropic displacement factors taken from ICSD","Acta Crystallographica, Section B","1980","36","","1304","1311","10.1107/S0567740880005985","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9007777","6.578","","23.811","","6.61","","90","","90.57","","90","","1035.27","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C3 H8 Ag Ba O9 P -","- C3 H8 Ag Ba O9 P -","- C12 H32 Ag4 Ba4 O36 P4 -","4","1","","Weichsel, A.; Lis, T.","Structure of silver(I) barium phosphoenolpyruvate trihydrate","Acta Crystallographica, Section C","1990","46","","962","965","10.1107/S0108270189010188","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007805","7.4748","","9.9406","","7.5175","","90","","99.722","","90","","550.558","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Cu H4 O6 P2 -","- Cu H4 O6 P2 -","- Cu4 H16 O24 P8 -","4","1","","Sghyar, P. M.; Durand, J.; Cot, L.; Rafiq, M.","Structure de Cu(HPO3H)2","Acta Crystallographica, Section C","1990","46","","1378","1381","10.1107/S0108270189013703","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007954","12.274","","13.169","","9.754","","90","","108.64","","90","","1493.9","","","","","","","","","","","","Big Fish River area, Yukon Territory, Canada","5","P 1 21/a 1","-P 2yab","14","","","Wolfeite","- Fe1.839 H Mg0.161 O5 P -","- Fe1.83918 H Mg0.160825 O5 P -","- Fe29.4268 H16 Mg2.5732 O80 P16 -","16","4","","Kolitsch, U.","Mg-rich wolfeite, (Fe,Mg)2(PO4)(OH): structure refinement and Raman spectroscopic data","Acta Crystallographica, Section E","2003","59","","i125","i128","10.1107/S1600536803017537","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008072","15.57","","18.98","","4.03","","90","","91.8","","90","","1190.35","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Jamesonite","- Fe Pb4 S14 Sb6 -","- Fe Pb4 S14 Sb6 -","- Fe2 Pb8 S28 Sb12 -","2","0.5","","Niizeki, N.; Buerger, M. J.","The crystal structure of jamesonite, FePb4Sb6S14","Zeitschrift fur Kristallographie","1957","109","","161","183","10.1524/zkri.1957.109.1-6.161","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008073","7.53","","12.79","","5.95","","90","","92.23","","90","","572.603","","","","","","","","","","","","Hiendelaencina, Spain","4","P 1 21/a 1","-P 2yab","14","","","Freieslebenite","- Ag Pb S3 Sb -","- Ag Pb S3 Sb -","- Ag4 Pb4 S12 Sb4 -","4","1","","Hellner, E.","Uber komplex zusammengesetzte sulfidische erze. II. Zur struktur des freieslebenits, PbAgSbS3","Zeitschrift fur Kristallographie","1957","109","","284","295","10.1524/zkri.1957.109.1-6.284","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008078","5.411","","14.49","","4.73","","90","","102.75","","90","","361.713","","","","","","","","","","","","the Viitaniemi pegmatite in the parish of Erajarvi in central Finland","6","P 1 21/a 1","-P 2yab","14","","","Vayrynenite","- Be Fe0.1 H Mn0.8 O5 P -","- Be Fe0.15 Mn0.85 O5 P -","- Be4 Fe0.6 Mn3.4 O20 P4 -","4","1","","Mrose, M. E.; Appleman, D. E.","The crystal structures and crystal chemistry of vayrynenite, (Mn,Fe)Be(PO4)(OH), and euclase, AlBe(SiO4)(OH) Locality: the Viitaniemi pegmatite in the parish of Erajarvi in central Finland","Zeitschrift fur Kristallographie","1962","117","","16","36","10.1524/zkri.1962.117.1.16","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008079","4.763","","14.29","","4.618","","90","","100.25","","90","","309.3","","","","","","","","","","","","Villa Rica, Minas Gerais, Brazil","5","P 1 21/a 1","-P 2yab","14","","","Euclase","- Al Be H O5 Si -","- Al Be H O5 Si -","- Al4 Be4 H4 O20 Si4 -","4","1","","Mrose, M. E.; Appleman, D. E.","The crystal structures and crystal chemistry of vayrynenite, (Mn,Fe)Be(PO4)(OH), and euclase, AlBe(SiO4)(OH)","Zeitschrift fur Kristallographie","1962","117","","16","36","10.1524/zkri.1962.117.1.16","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9008087","9.324","","12.597","","6.211","","90","","107.14","","90","","697.11","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Boussingaultite","- H20 Mg N2 O14 S2 -","- H20 Mg N2 O14 S2 -","- H40 Mg2 N4 O28 S4 -","2","0.5","","Margulis, T. N.; Templeton, D. H.","Crystal structure and hydrogen bonding of magnesium ammonium sulfate hexahydrate","Zeitschrift fur Kristallographie","1962","117","","344","357","10.1524/zkri.1962.117.5-6.344","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008113","9.072","","12.212","","6.113","","90","","104.83","","90","","654.683","","","","","","","","","","","","Synthetic","5","P 1 21/a 1","-P 2yab","14","","","Picromerite","- H12 K2 Mg O14 S2 -","- H12 K2 Mg O14 S2 -","- H24 K4 Mg2 O28 S4 -","2","0.5","","Kannan, K. K.; Viswamitra, M. A.","Crystal structure of magnesium potassium sulfate hexahydrate MgK2(SO4)2*6(H2O) Locality: synthetic","Zeitschrift fur Kristallographie","1965","122","","161","174","10.1524/zkri.1965.122.3-4.161","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008115","25.16","","7.94","","8.47","","90","","100.47","","90","","1663.88","","","","","","","","","","","","Lengenbach quarry, Binnatal, Switzerland","3","P 1 21/a 1","-P 2yab","14","","","Rathite","- As5 Pb3 S10 -","- As5 Pb3 S10 -","- As20 Pb12 S40 -","4","1","","Marumo, F.; Nowacki, W.","The crystal structure of rathite-I","Zeitschrift fur Kristallographie","1965","122","","433","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008138","7.2705","","12.6319","","5.9853","","90","","91.228","","90","","549.565","","","","","","","","","","","","Lengenbach quarry, Binnatal, Switzerland","4","P 1 21/a 1","-P 2yab","14","","","Marrite","- Ag As Pb S3 -","- Ag As Pb S3 -","- Ag4 As4 Pb4 S12 -","4","1","","Wuensch, B. J.; Nowacki, W.","The crystal structure of marrite, PbAgAsS3","Zeitschrift fur Kristallographie","1967","125","","459","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008151","15.426","","7.32","","7.066","","90","","95.404","","90","","794.335","","","","","","","","","","","","Crestmore, California, USA","3","P 1 21/a 1","-P 2yab","14","","","Wollastonite-2M","- Ca O3 Si -","- Ca O3 Si -","- Ca12 O36 Si12 -","12","3","","Trojer, F. J.","The crystal structure of parawollastonite","Zeitschrift fur Kristallographie","1968","127","","291","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008190","12.366","","13.276","","9.943","","90","","108.23","","90","","1550.42","","","","","","","","","","","","Branchville, Connecticut, USA","5","P 1 21/a 1","-P 2yab","14","","","Triploidite","- Fe0.5 H Mn1.5 O5 P -","- Fe0.5 H Mn1.5 O5 P -","- Fe8 H16 Mn24 O80 P16 -","16","4","","Waldrop, L.","The crystal structure of triploidite and its relation to the structures of other minerals of the triplite-triploidite group Refinement with reflections for which I > 1.2Imin, this is the poorer refinement Locality: Branchville, Connecticut, USA","Zeitschrift fur Kristallographie","1970","131","","1","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9008191","12.366","","13.276","","9.943","","90","","108.23","","90","","1550.42","","","","","","","","","","","","Branchville, Connecticut, USA","5","P 1 21/a 1","-P 2yab","14","","","Triploidite","- Fe0.5 H Mn1.5 O5 P -","- Fe0.5 H Mn1.5 O5 P -","- Fe8 H16 Mn24 O80 P16 -","16","4","","Waldrop, L.","The crystal structure of triploidite and its relation to the structures of other minerals of the triplite-triploidite group Refinement with all F_o's, this is the better refinement","Zeitschrift fur Kristallographie","1970","131","","1","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9008201","6.593","","10.488","","6.365","","90","","113.38","","90","","403.986","","","","","","","","","","","","salt deposits near Diepholz, Germany","4","P 1 21/a 1","-P 2yab","14","","","Fabianite","- B3 Ca H O6 -","- B3 Ca H O6 -","- B12 Ca4 H4 O24 -","4","1","","Konnert, J. A.; Clark, J. R.; Christ, C. L.","Crystal structure of fabianite, CaB3O5(OH), and comparison with the structure of its syntheic dimorph","Zeitschrift fur Kristallographie","1970","132","","241","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:22",""
"9008280","7.148","","12.334","","7.112","","90","","120.3","","90","","541.365","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","Coesite","- O2 Si -","- O2 Si -","- O32 Si16 -","16","4","","Kirfe, A.; Will, G.; Arndt, J.","A new phase of coesite SiO2 Note: this is a synthetic, twinned crystal of a typical coesite, it is not really a new phase","Zeitschrift fur Kristallographie","1979","149","","315","326","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008582","12.85","","8.07","","9.31","","90","","93.133","","90","","963.999","","","","","","","","","","","","","1","P 1 21/a 1","-P 2yab","14","Selenium","","Selenium","- Se8 -","- Se8 -","- Se32 -","4","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample is the beta form of the monoclinic phase","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9009151","5.555","","6.671","","6.127","","90","","114.88","","90","","205.978","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Belloite","- Cl Cu H O -","- Cl Cu H O -","- Cl4 Cu4 H4 O4 -","4","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","282","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009343","16.088","","15.576","","7.102","","90","","90.22","","90","","1779.65","","","","","","","","","","","","Bastenberg mine, Ramsbeck, Sauerland, Germany","6","P 1 21/a 1","-P 2yab","14","","","Ramsbeckite","- Cu11 H34 O28 Os16 S4 Zn4 -","- Cu11 H34 O28 Os16 S4 Zn4 -","- Cu22 H68 O56 Os32 S8 Zn8 -","2","0.5","","Effenberger, H.","Ramsbeckite, (Cu,Zn)15(OH)22(SO4)4*6(H2O): Revision of the chemical formula based on a structure determination","Neues Jahrbuch fur Mineralogie, Monatshefte","1988","1988","","38","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009487","16.681","","8.043","","7.281","","90","","102.56","","90","","953.48","","","","","","","","","","","","Laurion, Greece","5","P 1 21/a 1","-P 2yab","14","","","Fiedlerite","- Cl4 F H3 O2 Pb3 -","- Cl4 F H3 O2 Pb3 -","- Cl16 F4 H12 O8 Pb12 -","4","1","","Merlino, S.; Pasero, M.; Perchiazzi, N.","Fiedlerite: revised chemical formula Pb3Cl4F(OH)*(H2O), OD description and crystal structure refinement of the two MDO polytypes Note: 2M_1 polytype","Mineralogical Magazine","1994","58","","69","78","10.1180/minmag.1994.058.390.07","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009547","10.35","","12.9","","4.73","","90","","102","","90","","617.726","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Kovdorskite","- H7 Mg2 O8 P -","- H7 Mg2 O8 P -","- H28 Mg8 O32 P4 -","4","1","","Ovchinnikov, V. E.; Soloveva, L. P.; Pudovkina, Z. V.; Kapustin Yu, L.; Belov, N. V.","The crystal structure of kovdorskite Mg2(PO4)(OH)*3(H2O)","Doklady Akademii Nauk SSSR","1980","255","","351","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009577","12.779","","13.596","","10.208","","90","","108.88","","90","","1678.15","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Sarkinite","- As H Mn2 O5 -","- As H Mn2 O5 -","- As16 H16 Mn32 O80 -","16","4","","Dal Negro, A.; Giuseppetti, G.; Pozas, J. M. M.","The crystal structure of sarkinite, Mn2AsO4(OH)","Tschermaks Mineralogische und Petrographische Mitteilungen","1974","21","","246","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009614","5.894","","16.116","","4.612","","90","","106.54","","90","","419.956","","","","","","","","","","","","Mountain Pass mine, San Bernardino County, California","6","P 1 21/a 1","-P 2yab","14","","","Sahamalite-(Ce)","- C4 Ce Fe0.14 La Mg0.86 O12 -","- C4 Ce Fe0.14 La Mg0.86 O12 -","- C8 Ce2 Fe0.28 La2 Mg1.72 O24 -","2","0.5","","Pertlik, F.; Preisinger, A.","Crystal structure of sahamalite (Mg,Fe)RE2(CO3)4","Tschermaks Mineralogische und Petrographische Mitteilungen","1983","31","","39","46","10.1007/BF01084760","","","","","","","","","","","","","","","","","","","","","has coordinates","288653","2024-01-03","17:00:04",""
"9009625","26.56","","15.256","","6.505","","90","","92.9","","90","","2632.45","","","","","","","","","","","","Synthetic","5","P 1 21/a 1","-P 2yab","14","","","Bayleyite","- C3 H44 Mg2 O29 U -","- C3 H36 Mg2 O29 U -","- C12 H144 Mg8 O116 U4 -","4","1","","Mayer, H.; Mereiter, K.","Synthetic bayleyite, Mg2[UO2(CO3)3]*18H2O: Thermochemistry, crystallography and crystal structure","Tschermaks Mineralogische und Petrographische Mitteilungen","1986","35","","133","146","10.1007/BF01140845","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9009701","13.37","","7.16","","7.11","","90","","106","","90","","654.268","","","","","","","","","","","","Mounana, Gabon","3","P 1 21/a 1","-P 2yab","14","","","Chervetite","- O7 Pb2 V2 -","- O7 Pb2 V2 -","- O28 Pb8 V8 -","4","1","","Kawahara, A.","La structure cristalline de la chervetite","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie","1967","90","","279","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009714","13.704","","16.82","","9.332","","90","","111.5","","90","","2001.36","","","","","","","","","","","","Kobokobo, Kivu, Democratic Republic of the Congo","5","P 1 21/a 1","-P 2yab","14","","","Upalite","- Al H15 O23 P2 U3 -","- Al H15 O23 P2 U3 -","- Al4 H60 O92 P8 U12 -","4","1","","Piret, P.; Declercq, J.-P.","Structure cristalline de l'upalite Al[(UO2)3O(OH)(PO4)2]*7H2O. Un exemple de macle mimetique","Bulletin de Mineralogie","1983","106","","383","389","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009720","11.111","","7.986","","4.643","","90","","90.41","","90","","411.974","","","","","","","","","","","","Richelle, Belgium","6","P 1 21/a 1","-P 2yab","14","","","Drugmanite","- Al0.22 Fe0.78 H O10 P2 Pb2 -","- Al0.22 Fe0.78 H O10 P2 Pb2 -","- Al0.44 Fe1.56 H2 O20 P4 Pb4 -","2","0.5","","King, G. S. D.; Sengier-Roberts L","Drugmanite, Pb2(Fe0.78Al0.22)H(PO4)2(OH)2: Its crystal structure and place in the datolite group Note: anisoU's taken from ICSD","Bulletin de Mineralogie","1988","111","","431","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9009875","8.15","","8.18","","6.35","","90","","101.083","","90","","415.44","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C2 H10 Cu O8 -","- C2 H10 Cu O8 -","- C4 H20 Cu2 O16 -","2","0.5","","Okada, K.; Kay, M. I.; Cromer, D. T.; Almodovar, I.","Crystal structure by neutron diffraction and the antiferroelectric phase transition in copper formate tetrahydrate","Journal of Chemical Physics","1966","44","","1648","1653","10.1063/1.1726904","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9009877","10.541","","4.646","","9.324","","90","","100.43","","90","","449.084","","","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Ludlamite","- Fe3 H8 O12 P2 -","- Fe3 H8 O12 P2 -","- Fe6 H16 O24 P4 -","2","0.5","","Abrahams, S. C.; Bernstein, J. L.","Crystal structure of paramagnetic ludlamite, Fe3(PO4)2*4(H2O), at 298 K Sample: T = 298 K","Journal of Chemical Physics","1966","44","","2223","2229","10.1063/1.1727026","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009878","10.541","","4.638","","9.285","","90","","100.728","","90","","446.002","","","","4.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Ludlamite","- Fe3 H8 O12 P2 -","- Fe3 H8 O12 P2 -","- Fe6 H16 O24 P4 -","2","0.5","","Abrahams, S. C.","Ferromagnetic and crystal structure of ludlamite, Fe3(PO4)2*4(H2O), at 4.2 K Sample: T = 4.2 K","Journal of Chemical Physics","1966","44","","2230","2237","10.1063/1.1727027","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009975","16.11","","4.7","","10.1","","90","","110.9","","90","","714.425","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","Carpathit","- C24 H12 -","- C24 H12 -","- C48 H24 -","2","0.5","","Fawcett J K; Trotter J","The crystal and molecular structure of coronene Locality: synthetic","Proceedings of the Royal Society of London A","1966","289","","366","376","10.1098/rspa.1966.0017","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:21",""
"9010021","9.072","","9.588","","8.577","","90","","90.21","","90","","746.042","","","","","","","","","","","","Benallt Mine, Carnarvonshire, U.K.","4","P 1 21/a 1","-P 2yab","14","","","Paracelsian","- Al2 Ba O8 Si2 -","- Al2 Ba O8 Si2 -","- Al8 Ba4 O32 Si8 -","4","1","","Chiari, G.; Gazzoni, G.; Craig, J. R.; Gibbs, G. V.; Louisnathan, S. J.","Two independent refinements of the structure of paracelsian, BaAl2Si2O8 Sample: CG refinement","American Mineralogist","1985","70","","969","974","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010022","9.065","","9.568","","8.578","","90","","90.01","","90","","744.004","","","","","","","","","","","","Benallt Mine, Carnarvonshire, U.K.","4","P 1 21/a 1","-P 2yab","14","","","Paracelsian","- Al2 Ba O8 Si2 -","- Al2 Ba O8 Si2 -","- Al8 Ba4 O32 Si8 -","4","1","","Chiari, G.; Gazzoni, G.; Craig, J. R.; Gibbs, G. V.; Louisnathan, S. J.","Two independent refinements of the structure of paracelsian, BaAl2Si2O8 Sample: CLG refinement","American Mineralogist","1985","70","","969","974","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010243","15.195","","5.6298","","3.7088","","90","","104.534","","90","","307.116","","","","","","","","0","","","","","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite (deuterated)","- C D K O3 -","- C D K O3 -","- C4 D4 K4 O12 -","4","1","","Allan, D. R.; Marshall, W. G.; Pulham, C. R.","The high-pressure crystal structure of potassium hydrogen carbonate (KHCO3) Note: Kalicinite-type structure Sample: P = 0.00 GPa","American Mineralogist","2007","92","","1018","1025","10.2138/am.2007.2336","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010244","15.097","","5.6144","","3.6932","","90","","104.11","","90","","303.593","","","","","","","","300000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite (deuterated)","- C D K O3 -","- C D K O3 -","- C4 D4 K4 O12 -","4","1","","Allan, D. R.; Marshall, W. G.; Pulham, C. R.","The high-pressure crystal structure of potassium hydrogen carbonate (KHCO3) Note: Kalicinite-type structure Sample: P = 0.30 GPa","American Mineralogist","2007","92","","1018","1025","10.2138/am.2007.2336","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010245","14.945","","5.588","","3.6691","","90","","103.538","","90","","297.902","","","","","","","","740000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite (deuterated)","- C D K O3 -","- C D K O3 -","- C4 D4 K4 O12 -","4","1","","Allan, D. R.; Marshall, W. G.; Pulham, C. R.","The high-pressure crystal structure of potassium hydrogen carbonate (KHCO3) Note: Kalicinite-type structure Sample: P = 0.74 GPa","American Mineralogist","2007","92","","1018","1025","10.2138/am.2007.2336","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010246","14.803","","5.5641","","3.6509","","90","","103.021","","90","","292.976","","","","","","","","1170000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite (deuterated)","- C D K O3 -","- C D K O3 -","- C4 D4 K4 O12 -","4","1","","Allan, D. R.; Marshall, W. G.; Pulham, C. R.","The high-pressure crystal structure of potassium hydrogen carbonate (KHCO3) Note: Kalicinite-type structure Sample: P = 1.17 GPa","American Mineralogist","2007","92","","1018","1025","10.2138/am.2007.2336","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010247","14.663","","5.5384","","3.6323","","90","","102.527","","90","","287.955","","","","","","","","1670000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite (deuterated)","- C D K O3 -","- C D K O3 -","- C4 D4 K4 O12 -","4","1","","Allan, D. R.; Marshall, W. G.; Pulham, C. R.","The high-pressure crystal structure of potassium hydrogen carbonate (KHCO3) Note: Kalicinite-type structure Sample: P = 1.67 GPa","American Mineralogist","2007","92","","1018","1025","10.2138/am.2007.2336","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010248","14.545","","5.5216","","3.6211","","90","","102.132","","90","","284.322","","","","","","","","2100000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite (deuterated)","- C D K O3 -","- C D K O3 -","- C4 D4 K4 O12 -","4","1","","Allan, D. R.; Marshall, W. G.; Pulham, C. R.","The high-pressure crystal structure of potassium hydrogen carbonate (KHCO3) Note: Kalicinite-type structure Sample: P = 2.10 GPa","American Mineralogist","2007","92","","1018","1025","10.2138/am.2007.2336","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010249","14.419","","5.5011","","3.6093","","90","","101.731","","90","","280.311","","","","","","","","2500000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite (deuterated)","- C D K O3 -","- C D K O3 -","- C4 D4 K4 O12 -","4","1","","Allan, D. R.; Marshall, W. G.; Pulham, C. R.","The high-pressure crystal structure of potassium hydrogen carbonate (KHCO3) Note: Kalicinite-type structure Sample: P = 2.50 GPa","American Mineralogist","2007","92","","1018","1025","10.2138/am.2007.2336","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010250","14.33","","5.4868","","3.6024","","90","","101.457","","90","","277.598","","","","","","","","2840000","","","","","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite (deuterated)","- C D K O3 -","- C D K O3 -","- C4 D4 K4 O12 -","4","1","","Allan, D. R.; Marshall, W. G.; Pulham, C. R.","The high-pressure crystal structure of potassium hydrogen carbonate (KHCO3) Note: Kalicinite-type structure Sample: P = 2.84 GPa","American Mineralogist","2007","92","","1018","1025","10.2138/am.2007.2336","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010291","16.094","","4.69","","10.049","","90","","110.79","","90","","709.119","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","Carpathite/Karpalite?","- C24 H12 -","- C24 H12 -","- C48 H24 -","2","0.5","","Echigo, T.; Kimata, M.; Maruoka, T.","Crystal-chemical and carbon-isotopic characteristics of karpatite (C24H12) from the Picacho Peak Area, San Benito County, California: Evidences for the hydrothermal formation Locality: Picacho Peak Area, San Benito County, California, USA","American Mineralogist","2007","92","","1262","1269","10.2138/am.2007.2509","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:21",""
"9010433","10.755","","15.353","","5.281","","90","","96.17","","90","","866.956","","","","1160","","","","","","","","Lemesurier Island, Alaska","4","P 1 21/a 1","-P 2yab","14","","","Palygorskite","- Al Mg O10.4 Si4 -","- Al Mg O10.4 Si4 -","- Al4 Mg4 O41.6 Si16 -","4","1","","Post, J. E.; Heaney, P. J.","Synchotron powder X-ray diffraction study of the structure and dehydration behavior of palygorskite Sample: T = 1160 K","American Mineralogist","2008","93","","667","675","10.2138/am.2008.2590","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010670","12.586","","10.415","","3.134","","90","","95.923","","90","","408.622","","","","","","","","","","","","Penobsquis, Kings County, New Brunswick, Canada","4","P 1 21/a 1","-P 2yab","14","","","Szaibelyite","- B H Mg O3 -","- B H Mg O3 -","- B8 H8 Mg8 O24 -","8","2","","Grice, J. D.","Szaibelyite: Crystal structure analysis and hydrogen bonding","The Canadian Mineralogist","2008","46","","671","677","10.3749/canmin.46.3.671","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010770","12.0613","","9.3653","","3.1361","","90","","98.085","","90","","350.726","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Glaukosphaerite","- C H2 Cu1.5 Ni0.5 O5 -","- C H2 Cu1.5 Ni0.5 O5 -","- C4 H8 Cu6 Ni2 O20 -","4","1","","Perchiazzi, N.; Merlino, S.","The malachite-rosasite group: crystal structures of glaukosphaerite and pokrovskite","European Journal of Mineralogy","2006","18","","787","792","10.1127/0935-1221/2006/0018-0787","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010771","12.2396","","9.3506","","3.1578","","90","","96.445","","90","","359.119","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Pokrovskite","- C H2 Mg1.76 O5 -","- C H2 Mg1.76 O5 -","- C4 H8 Mg7.04 O20 -","4","1","","Perchiazzi, N.; Merlino, S.","The malachite-rosasite group: crystal structures of glaukosphaerite and pokrovskite","European Journal of Mineralogy","2006","18","","787","792","10.1127/0935-1221/2006/0018-0787","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010838","12.396","","9.407","","3.2152","","90","","97.78","","90","","371.471","","","","","","","","","","","","Dronino meteorite, Dronino village, Kasimov district, Ryazan Oblast, Russia","4","P 1 21/a 1","-P 2yab","14","","","Chukanovite","- C H2 Fe2 O5 -","- C H2 Fe2 O5 -","- C4 H8 Fe8 O20 -","4","1","","Pekov, I. V.; Perchiazzi, N.; Merlino, S.; Kalachev, V. N.; Merlini, M.; Zadov, A. E.","Chukanovite, Fe2(CO3)(OH)2, a new mineral from the weathered iron meteorite Dronino Locality: Dronino meteorite, Dronino village, Kasimov district, Ryazan Oblast, Russia","European Journal of Mineralogy","2007","19","","891","898","10.1127/0935-1221/2007/0019-1767","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010971","15.11","","5.67","","3.71","","90","","103.75","","90","","308.741","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Kalicinite","- C K O3 -","- C K O3 -","- C4 K4 O12 -","4","1","","Nitta, I.; Tomiie, Y.; Koo, C. H.","The crystal structure of potassium bicarbonate, KHCO3","Acta Crystallographica","1952","5","","292","292","10.1107/S0365110X52000848","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010976","12.85","","8.07","","9.31","","90","","93.13","","90","","964.002","","","","","","","","","","","","Synthetic","1","P 1 21/a 1","-P 2yab","14","","","Selenium","- Se8 -","- Se8 -","- Se32 -","4","1","","Marsh, R. E.; Pauling, L.; McCullough, J. D.","The crystal structure of beta-selenium Note: structure known as beta phase Note: cell parameters taken from Acta Crystallographica 5 (1952) 236-246","Acta Crystallographica","1953","6","","71","75","10.1107/S0365110X53000168","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010981","15.176","","5.63","","3.708","","90","","104.52","","90","","306.696","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Kalicinite","- C K O3 -","- C K O3 -","- C4 K4 O12 -","4","1","","Nitta, I.; Tomiie, Y.; Koo, C. H.","On the relation among the results of various investigations on potassium bicarbonate, KHCO3","Acta Crystallographica","1954","7","1","140","141","10.1107/S0365110X54000400","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9011018","11.05","","8.23","","5.54","","90","","100.58","","90","","495.251","","","","","","","","","","","","Synthetic","5","P 1 21/a 1","-P 2yab","14","","","Changoite","- H8 Na2 O12 S2 Zn -","- H8 Na2 O12 S2 Zn -","- H16 Na4 O24 S4 Zn2 -","2","0.5","","Giglio, M.","Die kristallstruktur von Na2Zn(SO4)2*4H2O (Zn-blodit)","Acta Crystallographica","1958","11","","789","794","10.1107/S0365110X5800222X","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011061","14.464","","7.403","","6.208","","90","","65.1","","90","","602.943","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Uricite","- C5 H4 N4 O3 -","- C5 H4 N4 O3 -","- C20 H16 N16 O12 -","4","1","","Ringertz, H.","The molecular and crystal structure of uric acid","Acta Crystallographica","1966","20","","397","403","10.1107/S0365110X66000914","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011066","15.81","","3.942","","7.895","","90","","102.72","","90","","479.964","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Hoelite","- C7 H4 O -","- C7 H4 O -","- C28 H16 O4 -","4","1","","Prakash, A.","Refinement of the crystal structure of anthraquinone","Acta Crystallographica","1967","22","","439","440","10.1107/S0365110X67000878","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011085","12.329","","4.848","","8.133","","90","","104.24","","90","","471.181","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Natrosilite","- Na2 O5 Si2 -","- Na2 O5 Si2 -","- Na8 O20 Si8 -","4","1","","Pant, A. K.","A reconsideration of the crystal structure of beta-Na2Si2O5","Acta Crystallographica, Section B","1968","24","","1077","1083","10.1107/S0567740868003729","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011210","13.836","","20.918","","9.428","","90","","112.44","","90","","2522.05","","","","","","","","","","","","Kobokobo, Kivu, Zaire","4","P 1 21/a 1","-P 2yab","14","","","Phuralumite","- Al2 O30 P2 U3 -","- Al2 O30 P2 U3 -","- Al8 O120 P8 U12 -","4","1","","Piret, P.; Piret-Meunier J; Declercq, J. P.","Structure of phuralumite","Acta Crystallographica, Section B","1979","35","","1880","1882","10.1107/S0567740879007950","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011242","6.17","","8.171","","5.648","","90","","116.24","","90","","255.401","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Juangodoyite","- C2 Cu Na2 O6 -","- C2 Cu Na2 O6 -","- C4 Cu2 Na4 O12 -","2","0.5","","Maslen, E. N.; Spadaccini, N.; Watson, K. J.","Electron density in non-ideal metal complexes. II. Sodium bis(carbonato)cuprate(II)","Acta Crystallographica, Section B","1986","42","5","430","436","10.1107/S0108768186097926","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011248","31.276","","3.7818","","21.663","","90","","124.22","","90","","2118.72","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C19 H9 -","- C19 H9 -","- C152 H72 -","8","2","","Marsh, R. E.; Herbstein, F. H.","More space group changes","Acta Crystallographica, Section B: Structural Science","1988","44","1","77","88","10.1107/s0108768187009492","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011353","9.786","","7.621","","4.776","","90","","90.61","","90","","356.17","","","","","","","","","","","","Stoko, Brevig, Langesundfjord, Norway","7","P 1 21/a 1","-P 2yab","14","","","Homilite","- B2 Ca2 Fe0.9 H0.14 Mn0.03 O10 Si2 -","- B2 Ca2 Fe0.9 H0.14 Mn0.03 O10 Si2 -","- B4 Ca4 Fe1.8 H0.28 Mn0.06 O20 Si4 -","2","0.5","","Miyawaki, R.; Nakai, I.; Nagashima, K.","Structure of homilite, Ca2.00(Fe0.90Mn0.03)B2.00Si2.00O9.86(OH)0.14 Note: anisoB's form ICSD","Acta Crystallographica, Section C","1985","41","","13","15","10.1107/S010827018500261X","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9011369","9.167","","12.405","","6.305","","90","","106.71","","90","","686.707","","","","","","","","","","","","Synthetic","5","P 1 21/a 1","-P 2yab","14","","","Mohrite","- Fe H20 N2 O14 S2 -","- Fe H20 N2 O14 S2 -","- Fe2 H40 N4 O28 S4 -","2","0.5","","Figgis, B. N.; Kucharski, E. S.; Reynolds, P. A.; Tasset, F.","The structure of (ND4)2Fe(SO4)2*6D2O at 4.3 K by neutron diffraction","Acta Crystallographica, Section C","1989","45","","942","944","10.1107/S0108270188013903","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9011415","15.81","","3.942","","7.865","","90","","102.72","","90","","478.141","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Hoelite","- C7 H4 O -","- C7 H4 O -","- C28 H16 O4 -","4","1","","Murty, B. V. R.","Refinement of the structure of anthraquinone","Zeitschrift fur Kristallographie","1960","113","","445","465","10.1524/zkri.1960.113.1-6.445","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011417","8.17","","5.316","","11.761","","90","","95.25","","90","","508.658","","","","","","","","","","","","Franklin, New Jersey","5","P 1 21/a 1","-P 2yab","14","","","Hodgkinsonite","- H2 Mn O6 Si Zn2 -","- H2 Mn O6 Si Zn2 -","- H8 Mn4 O24 Si4 Zn8 -","4","1","","Rentzeperis, P. J.","The crystal structure of hodgkinsonite Zn2Mn[(OH)2|SiO4] Note: y(H2) corrected","Zeitschrift fur Kristallographie","1963","119","","117","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011426","12.28","","11.3","","6.1","","90","","104.5","","90","","819.499","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Lorandite","- As S2 Tl -","- As S2 Tl -","- As8 S16 Tl8 -","8","2","","Fleet, M. E.","The crystal structure and bonding of lorandite, Tl2As2S4","Zeitschrift fur Kristallographie","1973","138","","147","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011427","7.518","","12.809","","5.94","","90","","92.25","","90","","571.569","","","","","","","","","","","","Vascongadas, Spain","4","P 1 21/a 1","-P 2yab","14","","","Freieslebenite","- Ag Pb S3 Sb -","- Ag Pb S3 Sb -","- Ag4 Pb4 S12 Sb4 -","4","1","","Ito, T.; Nowacki, W.","The crystal structure of freieslebenite, PbAgSbS3","Zeitschrift fur Kristallographie","1974","139","","85","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011452","15.409","","7.322","","7.063","","90","","95.3","","90","","793.474","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Wollastonite-2M","- Ca O3 Si -","- Ca O3 Si -","- Ca12 O36 Si12 -","12","3","","Hesse, K.-F.","Refinement of the crystal structure of wollastonite-2M (parawollastonite)","Zeitschrift fur Kristallographie","1984","168","","93","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011731","12.296","","11.313","","6.114","","90","","104.21","","90","","824.463","","","","","","","","","","","","Crven Dol, Allchar, Republic of Macedonia","3","P 1 21/a 1","-P 2yab","14","","","Lorandite","- As S2 Tl -","- As S2 Tl -","- As8 S16 Tl8 -","8","2","","Balic-Zunic T; Makovicky, E.; Moelo, Y.","Contributions to the crystal chemistry of thallium sulphosalts III. The crystal structure of lorandite (TlAsS2) and its relation to weissbergite (TlSbS2)","Neues Jahrbuch fur Mineralogie, Abhandlungen","1995","168","","213","235","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011779","9.846","","7.6","","4.766","","90","","90.11","","90","","356.637","","","","","","","","","","","","","10","P 1 21/a 1","-P 2yab","14","","","Datolite","- B Be Ca0.9 Ce0.26 Fe0.25 H1.3 Mn0.05 O10 Si2 Y0.84 -","- B Be Ca0.9 Ce0.26 Fe0.25 H1.3 Mn0.05 O10 Si2 Y0.84 -","- B2 Be2 Ca1.8 Ce0.52 Fe0.5 H2.6 Mn0.1 O20 Si4 Y1.68 -","2","0.5","","Rastsvetaeva, R. K.; Pushcharovsky, D. Y.; Pekov, I. V.; Voloshin, A. V.","Crystal structure of calcybeborosilite and its place in the datolite-gadolinite isomorphous series","Kristallografiya","1996","41","","235","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011836","9.62","","7.6","","4.84","","90","","90","","90","","353.862","","","","","","","","","","","","origin of crystal not given","5","P 1 21/a 1","-P 2yab","14","","","Datolite","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Pavlov, P. V.; Belov, N. V.","The structures of herderite, datolite and gadolinite determined by direct methods","Soviet Physics Crystallography","1959","4","","300","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011837","9.8","","7.68","","4.8","","90","","90.1","","90","","361.267","","","","","","","","","","","","not given, but the crystal was natural","5","P 1 21/a 1","-P 2yab","14","","","Herderite","- Be Ca F O4 P -","- Be Ca F O4 P -","- Be4 Ca4 F4 O16 P4 -","4","1","","Pavlov, P. V.; Belov, N. V.","The structures of herderite, datolite and gadolinite determined by direct methods","Soviet Physics Crystallography","1959","4","","300","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011848","13.28","","6.96","","6.74","","90","","75.75","","90","","603.802","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Kasolite","- O6 Pb Si U -","- O6 Pb Si U -","- O24 Pb4 Si4 U4 -","4","1","","Mokeeva, V. I.","The crystal structure of kasolite","Soviet Physics Crystallography","1965","9","","621","622","10.1070/PU1967v009n04ABEH003016","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011879","9.888","","7.607","","4.74","","90","","90.45","","90","","356.522","","","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","Hingganite-(Y)","- Be2 Ca0.26 Fe0.065 H2 O10 Si2 Y1.02 Yb0.72 -","- Be2 Ca0.26 Fe0.065 H2 O10 Si2 Y1.02 Yb0.72 -","- Be4 Ca0.52 Fe0.13 H4 O20 Si4 Y2.04 Yb1.44 -","2","0.5","","Yakubovich, O. V.; Matvienko, E. N.; Voloshin, A. V.; Simonov, M. A.","The crystal structure of hingganite-(Yb), (Y0.51TR0.36Ca0.13)*Fe0.065Be[SiO4](OH) Locality: amazonite pegmatites, Kola peninsula, Russia","Soviet Physics Crystallography","1983","28","","269","271","","","","","","","","","","","","","","","","","","","","","","has coordinates","287550","2023-11-11","17:51:30",""
"9011913","15.36","","7.285","","7.084","","90","","95.4","","90","","789.165","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Wollastonite-2M","- Ca O3 Si -","- Ca O3 Si -","- Ca12 O36 Si12 -","12","3","","Mamedov, K. S.; Belov, N. V.","The crystal structure of wollastonite","Doklady Akademii Nauk SSSR","1956","107","","463","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011957","10.83","","9.98","","7.174","","90","","108.1","","90","","737.021","","","","","","","","","","","","Langesund, Norway","11","P 1 21/a 1","-P 2yab","14","","","Lavenite","- Ca0.74 F Fe0.22 Mg0.01 Mn0.32 Na1.5 Nb0.14 O8 Si2 Ti0.16 Zr0.91 -","- Ca0.74 F Fe0.22 Mg0.01 Mn0.32 Na1.5 Nb0.14 O8 Si2 Ti0.16 Zr0.91 -","- Ca2.96 F4 Fe0.88 Mg0.04 Mn1.28 Na6 Nb0.56 O32 Si8 Ti0.64 Zr3.64 -","4","1","","Mellini, M.","Refinement of the crystal structure of lavenite","Tschermaks Mineralogische und Petrographische Mitteilungen","1981","28","","99","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011959","11.458","","5.052","","8.84","","90","","108.91","","90","","484.093","","","","","","","","","","","","Synthetic","6","P 1 21/a 1","-P 2yab","14","","","Reinhardbraunsite","- Ca5 F0.97 H1.26 O9.26 P0.04 Si1.96 -","- Ca5 F0.97 H1.26 O9.26 P0.04 Si1.96 -","- Ca10 F1.94 H2.52 O18.52 P0.08 Si3.92 -","2","0.5","","Kirfel, A.; Hamm, H. M.; Will, G.","The crystal structure of reinhardbraunsite, Ca5(SiO4)2(OH,F)2, a new mineral of the calcio-chondrodite type","Tschermaks Mineralogische und Petrographische Mitteilungen","1983","31","","137","150","10.1007/BF01084766","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012086","10.599","","8.093","","10.085","","90","","103.42","","90","","841.447","","","","","","","","","","","","Shinkolobwe, Zaire","5","P 1 21/a 1","-P 2yab","14","","","Sengierite","- Cu H7 O10 U V -","- Cu H7 O10 U V -","- Cu4 H28 O40 U4 V4 -","4","1","","Piret, P.; Declercq, J. P.; Wauters-Stoop D","Structure cristalline de la sengierite","Bulletin de Mineralogie","1980","103","","176","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012093","10.6","","8.92","","7.89","","90","","119.6","","90","","648.657","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Rankinite","- Ca3 O7 Si2 -","- Ca3 O7 Si2 -","- Ca12 O28 Si8 -","4","1","","Kusachi, I.; Henmi, C.; Kawahara, A.; Henmi, K.","The structure of rankinite","Mineralogical Journal","1975","8","","38","47","10.2465/minerj.8.38","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012094","10.557","","8.885","","7.858","","90","","119.586","","90","","640.969","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Rankinite","- Ca3 O7 Si2 -","- Ca3 O7 Si2 -","- Ca12 O28 Si8 -","4","1","","Saburi, S.; Kusachi, I.; Henmi, C.; Kawahara, A.; Henmi, K.; Kawada, I.","Refinement of the structure of rankinite","Mineralogical Journal","1976","8","","240","246","10.2465/minerj.8.240","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012199","9.784","","7.659","","4.808","","90","","90.05","","90","","360.29","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Hydroxyl-herderite","- Be Ca H O5 P -","- Be Ca H O5 P -","- Be4 Ca4 H4 O20 P4 -","4","1","","Long, Y.","The synthesis and structure of a beryllophosphate crystal with an open framework Locality: synthetic","Journal of Solid State Chemistry","1992","101","","199","201","10.1016/0022-4596(92)90217-J","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:21",""
"9012244","9.406","","9.881","","8.612","","90","","90.58","","90","","800.364","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Ga H4 N O8 P2 Zn -","- Ga H4 N O8 P2 Zn -","- Ga4 H16 N4 O32 P8 Zn4 -","4","1","","Logar, N. Z.; Mrak, M.; Kaucic, V.","Syntheses and structures of two ammonium zinc gallophosphates: analcime and paracelsian analogs Sample: Paracelsian analog","Journal of Solid State Chemistry","2001","156","","480","486","10.1006/jssc.2000.9027","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012522","7.2349","","12.686","","8.6548","","90","","98.439","","90","","785.754","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Bearsite","- As Be2 H9 O9 -","- As Be2 H9 O9 -","- As4 Be8 H36 O36 -","4","1","","Harrison, W. T. A.; Nenoff, T. M.; Gier, T. E.; Stucky, G. D.","Tetrahedral-atom 3-ring groupings in 1-dimensional inorganic chains: Be2AsO4OH*4H2O and Na2ZnPO4OH*7H2O","Inorganic Chemistry","1993","32","","2437","2441","10.1021/ic00063a039","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012523","6.4212","","21.612","","8.6813","","90","","109.899","","90","","1132.82","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- H15 Na2 O12 P Zn -","- H15 Na2 O12 P Zn -","- H60 Na8 O48 P4 Zn4 -","4","1","","Harrison, W. T. A.; Nenoff, T. M.; Gier, T. E.; Stucky, G. D.","Tetrahedral-atom 3-ring groupings in 1-dimensional inorganic chains: Be2AsO4OH*4H2O and Na2ZnPO4OH*7H2O","Inorganic Chemistry","1993","32","","2437","2441","10.1021/ic00063a039","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:09",""
"9012563","16.756","","3.6391","","8.023","","90","","111.18","","90","","456.17","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Munirite","- H3.78 Na O4.89 V -","- H2.89 Na O4.89 V -","- H11.56 Na4 O19.56 V4 -","4","1","","Bjornberg, A.; Hedman, B.","The crystal structure of NaVO3*1.89H2O Note: one of the H atoms could not be found","Acta Chemica Scandinavica A","1977","31","","579","584","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9012623","8.386","","8.142","","7.249","","90","","98.33","","90","","489.731","","","","","","","","","","","","Belgrade, Serbia, Yugoslavia","4","P 1 21/a 1","-P 2yab","14","","","Jarandolite","- B3 Ca H3 O7 -","- B3 Ca H3 O7 -","- B12 Ca4 H12 O28 -","4","1","","Yamnova, N. A.; Egorov-Tismenko Y K; Malinko, S. V.; Pushcharovskii, D. Y.; Dorokhova, G. I.","Crystal structure of a new natural calcium hydroborate Ca[B3O4(OH)3]","Crystallography Reports","1994","39","","991","993","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012780","9.066","","12.13","","6.149","","90","","104.4","","90","","654.965","","","","","","","","","","","","Synthetic","5","P 1 21/a 1","-P 2yab","14","","","Cyanochroite","- Cu H12 K2 O14 S2 -","- Cu H12 K2 O14 S2 -","- Cu2 H24 K4 O28 S4 -","2","0.5","","Robinson, D. J.; Kennard, C. H. L.","Potassium hexa-aquacopper(II) sulfate, CuH12K2O14S2 (neutron)","Crystal Structure Communications","1972","1","","185","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013113","13.983","","5.6722","","11.996","","90","","114.215","","90","","867.739","","","","","","","","","","","","Itoigawa, Niigata Prefecture, Japan","8","P 1 21/a 1","-P 2yab","14","","","Rengeite","- Al0.1 Ce0.158 Fe0.2 O22 Si4 Sr3.842 Ti3.7 Zr -","- Al0.1 Ce0.158 Fe0.2 O22 Si4 Sr3.842 Ti3.7 Zr -","- Al0.2 Ce0.316 Fe0.4 O44 Si8 Sr7.684 Ti7.4 Zr2 -","2","0.5","","Miyawaki, R.; Matsubara, S.; Miyajima, H.","The crystal structure of rengeite, Sr4ZrTi4(Si2O7)2O8 Sample: P2_1/a refinement","Journal of Mineralogical and Petrological Sciences","2002","97","","7","12","10.2465/jmps.97.7","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013144","13.4656","","5.7356","","11.0977","","90","","100.636","","90","","842.386","","","","","","","","","","","","Bayun Obo, Inner Mongolia, China","9","P 1 21/a 1","-P 2yab","14","","","Dingdaohengite-(Ce)","- Ca0.44 Ce2.1 Fe1.72 La1.46 Mg0.4 Nb0.04 O22 Si4 Ti2.84 -","- Ca0.44 Ce2.1 Fe1.72 La1.46 Mg0.4 Nb0.04 O22 Si4 Ti2.84 -","- Ca0.88 Ce4.2 Fe3.44 La2.92 Mg0.8 Nb0.08 O44 Si8 Ti5.68 -","2","0.5","","Li, G.; Yang, G.; Ma, Z.; Shi, N.; Xiong, M.; Sheng, G.; Fan, H.","The crystal structure of a new mineral dingdaohengite-(Ce)","Kuangwu Xuebao","2005","25","","313","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013172","9.7446","","7.6769","","4.7633","","90","","90.667","","90","","356.31","","","","","","","","","","","","Mogok Stone Tract, Myanmar","6","P 1 21/a 1","-P 2yab","14","","","Herderite","- Be Ca F0.776 H0.224 O4.224 P -","- Be Ca F0.776 O4.224 P -","- Be4 Ca4 F3.104 O16.896 P4 -","4","1","","Harlow, G. E.; Hawthorne, F. C.","Herderite from Mogok, Myanmar, and comparison with hydroxyl-herderite from Ehrenfriedersdorf, Germany Note: 108370","American Mineralogist","2008","93","","1545","1549","10.2138/am.2008.2943","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9013173","9.7615","","7.668","","4.7853","","90","","90.184","","90","","358.184","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","Herderite","- Be Ca F0.515 H0.485 O4.485 P -","- Be Ca F0.515 O4.485 P -","- Be4 Ca4 F2.06 O17.94 P4 -","4","1","","Harlow, G. E.; Hawthorne, F. C.","Herderite from Mogok, Myanmar, and comparison with hydroxyl-herderite from Ehrenfriedersdorf, Germany Locality: Sauberg mine, Morgenrother Zug, Ehrenfriedersdorf, Germany Note: 20517 Note: Occupancies derived from X-ray diffraction analysis","American Mineralogist","2008","93","","1545","1549","10.2138/am.2008.2943","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9013174","9.7615","","7.668","","4.7853","","90","","90.184","","90","","358.184","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","Hydroxylherderite","- Be Ca F0.48 H0.52 O4.52 P -","- Be Ca F0.48 O4.52 P -","- Be4 Ca4 F1.92 O18.08 P4 -","4","1","","Harlow, G. E.; Hawthorne, F. C.","Herderite from Mogok, Myanmar, and comparison with hydroxyl-herderite from Ehrenfriedersdorf, Germany Locality: Sauberg mine, Morgenrother Zug, Ehrenfriedersdorf, Germany Note: 20517 Note: Occupancies derived from electron-microprobe analysis","American Mineralogist","2008","93","","1545","1549","10.2138/am.2008.2943","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9013404","12.265","","13.197","","9.7385","","90","","108.63","","90","","1493.69","","","","1063","","","","2500000","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Wolfeite","- Fe2 H O5 P -","- Fe2 H O5 P -","- Fe32 H16 O80 P16 -","16","4","","Hatert, F.","Fe2(PO4)(OH), a synthetic analogue of wolfeite Sample: T = 1063 K, P = 2.5 GPa","Acta Crystallographica, Section C","2007","63","","i119","i121","10.1107/S0108270107053462","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013489","11.286","","14.438","","9.957","","90","","125.4","","90","","1322.52","","","","","","","","","","","","Bekily, Madagasgar","4","P 1 21/a 1","-P 2yab","14","","","Sapphirine","- Al5.655 Mg2.39 O10 Si1.455 -","- Al5.655 Mg2.39 O10 Si1.455 -","- Al45.24 Mg19.12 O80 Si11.64 -","8","2","","Higgins, J. B.; Ribbe, P. H.","A neutron and x-ray diffraction study of (Mg-Al)VI and (Si-Al)IV ordering monoclinic sapphirine Locality: Bekily, Madagasgar Note: Data from neutron, known as sapphirine II","Contributions to Mineralogy and Petrology","1979","68","","357","368","10.1007/BF01164520","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9013490","11.286","","14.438","","9.957","","90","","125.4","","90","","1322.52","","","","","","","","","","","","Bekily, Madagasgar","4","P 1 21/a 1","-P 2yab","14","","","Sapphirine","- Al5.655 Mg2.39 O10 Si1.455 -","- Al5.655 Mg2.39 O10 Si1.455 -","- Al45.24 Mg19.12 O80 Si11.64 -","8","2","","Higgins, J. B.; Ribbe, P. H.","A neutron and x-ray diffraction study of (Mg-Al)VI and (Si-Al)IV ordering monoclinic sapphirine Locality: Bekily, Madagasgar Note: Data from x-ray diffraction, known as sapphirine II","Contributions to Mineralogy and Petrology","1979","68","","357","368","10.1007/BF01164520","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9013501","9.0954","","12.2484","","6.1335","","90","","104.88","","90","","660.383","","","","","","","","","","","","Synthetic","5","P 1 21/a 1","-P 2yab","14","","","Picromerite","- H12 K2 Mg O14 S2 -","- H12 K2 Mg O14 S2 -","- H24 K4 Mg2 O28 S4 -","2","0.5","","Bosi, F.; Belardi, G.; Ballirano, P.","Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2, with M2+= Mg, Fe, Co, Ni, Cu, and Zn","American Mineralogist","2009","94","","74","82","10.2138/am.2009.2898","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013502","9.0822","","12.2786","","6.1765","","90","","104.568","","90","","666.638","","","","","","","","","","","","Synthetic","5","P 1 21/a 1","-P 2yab","14","","","","- Fe H12 K2 O14 S2 -","- Fe H12 K2 O14 S2 -","- Fe2 H24 K4 O28 S4 -","2","0.5","","Bosi, F.; Belardi, G.; Ballirano, P.","Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2, with M2+= Mg, Fe, Co, Ni, Cu, and Zn","American Mineralogist","2009","94","","74","82","10.2138/am.2009.2898","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013503","9.0609","","12.2156","","6.1586","","90","","104.839","","90","","658.927","","","","","","","","","","","","Synthetic","5","P 1 21/a 1","-P 2yab","14","","","","- Co H12 K2 O14 S2 -","- Co H12 K2 O14 S2 -","- Co2 H24 K4 O28 S4 -","2","0.5","","Bosi, F.; Belardi, G.; Ballirano, P.","Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2, with M2+= Mg, Fe, Co, Ni, Cu, and Zn","American Mineralogist","2009","94","","74","82","10.2138/am.2009.2898","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013504","9.0049","","12.1904","","6.1368","","90","","105.047","","90","","650.559","","","","","","","","","","","","Synthetic","5","P 1 21/a 1","-P 2yab","14","","","","- H12 K2 Ni O14 S2 -","- H12 K2 Ni O14 S2 -","- H24 K4 Ni2 O28 S4 -","2","0.5","","Bosi, F.; Belardi, G.; Ballirano, P.","Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2, with M2+= Mg, Fe, Co, Ni, Cu, and Zn","American Mineralogist","2009","94","","74","82","10.2138/am.2009.2898","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013505","9.0851","","12.1302","","6.1674","","90","","104.45","","90","","658.172","","","","","","","","","","","","Synthetic","5","P 1 21/a 1","-P 2yab","14","","","Cyanochroite","- Cu H12 K2 O14 S2 -","- Cu H12 K2 O14 S2 -","- Cu2 H24 K4 O28 S4 -","2","0.5","","Bosi, F.; Belardi, G.; Ballirano, P.","Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2, with M2+= Mg, Fe, Co, Ni, Cu, and Zn","American Mineralogist","2009","94","","74","82","10.2138/am.2009.2898","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013506","9.0449","","12.2213","","6.1592","","90","","104.775","","90","","658.328","","","","","","","","","","","","Synthetic","5","P 1 21/a 1","-P 2yab","14","","","","- H12 K2 O14 S2 Zn -","- H12 K2 O14 S2 Zn -","- H24 K4 O28 S4 Zn2 -","2","0.5","","Bosi, F.; Belardi, G.; Ballirano, P.","Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2, with M2+= Mg, Fe, Co, Ni, Cu, and Zn","American Mineralogist","2009","94","","74","82","10.2138/am.2009.2898","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013686","11.44637","","5.05135","","8.85234","","90","","108.863","","90","","484.352","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Kumtyubeite","- Ca5 F1.4 H0.6 O8.6 Si2 -","- Ca5 F1.4 H0.6 O8.6 Si2 -","- Ca10 F2.8 H1.2 O17.2 Si4 -","2","0.5","","Galuskina, I. O.; Lazic, B.; Armbruster, T.; Galuskin, E. V.; Gazeev, V. M.; Zadov, A. E.; Pertsev, N. N.; Jezak, L.; Wrzalik, R.; Gurbanov, A. G.","Kumtyubeite Ca5(SiO4)2F2 - A new calcium mineral of the humite group from Northern Caucasus, Kabardino-Balkaria, Russia Locality: Northern Caucasus, Kabardino-Balkaria, Russia","American Mineralogist","2009","94","","1361","1370","10.2138/am.2009.3256","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013687","11.4542","","5.0618","","8.8917","","90","","108.77","","90","","488.114","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Reinhardbraunsite","- Ca5 F0.606 H1.394 O9.394 Si2 -","- Ca5 F0.606 H1.394 O9.394 Si2 -","- Ca10 F1.212 H2.788 O18.788 Si4 -","2","0.5","","Galuskina, I. O.; Lazic, B.; Armbruster, T.; Galuskin, E. V.; Gazeev, V. M.; Zadov, A. E.; Pertsev, N. N.; Jezak, L.; Wrzalik, R.; Gurbanov, A. G.","Kumtyubeite Ca5(SiO4)2F2 - A new calcium mineral of the humite group from Northern Caucasus, Kabardino-Balkaria, Russia Locality: Northern Caucasus, Kabardino-Balkaria, Russia","American Mineralogist","2009","94","","1361","1370","10.2138/am.2009.3256","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013889","10.45","","4.65","","9.25","","90","","90","","90","","449.481","","","","","","","","","","","","Ashio, Japan","4","P 1 21/a 1","-P 2yab","14","","","Ludlamite","- Fe3 H8 O12 P2 -","- Fe3 H8 O12 P2 -","- Fe6 H16 O24 P4 -","2","0.5","","Ito, T.; Mori, H.","The crystal structure of ludlamite","Acta Crystallographica","1951","4","","412","416","10.1107/S0365110X51001367","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013940","9.888","","7.607","","4.74","","90","","90.45","","90","","356.522","","","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","Hingganite-(Yb)","- Be2 Ca0.26 Fe0.13 H2 O10 Si2 Y1.02 Yb0.72 -","- Be2 Ca0.26 Fe0.13 H2 O10 Si2 Y1.02 Yb0.72 -","- Be4 Ca0.52 Fe0.26 H4 O20 Si4 Y2.04 Yb1.44 -","2","0.5","","Yakubovich, O. V.; Matvinenko, E. N.; Voloshin, A. V.; Simonov, M. A.","The crystal structure of hingganite-(Yb), (Y0.51Yb0.36Ca0.13)Fe0.065Be[SiO4](OH)","Kristallografiya","1983","28","","457","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","287550","2023-11-11","17:51:30",""
"9014064","9.11","","20.82","","11.59","","90","","90.46","","90","","2198.21","","","","","","","","","","","","Iglesiente area, Sardinia, Italy","5","P 1 21/a 1","-P 2yab","14","","","Leadhillite","- C2 H2 O12 Pb4 S -","- C2 H2 O12 Pb4 S -","- C16 H16 O96 Pb32 S8 -","8","2","","Giuseppetti, G.; Mazzi, F.; Tadini, C.","The crystal structure of leadhillite: Pb4(SO4)(CO3)2(OH)2","Neues Jahrbuch fur Mineralogie, Monatshefte","1990","1990","","255","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014132","13.947","","15.465","","6.626","","90","","91.399","","90","","1428.74","","","","","","","","","","","","Transbaikal region, Russia","5","P 1 21/a 1","-P 2yab","14","","","Uranophane-beta","- Ca H12 O17 Si2 U2 -","- Ca H12 O17 Si2 U2 -","- Ca4 H48 O68 Si8 U8 -","4","1","","Barinova, A. V.; Rastsvetaeva, R. K.; Sidorenko, G. A.; Verin, I. A.","Crystal structure of beta-uranophane from the Transbaikal region and its relation to the structure of the alpha modification","Crystallography Reports","2003","48","","12","15","10.1134/1.1541735","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014250","21.554","","23.454","","8.079","","90","","100.76","","90","","4012.35","","","","","","","","","","","","Synthetic","3","P 1 21/a 1","-P 2yab","14","","","Boulangerite","- Pb10.159 S22 Sb7.841 -","- Pb10.159 S22 Sb7.841 -","- Pb40.636 S88 Sb31.364 -","4","1","","Kaden, R.; Wagner, G.; Bente, K.","Crystal chemistry and electrical conductivity of boulangerite, dadsonite and iodine-substituted pillaite grown by chemical vapor transport","The Canadian Mineralogist","2012","50","","219","233","10.3749/canmin.50.2.219","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9014275","10.432","","10.163","","7.356","","90","","90.96","","90","","779.777","","","","","","","","","","","","Fuka, Okayama Prefecture, Japan","5","P 1 21/a 1","-P 2yab","14","","","Baghdadite","- Ca3 O9 Si2 Ti0.14 Zr0.86 -","- Ca3 O9 Si2 Ti0.14 Zr0.86 -","- Ca12 O36 Si8 Ti0.56 Zr3.44 -","4","1","","Biagioni, C.; Bonaccorsi, E.; Perchiazzi, N.; Merlino, S.","Single crystal refinement of the structure of baghdadite from Fuka (Okayama Prefecture, Japan)","Periodico di Mineralogia","2010","79","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014318","10.8475","","9.9364","","7.1488","","90","","108.392","","90","","731.175","","","","","","","","","","","","the nepheline syenites of the Los Archipelago, Guinea","8","P 1 21/a 1","-P 2yab","14","","","Lavenite","- Ca0.82 F1.25 Mn0.79 Na1.18 O7.75 Si2 Ti0.477 Zr0.733 -","- Ca0.82 F1.25 Mn0.79 Na1.18 O7.75 Si2 Ti0.477 Zr0.733 -","- Ca3.28 F5 Mn3.16 Na4.72 O31 Si8 Ti1.908 Zr2.932 -","4","1","","Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N.","Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea","The Canadian Mineralogist","2012","50","","593","609","10.3749/canmin.50.3.593","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014475","13.3689","","7.1607","","7.1027","","90","","105.935","","90","","653.819","","","","","","","","","","","","Synthetic","3","P 1 21/a 1","-P 2yab","14","","","Chervetite","- O7 Pb2 V2 -","- O7 Pb2 V2 -","- O28 Pb8 V8 -","4","1","","Shannon, R. D.; Calvo, C.","Refinement of the crystal structure of synthetic chervetite, Pb2V2O7","Canadian Journal of Chemistry","1973","51","","70","76","10.1139/v73-010","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014545","15.1725","","5.6283","","3.711","","90","","104.631","","90","","306.626","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite","- C H K O3 -","- C H K O3 -","- C4 H4 K4 O12 -","4","1","","Thomas, J. O.; Tellgren, R.; Olovsson, I.","Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 298 K","Acta Crystallographica, Section B","1974","30","","1155","1166","10.1107/S0567740874004481","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014660","15.1948","","5.6307","","3.7107","","90","","104.567","","90","","307.272","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite","- C D K O3 -","- C D K O3 -","- C4 D4 K4 O12 -","4","1","","Thomas, J. O.; Tellgren, R.; Olovsson, I.","Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 298 K","Acta Crystallographica, Section B","1974","30","","1155","1166","10.1107/S0567740874004481","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014716","5.555","","6.671","","6.127","","90","","114.88","","90","","205.978","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Belloite","- Cl Cu H O -","- Cl Cu H O -","- Cl4 Cu4 H4 O4 -","4","1","","Effenberger, H.","Verfeinerung der Kristallstruktur von Kupfer(II)-hydroxichlorid, Cu(OH)Cl","Monatshefte fur Chemie","1984","115","","725","730","10.1007/BF01120967","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014766","13.947","","15.465","","6.626","","90","","91.3","","90","","1428.8","","","","","","","","","","","","Streltsovkii ore field, Transbaikal region, Russia","5","P 1 21/a 1","-P 2yab","14","","","Uranophane-beta","- Ca H12 O17 Si2 U2 -","- Ca H10 O17 Si2 U2 -","- Ca4 H40 O68 Si8 U8 -","4","1","","Barinova, A. V.; Rastsvetaeva, R. K.; Sidorenko, G. A.; Verin, I. A.","Crystal structure of beta-uranophane from the Transbaikal region and its relation to the structure of the a modification","Crystallography Reports","2003","48","","12","15","10.1134/1.1541735","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:52",""
"9014823","12.8976","","9.3705","","3.1623","","90","","110.262","","90","","358.536","","","","","","","","","","","","Ojuela mine, Durango, Mexico","5","P 1 21/a 1","-P 2yab","14","","","Rosasite","- C H2 Cu1.2 O5 Zn0.8 -","- C H2 Cu1.2 O5 Zn0.8 -","- C4 H8 Cu4.8 O20 Zn3.2 -","4","1","","Perchiazzi, N.","Crystal structure determination and Rietveld refinement of rosasite and mcguinnessite","Zeitschrift fur Kristallographie Supplement","2006","23","","505","510","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014844","15.17","","5.6183","","3.6885","","90","","104.297","","90","","304.633","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite","- C D K O3 -","- C D K O3 -","- C4 D4 K4 O12 -","4","1","","Thomas, J. O.; Tellgren, R.; Olovsson, I.","Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 219 K","Acta Crystallographica, Section B","1974","30","","1155","1166","10.1107/S0567740874004481","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014998","12.9181","","9.3923","","3.1622","","90","","111.233","","90","","357.626","","","","","","","","","","","","Red Mountain, California, USA","5","P 1 21/a 1","-P 2yab","14","","","Mcguinnessite","- C H2 Cu0.94 Mg1.06 O5 -","- C H2 Cu0.94 Mg1.06 O5 -","- C4 H8 Cu3.76 Mg4.24 O20 -","4","1","","Perchiazzi, N.","Crystal structure determination and Rietveld refinement of rosasite and mcguinnessite","Zeitschrift fur Kristallographie Supplement","2006","23","","505","510","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015011","8.643","","9.523","","3.567","","90","","119.23","","90","","256.206","","","","","","","","","","","","Fuka, Okayama, Japan","4","P 1 21/a 1","-P 2yab","14","","","Sibirskite","- B Ca H O3 -","- B Ca H O3 -","- B4 Ca4 H4 O12 -","4","1","","Miura, H.; Kusachi, I.","Crystal structure of sibirskite (CaHBO3) by Monte Carlo simulation and Rietveld refinement","Journal of Mineralogical and Petrological Sciences","2008","103","","156","160","10.2465/jmps.071022g","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015135","10.8044","","9.7945","","7.0532","","90","","108.056","","90","","709.639","","","","","","","","","","","","the nepheline syenites of the Los Archipelago, Guinea","8","P 1 21/a 1","-P 2yab","14","","","Normandite","- Ca0.824 F Mn0.725 Na1.176 O8 Si2 Ti1.075 Zr0.2 -","- Ca0.824 F Mn0.725 Na1.176 O8 Si2 Ti1.075 Zr0.2 -","- Ca3.296 F4 Mn2.9 Na4.704 O32 Si8 Ti4.3 Zr0.8 -","4","1","","Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N.","Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea","The Canadian Mineralogist","2012","50","","593","609","10.3749/canmin.50.3.593","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015426","10.54","","9.9","","7.14","","90","","108.2","","90","","707.758","","","","","","","","","","","","the Lovozero alkaline massif, Kola Peninsula, Russia","10","P 1 21/a 1","-P 2yab","14","","","Lavenite","- Ca0.99 F Fe0.31 Mn0.33 Na1.25 Nb0.09 O8 Si2 Ti0.26 Zr0.73 -","- Ca0.99 F Fe0.31 Mn0.33 Na1.25 Nb0.09 O8 Si2 Ti0.26 Zr0.73 -","- Ca3.96 F4 Fe1.24 Mn1.32 Na5 Nb0.36 O32 Si8 Ti1.04 Zr2.92 -","4","1","","Simonov, V. I.; Belov, N. V.","Crystal structure of lavenite","Doklady Akademii Nauk SSSR","1960","130","","1333","1336","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9015591","15.262","","5.033","","7.457","","90","","107.34","","90","","546.767","","","","","","","","","","","","Synthetic","3","P 1 21/a 1","-P 2yab","14","","","","- Li Nb3 O8 -","- Li Nb3 O8 -","- Li4 Nb12 O32 -","4","1","","Lundberg, M.","The crystal structure of LiNb3O8 Note: isostructural with lithiotantite","Acta Chemica Scandinavica","1971","25","","3337","3346","10.3891/acta.chem.scand.25-3337","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015871","7.122","","8.842","","6.771","","90","","93.26","","90","","425.698","","","","","","","","","","","","Synthetic","3","P 1 21/a 1","-P 2yab","14","","","Clinometaborite","- B H O2 -","- B H O2 -","- B12 H12 O24 -","12","3","","Zachariasen, W. H.","The crystal structure of monoclinic metaboric acid","Acta Crystallographica","1963","16","","385","389","10.1107/S0365110X6300102X","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9015957","14.36","","8.198","","9.93","","90","","113.92","","90","","1068.59","","","","","","","","","","","","Jenifer mine, Kramer borate district, California, USA","4","P 1 21/a 1","-P 2yab","14","","","Tunellite","- B6 H8 O14 Sr -","- B6 H8 O14 Sr -","- B24 H32 O56 Sr4 -","4","1","","Clark, J. R.","Boron-oxygen polyanion in the crystal structure of tunellite","Science","1963","141","","1178","1179","10.1126/science.141.3586.1178","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9015998","14.546","","15.211","","9.86","","90","","105.12","","90","","2106.09","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- K Mn2 O24 P5 -","- K Mn2 O24 P5 -","- K4 Mn8 O96 P20 -","4","1","","Schuelke, U.; Averbuch-Pouchot M","Preparation and crystal structure of potassium manganese cyclodecaphosphate octadecahydrate: K2Mn4P10O30*18H2O _cod_database_code 1008657","Zeitschrift fur Anorganische und Allgemeine Chemie","1994","620","","545","550","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016039","15.115","","5.6044","","3.6609","","90","","103.98","","90","","300.931","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite","- C H K O3 -","- C H K O3 -","- C4 H4 K4 O12 -","4","1","","Thomas, J. O.; Tellgren, R.; Olovsson, I.","Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 95 K Note z-coordinate of O3 has been modified with a negative sign","Acta Crystallographica, Section B","1974","30","","1155","1166","10.1107/S0567740874004481","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016135","7.127","","8.842","","6.773","","90","","93.21","","90","","426.144","","","","","","","","","","","","La Fossa Crater, Vulcano, Aeolian Islands, Italy","3","P 1 21/a 1","-P 2yab","14","","","Clinometaborite","- B H O2 -","- B H O2 -","- B12 H12 O24 -","12","3","","Demartin, F.; Gramaccioli, C. M.; Campostrini, I.","Clinometaborite, natural beta-metaboric acid, from La Fossa Crater, Vulcano, Aeolian Islands, Italy","The Canadian Mineralogist","2011","49","","1273","1279","10.3749/canmin.49.5.1273","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016214","21.554","","23.454","","8.079","","90","","100.76","","90","","4012.35","","","","","","","","","","","","Bottino mine, Apuan Alps, Italy","3","P 1 21/a 1","-P 2yab","14","","","Boulangerite","- Pb10.15 S22 Sb7.85 -","- Pb10.15 S22 Sb7.85 -","- Pb40.6 S88 Sb31.4 -","4","1","","Ventruti, G.; Stasi, F.; Pinto, D.; Vurro, F.; Renna, M.","The plumose boulangerite from Bottino, Apuan Alps, Italy: Crystal structure, OD character and twinning Note: MDO1 polytype","The Canadian Mineralogist","2012","50","","181","199","10.3749/canmin.50.2.181","","","","","","","","","","","","","","","","","","","","","has coordinates","294032","2024-08-07","19:11:21",""
"9016243","13.668","","5.6601","","11.743","","90","","113.64","","90","","832.229","","","","","","","","","","","","Dellen pumice quarry, Eifel Mountains, Rhineland-Palatinate, Germany","9","P 1 21/a 1","-P 2yab","14","","","Perrierite-(La)","- Al0.5 Ca0.6 Fe La3.4 Mn0.5 Nb0.5 O22 Si4 Ti2.5 -","- Al0.5 Ca0.6 Fe La3.4 Mn0.5 Nb0.5 O22 Si4 Ti2.5 -","- Al Ca1.2 Fe2 La6.8 Mn Nb O44 Si8 Ti5 -","2","0.5","","Chukanov, N. V.; Blass, G.; Pekov, I. V.; Belakovskiy, D. I.; Van, K. V.; Rastsvetaeva, R. K.; Aksenov, S. M.","Perrierite-(La) (La,Ce,Ca)4Fe2+(Ti,Fe)4(Si2O7)2O8 - a new mineral species from volcanic region Eifel, Germany","Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva","2011","140","","34","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016304","15.1538","","5.6186","","3.6868","","90","","104.356","","90","","304.104","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite","- C H K O3 -","- C H K O3 -","- C4 H4 K4 O12 -","4","1","","Thomas, J. O.; Tellgren, R.; Olovsson, I.","Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 219 K","Acta Crystallographica, Section B","1974","30","","1155","1166","10.1107/S0567740874004481","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016396","9.883","","7.6091","","4.7423","","90","","90.342","","90","","356.618","","","","","","","","","","","","Tahara, Hirukawa-mura, Gifu Prefecture, Japan","7","P 1 21/a 1","-P 2yab","14","","","Hingganite-(Y)","- Be2 Ca0.3 Dy0.4 Fe0.242 O10 Si2 Y1.3 -","- Be2 Ca0.3 Dy0.4 Fe0.242 O10 Si2 Y1.3 -","- Be4 Ca0.6 Dy0.8 Fe0.484 O20 Si4 Y2.6 -","2","0.5","","Miyawaki, R.; Matsubara, S.; Yokoyama, K.; Okamoto, A.","Hingganite-(Ce) and hingganite-(Y) from Tahara, Hirukawa-mura, Gifu Prefecture, Japan: The description on a new mineral species of the Ce-analogue of hingannite-(Y) with a refinement of the crystal structure of hingganite-(Y)","Journal of Mineralogical and Petrological Sciences","2007","102","","1","7","10.2465/jmps.051212","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016501","15.1311","","5.6054","","3.6644","","90","","103.953","","90","","301.629","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite","- C D K O3 -","- C D K O3 -","- C4 D4 K4 O12 -","4","1","","Thomas, J. O.; Tellgren, R.; Olovsson, I.","Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 95 K","Acta Crystallographica, Section B","1974","30","","1155","1166","10.1107/S0567740874004481","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016521","13.1117","","9.8654","","6.0307","","90","","103.255","","90","","759.302","","","","","","","","","","","","Douglas Hill mine, Yerington, Nevada, USA","4","P 1 21/a 1","-P 2yab","14","","","Brochantite","- Cu4 H6 O10 S -","- Cu4 O10 S -","- Cu16 O40 S4 -","4","1","","Mills, S. J.; Kampf, A. R.; Pasero, M.; Merlino, S.","Discreditation of ''orthobrochantite'' (IMA 78-64) as the MDO1 polytype of brochantite Note: This is the MDO1 polytype of brochanite, that used to be called orthobrochantite","European Journal of Mineralogy","2010","22","","453","457","10.1127/0935-1221/2010/0022-2029","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016746","9.8275","","10.2244","","7.5322","","90","","103.18","","90","","736.901","","","","","","","","","","","","Arakawa mine, Japan","5","P 1 21/a 1","-P 2yab","14","","","Veszelyite","- Cu1.77 H7 O9 P Zn1.23 -","- Cu1.77 H7 O9 P Zn1.23 -","- Cu7.08 H28 O36 P4 Zn4.92 -","4","1","","Ghose, S.; Leo, S. R.; Wan, C.","Structural chemistry of copper and zinc minerals. Part I. Veszelyite, (Cu,Zn)2ZnPO4(OH)3*2H2O: A novel type of sheet structure and crystal chemistry of copper-zinc substitution","American Mineralogist","1974","59","","573","581","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017233","12.5","","9.5","","3.2","","90","","97.6","","90","","376.662","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Chukanovite","- C H2 Fe2 O5 -","- C H2 Fe2 O5 -","- C4 H8 Fe8 O20 -","4","1","","Pignatelli, I.; Mugnaioli, E.; Mosser-Ruck R; Barres, O.; Kolb, U.; Michau, N.","A multi-technique, micrometer- to atomic-scale description of a synthetic analogue of chukanovite, Fe2(CO3)(OH)2","European Journal of Mineralogy","2014","26","","221","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017291","9.241","","12.554","","6.243","","90","","106.97","","90","","692.724","","","","","","","","","","","","Synthetic","5","P 1 21/a 1","-P 2yab","14","","","Nickelboussingaultite","- H20 N2 Ni O14 S2 -","- H20 N2 Ni O14 S2 -","- H40 N4 Ni2 O28 S4 -","2","0.5","","Montgomery, H.; Lingafelter, E. C.","The crystal structure of Tutton's salts. II. Magnesium ammonium sulfate hexahydrate and nickel ammonium sulfate hexahydrate","Acta Crystallographica","1964","17","","1478","1479","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017292","9.383","","12.669","","6.22","","90","","107.05","","90","","706.895","","","","","","","","","","","","Synthetic","5","P 1 21/a 1","-P 2yab","14","","","Boussingaultite","- H20 Mg N2 O14 S2 -","- H20 Mg N2 O14 S2 -","- H40 Mg2 N4 O28 S4 -","2","0.5","","Montgomery, H.; Lingafelter, E. C.","The crystal structure of Tutton's salts. II. Magnesium ammonium sulfate hexahydrate and nickel ammonium sulfate hexahydrate","Acta Crystallographica","1964","17","","1478","1479","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017597","11.137","","8.279","","5.5381","","90","","100.423","","90","","502.205","","","","","","","","","","","","Blue Lizard mine, San Juan County, Utah, USA","8","P 1 21/a 1","-P 2yab","14","","","Manganoblodite","- Co0.14 H8 Mg0.29 Mn0.44 Na2 Ni0.06 O12 S2 -","- Co0.14 H8 Mg0.29 Mn0.44 Na2 Ni0.06 O12 S2 -","- Co0.28 H16 Mg0.58 Mn0.88 Na4 Ni0.12 O24 S4 -","2","0.5","","Kasatkin, A. V.; Nestola, F.; Plasil, J.; Marty, J.; Belakovskiy, D. I.; Agakhanov, A. A.; Mills, S. J.; Pedron, D.; Lanza, A.; Favaro, M.; Bianchin, S.; Lykova, I. S.; Golias, V.; Birch, W. D.","Manganoblodite, Na2Mn(SO4)2*4H2O, and cobaltoblodite, Na2Co(SO4)2*4H2O: two new members of the blodite group from the Blue Lizard mine, San Juan County, Utah, USA","Mineralogical Magazine","2013","77","","367","383","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017598","11.147","","8.268","","5.5396","","90","","100.517","","90","","501.972","","","","","","","","","","","","Blue Lizard mine, San Juan County, Utah, USA","8","P 1 21/a 1","-P 2yab","14","","","Cobaltoblodite","- Co0.36 H8 Mg0.3 Mn0.17 Na2 Ni0.12 O12 S2 -","- Co0.36 H8 Mg0.3 Mn0.17 Na2 Ni0.12 O12 S2 -","- Co0.72 H16 Mg0.6 Mn0.34 Na4 Ni0.24 O24 S4 -","2","0.5","","Kasatkin, A. V.; Nestola, F.; Plasil, J.; Marty, J.; Belakovskiy, D. I.; Agakhanov, A. A.; Mills, S. J.; Pedron, D.; Lanza, A.; Favaro, M.; Bianchin, S.; Lykova, I. S.; Golias, V.; Birch, W. D.","Manganoblodite, Na2Mn(SO4)2*4H2O, and cobaltoblodite, Na2Co(SO4)2*4H2O: two new members of the blodite group from the Blue Lizard mine, San Juan County, Utah, USA","Mineralogical Magazine","2013","77","","367","383","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017664","9.7856","","7.6607","","4.8025","","90","","90.02","","90","","360.017","","","","","","","","","","","","Bennett pegmatite, Buckfield, Oxford County, Maine, USA","9","P 1 21/a 1","-P 2yab","14","","","Hydroxylherderite","- Be0.98 Ca F0.165 H0.835 Li0.01 Na0.01 O4.835 P0.98 Si0.03 -","- Be0.98 Ca F0.165 H0.835 Li0.01 Na0.01 O4.835 P0.98 Si0.03 -","- Be3.92 Ca4 F0.66 H3.34 Li0.04 Na0.04 O19.34 P3.92 Si0.12 -","4","1","","Gatta, G. D.; Jacobsen, S. D.; Vignola, P.; McIntyre, G. J.; Guastella, G.; Abate, L. F.","Single-crystal neutron diffraction and Raman spectroscopic study of hydroxylherderite, CaBePO4(OH,F)","Mineralogical Magazine","2014","78","","723","737","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""